#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 0.03 0.58 -0.18 0.11 -0.06 -4.96 120.40 115.93 1s20 s VAL 3 Ca 0.00 -0.25 -0.14 0.00 -2.93 0.00 0.00 61.98 58.67 1s20 s VAL 3 Cb 0.00 -0.43 -0.05 0.00 -1.53 0.00 0.00 36.38 34.37 1s20 s VAL 3 CO 0.00 -0.14 1.02 0.42 -3.33 0.00 0.00 175.10 173.07 1s20 s THR 4 N -0.49 4.47 0.13 5.04 -4.23 -1.26 -2.24 115.64 117.05 1s20 s THR 4 Ca -0.06 0.99 -0.27 0.00 -1.18 0.00 0.00 61.69 61.17 1s20 s THR 4 Cb -0.04 -3.71 -0.04 0.00 1.34 0.00 0.00 72.50 70.05 1s20 s THR 4 CO 0.01 -0.86 1.62 0.15 -0.54 0.00 0.00 174.62 175.00 1s20 h PHE 5 N 0.22 -0.86 -0.28 3.99 3.57 -1.97 -0.03 116.94 121.59 1s20 h PHE 5 Ca -0.45 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.04 1s20 h PHE 5 Cb 1.19 0.38 -0.02 0.00 2.79 0.00 0.00 35.95 40.30 1s20 h PHE 5 CO 0.64 -0.40 0.02 0.93 -2.23 0.00 0.00 178.31 177.27 1s20 h GLU 6 N -0.44 0.41 -0.44 1.11 4.39 -1.98 0.11 114.58 117.74 1s20 h GLU 6 Ca 0.07 -0.07 -0.11 0.00 0.34 0.00 0.00 59.36 59.60 1s20 h GLU 6 Cb 0.55 -0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 29.11 1s20 h GLU 6 CO -0.29 0.42 -0.16 0.37 -1.16 0.00 0.00 179.01 178.19 1s20 h GLN 7 N 0.40 0.83 0.11 2.33 4.15 -1.76 0.33 115.11 121.51 1s20 h GLN 7 Ca 0.09 -0.31 -0.01 0.00 0.77 0.00 0.00 58.65 59.20 1s20 h GLN 7 Cb 0.23 -0.05 0.00 0.00 0.21 0.00 0.00 27.48 27.87 1s20 h GLN 7 CO 0.00 0.94 -0.06 1.25 -1.93 0.00 0.00 178.83 179.03 1s20 h LEU 8 N 0.74 -0.13 -1.87 -2.39 6.46 -0.25 -2.78 115.31 115.09 1s20 h LEU 8 Ca 0.11 -0.34 0.09 0.00 -0.12 0.00 0.00 57.88 57.62 1s20 h LEU 8 Cb 0.67 0.03 -0.02 0.00 -0.73 0.00 0.00 40.66 40.62 1s20 h LEU 8 CO 0.05 0.30 0.28 0.50 -0.62 0.00 0.00 178.44 178.94 1s20 h LYS 9 N -0.59 0.15 -0.45 1.25 3.64 -0.73 -1.39 116.57 118.45 1s20 h LYS 9 Ca -0.02 -0.01 -0.09 0.00 -1.27 0.00 0.00 60.65 59.26 1s20 h LYS 9 Cb 0.46 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.24 1s20 h LYS 9 CO 0.03 0.10 -0.08 0.00 -2.27 0.00 0.00 179.45 177.23 1s20 h ALA 10 N 1.80 0.62 -0.55 5.00 0.00 -0.79 -1.10 119.26 124.24 1s20 h ALA 10 Ca 0.18 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 1s20 h ALA 10 Cb 0.54 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 1s20 h ALA 10 CO -0.03 0.48 0.28 0.00 0.00 0.00 0.00 179.25 179.99 1s20 h ALA 11 N 0.88 1.45 -0.00 0.00 0.00 -0.98 -0.02 119.26 120.59 1s20 h ALA 11 Ca 0.12 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 1s20 h ALA 11 Cb 0.61 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 1s20 h ALA 11 CO 0.04 0.44 -0.00 0.74 0.00 0.00 0.00 179.25 180.47 1s20 h PHE 12 N 0.77 0.01 -0.82 0.00 0.05 -1.25 -2.99 116.94 112.71 1s20 h PHE 12 Ca 0.20 -0.00 0.01 0.00 3.82 0.00 0.00 57.97 61.99 1s20 h PHE 12 Cb 0.06 -0.00 -0.04 0.00 2.00 0.00 0.00 35.95 37.96 1s20 h PHE 12 CO 0.01 0.52 0.54 -0.97 -0.18 0.00 0.00 178.31 178.23 1s20 h ASN 13 N -0.50 0.93 -0.03 2.17 -1.24 -0.97 -0.44 115.58 115.50 1s20 h ASN 13 Ca 0.00 -0.02 0.03 0.00 0.71 0.00 0.00 56.30 57.01 1s20 h ASN 13 Cb 0.52 -0.23 -0.03 0.00 0.73 0.00 0.00 38.32 39.31 1s20 h ASN 13 CO 0.00 0.67 -0.13 -0.09 -1.29 0.00 0.00 177.43 176.59 1s20 h ARG 14 N 1.10 -0.19 -0.49 6.67 2.43 -1.06 0.03 114.38 122.88 1s20 h ARG 14 Ca 0.31 0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.45 1s20 h ARG 14 Cb -0.11 0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.47 1s20 h ARG 14 CO -0.07 -0.13 0.15 0.28 -1.51 0.00 0.00 179.97 178.69 1s20 h VAL 15 N -0.20 1.23 0.22 0.20 2.07 -1.34 -1.73 116.25 116.69 1s20 h VAL 15 Ca 0.06 -0.77 0.01 0.00 0.82 0.00 0.00 66.70 66.81 1s20 h VAL 15 Cb 0.27 0.81 -0.02 0.00 -1.52 0.00 0.00 31.29 30.83 1s20 h VAL 15 CO -0.15 0.28 -0.26 -0.07 0.02 0.00 0.00 177.57 177.39 1s20 h LEU 16 N 0.65 -0.72 -1.45 2.57 3.38 -0.77 -2.21 115.31 116.76 1s20 h LEU 16 Ca 0.16 0.07 0.02 0.00 0.09 0.00 0.00 57.88 58.22 1s20 h LEU 16 Cb 0.28 0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.26 1s20 h LEU 16 CO -0.00 -0.37 0.39 0.40 0.09 0.00 0.00 178.44 178.95 1s20 h ILE 17 N -0.53 1.10 0.00 1.22 2.04 -0.94 -0.23 117.51 120.17 1s20 h ILE 17 Ca 0.00 -0.25 0.00 0.00 1.00 0.00 0.00 64.86 65.61 1s20 h ILE 17 Cb 0.51 0.30 0.00 0.00 -0.74 0.00 0.00 36.82 36.90 1s20 h ILE 17 CO -0.09 0.13 0.00 -1.54 0.00 0.00 0.00 178.15 176.66 1s20 n SER 18 N -4.46 0.00 -1.11 1.72 3.41 -0.66 -2.26 113.62 110.26 1s20 n SER 18 Ca 0.07 0.30 0.08 0.00 -0.26 0.00 0.00 58.87 59.05 1s20 n SER 18 Cb 0.10 -0.41 0.29 0.00 -0.26 0.00 0.00 64.21 63.93 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 -1.41 3.37 -0.91 4.33 5.12 -0.13 -4.95 116.66 122.09 1s20 n ARG 19 Ca 0.06 -2.89 0.00 0.00 -1.93 0.00 0.00 57.85 53.09 1s20 n ARG 19 Cb 0.18 -1.92 0.00 0.00 -1.16 0.00 0.00 32.46 29.56 1s20 n ARG 19 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1s20 n GLY 20 N -0.19 0.72 3.74 -0.13 0.00 -0.96 -5.02 105.19 103.36 1s20 n GLY 20 Ca 0.22 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.79 3.36 0.41 1.61 1.01 -1.00 -4.97 120.40 118.02 1s20 s VAL 21 Ca 0.00 1.15 -0.25 0.00 0.00 0.00 0.00 61.98 62.88 1s20 s VAL 21 Cb 0.00 -3.73 -0.11 0.00 0.00 0.00 0.00 36.38 32.54 1s20 s VAL 21 CO 0.00 0.19 1.13 -0.67 0.00 0.00 0.00 175.10 175.74 1s20 n ASP 22 N 2.43 1.84 -0.18 3.32 2.03 -1.26 -4.43 116.55 120.30 1s20 n ASP 22 Ca 0.05 1.08 -0.01 0.00 0.52 0.00 0.00 54.79 56.43 1s20 n ASP 22 Cb 0.44 -1.41 0.08 0.00 -0.72 0.00 0.00 41.12 39.50 1s20 n ASP 22 CO 0.00 0.00 0.00 -1.28 -1.92 0.00 0.00 177.20 174.00 1s20 h SER 23 N 1.84 -0.22 -0.01 1.67 0.87 -1.98 0.52 113.55 116.23 1s20 h SER 23 Ca -0.45 0.13 -0.00 0.00 -1.23 0.00 0.00 61.79 60.24 1s20 h SER 23 Cb 1.32 0.23 -0.00 0.00 -0.44 0.00 0.00 62.40 63.51 1s20 h SER 23 CO 0.59 -0.08 -0.00 -0.08 -0.53 0.00 0.00 176.83 176.72 1s20 h GLU 24 N 0.13 0.02 -0.50 2.24 4.81 -2.00 -2.08 114.58 117.20 1s20 h GLU 24 Ca 0.28 -0.01 -0.09 0.00 -0.13 0.00 0.00 59.36 59.42 1s20 h GLU 24 Cb 0.44 -0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.80 1s20 h GLU 24 CO -0.46 0.38 -0.05 1.79 -0.73 0.00 0.00 179.01 179.94 1s20 h THR 25 N -0.33 1.26 0.37 0.32 1.35 -1.88 -1.73 112.91 112.26 1s20 h THR 25 Ca 0.00 -1.12 -0.00 0.00 -0.55 0.00 0.00 66.41 64.74 1s20 h THR 25 Cb 0.37 0.92 -0.03 0.00 -1.73 0.00 0.00 68.15 67.68 1s20 h THR 25 CO 0.00 0.39 -0.42 0.00 -0.25 0.00 0.00 175.52 175.25 1s20 h ALA 26 N 1.15 -0.89 -0.88 6.62 0.00 0.08 0.28 119.26 125.61 1s20 h ALA 26 Ca 0.14 -0.14 0.12 0.00 0.00 0.00 0.00 54.91 55.04 1s20 h ALA 26 Cb 0.54 0.62 -0.07 0.00 0.00 0.00 0.00 17.79 18.88 1s20 h ALA 26 CO 0.03 -1.04 0.57 0.22 0.00 0.00 0.00 179.25 179.03 1s20 h ASP 27 N -0.82 0.72 -0.29 0.00 3.58 -1.27 -0.05 116.42 118.28 1s20 h ASP 27 Ca -0.03 0.03 -0.04 0.00 0.42 0.00 0.00 57.03 57.42 1s20 h ASP 27 Cb 0.74 -0.11 -0.01 0.00 1.72 0.00 0.00 39.33 41.67 1s20 h ASP 27 CO -0.09 0.39 0.04 0.00 -2.88 0.00 0.00 179.24 176.69 1s20 h ALA 28 N 1.58 0.39 -0.05 -0.78 0.00 -0.28 -1.63 119.26 118.50 1s20 h ALA 28 Ca 0.43 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 1s20 h ALA 28 Cb 0.57 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.25 1s20 h ALA 28 CO -0.19 0.10 0.00 0.00 0.00 0.00 0.00 179.25 179.16 1s20 h ALA 30 N 0.74 1.53 0.00 0.00 0.00 -1.01 -0.58 119.26 119.95 1s20 h ALA 30 Ca 0.01 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1s20 h ALA 30 Cb 0.30 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1s20 h ALA 30 CO 0.00 0.25 0.00 -1.91 0.00 0.00 0.00 179.25 177.59 1s20 n GLU 31 N -4.58 0.00 0.00 0.00 4.07 -0.62 -0.86 120.64 118.65 1s20 n GLU 31 Ca 0.18 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.28 1s20 n GLU 31 Cb 0.33 -0.97 0.00 0.00 -0.06 0.00 0.00 31.44 30.74 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 0.03 0.00 -0.03 4.31 3.72 -0.22 -0.75 117.46 124.52 1s20 n PHE 33 Ca 0.00 0.00 -0.09 0.00 -0.05 0.00 0.00 57.45 57.31 1s20 n PHE 33 Cb 0.00 0.00 -0.08 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 -0.06 -0.59 4.37 0.00 -1.26 -2.93 119.26 118.79 1s20 h ALA 34 Ca 0.00 -0.28 0.09 0.00 0.00 0.00 0.00 54.91 54.71 1s20 h ALA 34 Cb 0.00 0.02 -0.07 0.00 0.00 0.00 0.00 17.79 17.74 1s20 h ALA 34 CO 0.00 -0.09 0.21 0.00 0.00 0.00 0.00 179.25 179.37 1s20 h ARG 35 N -0.94 0.38 -0.91 0.00 2.47 -1.20 0.20 114.38 114.38 1s20 h ARG 35 Ca -0.01 -0.02 0.03 0.00 -1.26 0.00 0.00 59.98 58.72 1s20 h ARG 35 Cb 0.59 -0.09 -0.05 0.00 -1.65 0.00 0.00 29.97 28.77 1s20 h ARG 35 CO 0.01 0.25 0.59 1.15 0.56 0.00 0.00 179.97 182.53 1s20 h THR 36 N 0.39 1.15 -0.39 2.04 2.02 -1.80 -0.47 112.91 115.86 1s20 h THR 36 Ca 0.29 -0.39 -0.13 0.00 0.77 0.00 0.00 66.41 66.95 1s20 h THR 36 Cb 0.36 -0.09 -0.01 0.00 -1.74 0.00 0.00 68.15 66.67 1s20 h THR 36 CO -0.30 0.21 -0.30 0.74 0.37 0.00 0.00 175.52 176.24 1s20 h THR 37 N 1.14 1.28 0.00 3.16 2.02 -0.96 -2.39 112.91 117.15 1s20 h THR 37 Ca 0.36 -1.45 0.00 0.00 0.77 0.00 0.00 66.41 66.09 1s20 h THR 37 Cb 0.00 1.29 0.00 0.00 -1.74 0.00 0.00 68.15 67.71 1s20 h THR 37 CO -0.12 0.48 0.00 -0.08 0.37 0.00 0.00 175.52 176.18 1s20 h GLU 38 N 0.71 0.00 -0.00 6.66 4.81 0.15 -2.27 114.58 124.64 1s20 h GLU 38 Ca 0.08 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.31 1s20 h GLU 38 Cb 0.85 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.23 1s20 h GLU 38 CO 0.07 0.00 -0.06 0.43 -0.73 0.00 0.00 179.01 178.72 1s20 n SER 39 N -2.68 0.15 0.00 1.04 7.64 -0.26 -4.09 113.62 115.42 1s20 n SER 39 Ca 0.02 -0.10 0.00 0.00 1.01 0.00 0.00 58.87 59.80 1s20 n SER 39 Cb 0.31 -0.24 0.00 0.00 -1.01 0.00 0.00 64.21 63.27 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 1.35 0.83 3.29 0.23 0.00 -0.85 -4.24 105.19 105.80 1s20 n GLY 40 Ca 0.12 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.03 5.32 -0.01 1.61 1.01 -0.92 -4.85 120.40 120.54 1s20 s VAL 41 Ca 0.00 -2.70 -0.02 0.00 0.00 0.00 0.00 61.98 59.26 1s20 s VAL 41 Cb 0.00 -4.30 -0.27 0.00 0.00 0.00 0.00 36.38 31.81 1s20 s VAL 41 CO 0.00 -1.02 0.82 1.88 0.00 0.00 0.00 175.10 176.77 1s20 h TYR 42 N 7.48 0.41 -0.93 5.22 -1.99 -1.83 -2.10 116.97 123.22 1s20 h TYR 42 Ca 0.10 -0.30 0.13 0.00 2.00 0.00 0.00 58.73 60.66 1s20 h TYR 42 Cb 1.00 -0.02 -0.09 0.00 2.00 0.00 0.00 36.73 39.63 1s20 h TYR 42 CO 0.95 1.37 0.56 0.66 -0.00 0.00 0.00 178.16 181.70 1s20 h SER 43 N 0.06 0.77 -0.25 3.88 4.64 -1.95 -1.26 113.55 119.44 1s20 h SER 43 Ca -0.25 0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.13 1s20 h SER 43 Cb 2.01 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 64.02 1s20 h SER 43 CO 0.15 0.38 0.00 1.41 -0.87 0.00 0.00 176.83 177.90 1s20 n HIS 44 N -4.72 0.32 0.00 4.77 8.25 -1.26 -3.60 115.22 118.98 1s20 n HIS 44 Ca 0.18 -0.33 0.00 0.00 -0.26 0.00 0.00 57.72 57.31 1s20 n HIS 44 Cb 0.39 -0.02 0.00 0.00 1.12 0.00 0.00 29.99 31.48 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 0.59 0.27 0.22 -1.41 0.00 -0.79 -4.39 105.19 99.68 1s20 n GLY 45 Ca 0.10 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.08 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 1.30 0.00 1.61 3.04 -1.73 -3.12 116.25 117.34 1s20 h VAL 46 Ca 0.00 -1.49 0.00 0.00 -1.01 0.00 0.00 66.70 64.20 1s20 h VAL 46 Cb 0.00 1.54 0.00 0.00 -2.01 0.00 0.00 31.29 30.82 1s20 h VAL 46 CO 0.00 0.46 0.00 0.78 -1.01 0.00 0.00 177.57 177.80 1s20 h ASN 47 N 0.38 0.00 0.20 3.17 2.35 -1.50 -2.79 115.58 117.39 1s20 h ASN 47 Ca 0.04 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.79 1s20 h ASN 47 Cb 0.82 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.19 1s20 h ASN 47 CO 0.07 0.00 -0.76 -1.14 -1.65 0.00 0.00 177.43 173.95 1s20 n ARG 48 N -2.78 0.07 0.05 0.81 3.00 -1.18 -4.48 116.66 112.14 1s20 n ARG 48 Ca 0.01 -0.05 -0.11 0.00 -0.00 0.00 0.00 57.85 57.69 1s20 n ARG 48 Cb 0.27 -1.50 -0.04 0.00 0.00 0.00 0.00 32.46 31.19 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 0.13 -0.71 -0.46 -0.14 3.57 -1.51 -0.16 116.94 117.66 1s20 h PHE 49 Ca 0.00 0.03 0.09 0.00 3.53 0.00 0.00 57.97 61.62 1s20 h PHE 49 Cb 0.51 0.32 -0.10 0.00 2.79 0.00 0.00 35.95 39.48 1s20 h PHE 49 CO 0.00 -0.36 -0.19 -1.35 -2.23 0.00 0.00 178.31 174.19 1s20 h PRO 50 N -0.39 -0.09 -0.46 6.41 0.11 -1.78 0.76 132.00 136.56 1s20 h PRO 50 Ca 0.07 0.01 0.04 0.00 0.11 0.00 0.00 66.00 66.22 1s20 h PRO 50 Cb 0.49 0.02 -0.04 0.00 0.11 0.00 0.00 31.00 31.58 1s20 h PRO 50 CO -0.25 -0.06 0.22 -0.09 -0.21 0.00 0.00 178.00 177.62 1s20 h ARG 51 N -0.09 0.44 -0.03 1.05 9.65 -1.73 -1.38 114.38 122.28 1s20 h ARG 51 Ca 0.22 -0.03 0.03 0.00 -1.10 0.00 0.00 59.98 59.11 1s20 h ARG 51 Cb 0.43 -0.10 -0.06 0.00 -1.39 0.00 0.00 29.97 28.86 1s20 h ARG 51 CO -0.53 0.29 -0.37 0.35 2.80 0.00 0.00 179.97 182.51 1s20 h PHE 52 N 0.45 -1.03 -0.84 2.20 3.57 0.61 -1.56 116.94 120.34 1s20 h PHE 52 Ca 0.20 0.04 0.08 0.00 3.53 0.00 0.00 57.97 61.81 1s20 h PHE 52 Cb 0.11 0.46 -0.06 0.00 2.79 0.00 0.00 35.95 39.25 1s20 h PHE 52 CO -0.10 -0.45 0.55 0.82 -2.23 0.00 0.00 178.31 176.89 1s20 h ILE 53 N -0.51 1.02 -0.38 1.41 1.08 -0.56 -1.33 117.51 118.24 1s20 h ILE 53 Ca 0.06 -0.30 -0.01 0.00 -0.39 0.00 0.00 64.86 64.22 1s20 h ILE 53 Cb 0.60 0.06 -0.02 0.00 -3.07 0.00 0.00 36.82 34.39 1s20 h ILE 53 CO -0.31 0.16 0.19 -0.61 -0.69 0.00 0.00 178.15 176.89 1s20 h GLN 54 N 0.88 0.53 -0.00 2.37 5.75 -0.32 -0.45 115.11 123.88 1s20 h GLN 54 Ca 0.37 -0.07 -0.07 0.00 -0.15 0.00 0.00 58.65 58.73 1s20 h GLN 54 Cb 0.29 -0.10 -0.01 0.00 1.07 0.00 0.00 27.48 28.73 1s20 h GLN 54 CO -0.14 0.46 -0.34 1.96 -2.65 0.00 0.00 178.83 178.11 1s20 h GLN 55 N 0.47 0.00 -0.08 1.69 4.20 -0.67 -1.73 115.11 118.99 1s20 h GLN 55 Ca 0.13 -0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.83 1s20 h GLN 55 Cb 0.09 -0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.87 1s20 h GLN 55 CO -0.02 0.35 0.01 1.25 -0.67 0.00 0.00 178.83 179.75 1s20 h LEU 56 N 0.00 0.13 -1.20 1.46 5.85 -0.51 -1.41 115.31 119.64 1s20 h LEU 56 Ca -0.00 -0.25 -0.05 0.00 0.84 0.00 0.00 57.88 58.41 1s20 h LEU 56 Cb 0.61 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.59 1s20 h LEU 56 CO 0.04 0.35 0.00 -0.33 -0.34 0.00 0.00 178.44 178.17 1s20 h GLU 57 N -0.09 0.55 0.00 1.25 5.08 -0.86 -1.83 114.58 118.69 1s20 h GLU 57 Ca 0.03 -0.12 0.00 0.00 -1.00 0.00 0.00 59.36 58.26 1s20 h GLU 57 Cb 0.28 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.45 1s20 h GLU 57 CO 0.00 0.58 0.00 0.09 -1.00 0.00 0.00 179.01 178.68 1s20 n ASN 58 N -4.27 0.00 0.00 1.42 3.02 -0.67 -4.86 115.26 109.90 1s20 n ASN 58 Ca 0.02 0.10 0.00 0.00 -0.03 0.00 0.00 54.58 54.67 1s20 n ASN 58 Cb 0.25 -0.31 0.00 0.00 -0.61 0.00 0.00 39.78 39.11 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 0.09 1.38 0.35 7.41 0.00 -0.69 -4.93 105.19 108.82 1s20 n GLY 59 Ca 0.07 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.22 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 0.78 -3.55 1.61 3.45 -1.45 -3.40 116.42 113.85 1s20 h ASP 60 Ca 0.00 0.10 -0.67 0.00 0.43 0.00 0.00 57.03 56.88 1s20 h ASP 60 Cb 0.00 -0.04 -0.20 0.00 -0.56 0.00 0.00 39.33 38.53 1s20 h ASP 60 CO 0.00 0.28 -0.69 -0.63 -1.57 0.00 0.00 179.24 176.63 1s20 s ILE 61 N -5.86 3.73 -0.47 0.35 1.01 -1.21 -4.88 121.20 113.86 1s20 s ILE 61 Ca -0.11 -0.45 0.00 0.00 0.00 0.00 0.00 60.65 60.08 1s20 s ILE 61 Cb 0.25 -2.55 0.13 0.00 0.01 0.00 0.00 42.46 40.29 1s20 s ILE 61 CO 0.80 0.57 0.24 -0.63 0.00 0.00 0.00 174.94 175.93 1s20 s ILE 62 N -0.50 3.02 0.41 2.92 1.01 0.15 -4.79 121.20 123.42 1s20 s ILE 62 Ca 0.08 -2.64 0.18 0.00 0.00 0.00 0.00 60.65 58.27 1s20 s ILE 62 Cb -0.12 -3.07 0.39 0.00 0.01 0.00 0.00 42.46 39.66 1s20 s ILE 62 CO 0.02 -0.74 1.83 -0.65 0.00 0.00 0.00 174.94 175.40 1s20 h PRO 63 N 7.34 0.39 0.20 2.79 0.11 -1.94 -2.42 132.00 138.48 1s20 h PRO 63 Ca -0.07 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 66.01 1s20 h PRO 63 Cb 0.98 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.01 1s20 h PRO 63 CO 0.66 0.26 -0.10 -0.44 -0.21 0.00 0.00 178.00 178.17 1s20 h ASP 64 N 0.41 -0.23 -1.00 -2.05 5.19 -1.93 -3.45 116.42 113.36 1s20 h ASP 64 Ca 0.51 -0.20 -0.67 0.00 -0.62 0.00 0.00 57.03 56.04 1s20 h ASP 64 Cb 1.28 0.06 0.11 0.00 0.18 0.00 0.00 39.33 40.96 1s20 h ASP 64 CO -0.21 0.09 -0.51 0.00 -3.12 0.00 0.00 179.24 175.49 1s20 n ALA 65 N -2.38 -2.90 -2.60 3.45 0.00 -0.91 -5.01 120.51 110.17 1s20 n ALA 65 Ca -0.09 0.44 -0.22 0.00 0.00 0.00 0.00 53.44 53.58 1s20 n ALA 65 Cb 0.23 -1.61 -0.13 0.00 0.00 0.00 0.00 19.45 17.94 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 -0.96 1.03 0.10 0.00 -1.52 -1.26 -4.65 119.66 112.40 1s20 s GLN 66 Ca 0.65 -1.01 -0.33 0.00 -1.95 0.00 0.00 55.36 52.71 1s20 s GLN 66 Cb -0.94 -1.16 -0.12 0.00 -0.22 0.00 0.00 33.01 30.57 1s20 s GLN 66 CO 0.56 0.27 1.72 -2.30 -0.25 0.00 0.00 175.29 175.29 1s20 n PRO 67 N 1.35 2.37 -3.92 2.91 -0.02 -1.26 -4.75 135.00 131.68 1s20 n PRO 67 Ca -0.20 0.86 -0.35 0.00 -2.02 0.00 0.00 63.50 61.79 1s20 n PRO 67 Cb 0.54 -2.68 -0.14 0.00 -0.02 0.00 0.00 33.50 31.20 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 2.05 3.40 0.39 -0.52 2.20 0.18 -4.94 119.74 122.51 1s20 s LYS 68 Ca 0.82 -0.61 -0.25 0.00 -0.36 0.00 0.00 55.97 55.56 1s20 s LYS 68 Cb -0.62 -3.02 -0.09 0.00 -1.51 0.00 0.00 37.83 32.59 1s20 s LYS 68 CO 0.40 -0.18 1.16 0.50 -0.36 0.00 0.00 175.35 176.87 1s20 s ARG 69 N 1.45 4.09 -0.02 4.03 3.52 -1.26 -0.40 118.95 130.35 1s20 s ARG 69 Ca 0.05 1.83 -0.04 0.00 -0.13 0.00 0.00 55.73 57.44 1s20 s ARG 69 Cb -0.14 -2.69 -0.01 0.00 -1.56 0.00 0.00 34.95 30.54 1s20 s ARG 69 CO -0.03 -0.29 -0.08 -0.89 -0.81 0.00 0.00 175.30 173.20 1s20 n ILE 70 N 0.12 0.59 -4.18 4.11 2.08 0.77 -4.87 119.36 117.99 1s20 n ILE 70 Ca 0.04 0.27 -0.18 0.00 0.56 0.00 0.00 62.75 63.44 1s20 n ILE 70 Cb 0.46 -1.59 -0.12 0.00 -0.75 0.00 0.00 39.64 37.64 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 -1.64 1.13 -0.07 1.39 2.01 -1.09 -4.99 115.64 112.38 1s20 s THR 71 Ca -0.07 -1.33 -0.01 0.00 0.31 0.00 0.00 61.69 60.60 1s20 s THR 71 Cb 0.01 -1.10 0.03 0.00 0.01 0.00 0.00 72.50 71.45 1s20 s THR 71 CO 0.10 -0.23 -0.01 -0.55 -0.69 0.00 0.00 174.62 173.24 1s20 s SER 72 N -1.78 1.43 0.00 3.53 0.15 -1.26 -0.81 113.70 114.96 1s20 s SER 72 Ca -0.01 -0.10 0.16 0.00 0.70 0.00 0.00 55.95 56.69 1s20 s SER 72 Cb -0.10 -0.45 0.04 0.00 -1.71 0.00 0.00 66.02 63.80 1s20 s SER 72 CO 0.02 -0.16 0.90 0.18 1.20 0.00 0.00 173.24 175.39 1s20 n LEU 73 N 4.86 1.86 0.00 3.45 4.77 -0.56 -5.03 117.00 126.35 1s20 n LEU 73 Ca -0.12 -0.85 0.00 0.00 -0.03 0.00 0.00 56.01 55.01 1s20 n LEU 73 Cb 0.50 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.59 1s20 n LEU 73 CO 0.14 0.35 0.00 0.61 -1.33 0.00 0.00 177.39 177.16 1s20 n GLY 74 N 1.06 1.37 0.27 -0.72 0.00 -1.26 -4.77 105.19 101.14 1s20 n GLY 74 Ca 0.08 -0.51 0.14 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.33 2.71 -2.69 4.61 0.00 -1.26 -4.81 120.51 118.74 1s20 n ALA 75 Ca 0.00 -0.35 -0.20 0.00 0.00 0.00 0.00 53.44 52.89 1s20 n ALA 75 Cb 0.00 -1.27 -0.15 0.00 0.00 0.00 0.00 19.45 18.03 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 -2.18 0.84 0.02 0.00 2.07 -1.26 -1.25 121.20 119.44 1s20 s ILE 76 Ca 0.36 -0.45 0.00 0.00 -1.41 0.00 0.00 60.65 59.15 1s20 s ILE 76 Cb 0.21 -0.71 -0.02 0.00 0.13 0.00 0.00 42.46 42.07 1s20 s ILE 76 CO 0.40 0.24 -0.03 -1.61 -1.91 0.00 0.00 174.94 172.03 1s20 s GLU 77 N -0.20 0.31 -0.24 3.50 2.02 -0.62 -1.50 118.70 121.97 1s20 s GLU 77 Ca 0.03 -0.57 -0.06 0.00 0.02 0.00 0.00 54.97 54.40 1s20 s GLU 77 Cb -0.05 0.06 -0.02 0.00 0.10 0.00 0.00 34.13 34.22 1s20 s GLU 77 CO -0.00 -0.03 0.01 -1.14 0.02 0.00 0.00 175.26 174.12 1s20 s GLN 78 N -1.33 3.51 0.27 1.61 0.74 0.01 -1.12 119.66 123.33 1s20 s GLN 78 Ca -0.14 -0.56 0.11 0.00 0.05 0.00 0.00 55.36 54.83 1s20 s GLN 78 Cb -0.09 -3.17 -0.05 0.00 1.10 0.00 0.00 33.01 30.80 1s20 s GLN 78 CO -0.01 -0.20 -0.17 -1.58 -0.55 0.00 0.00 175.29 172.79 1s20 s TRP 79 N 1.55 2.37 -0.23 1.67 0.52 0.85 -0.16 118.94 125.51 1s20 s TRP 79 Ca 0.06 -0.31 0.00 0.00 0.02 0.00 0.00 56.10 55.87 1s20 s TRP 79 Cb -0.15 -1.05 0.03 0.00 -1.15 0.00 0.00 33.47 31.16 1s20 s TRP 79 CO 0.00 0.67 -0.11 0.34 0.02 0.00 0.00 176.95 177.87 1s20 s ASP 80 N -3.43 4.04 0.42 2.95 -1.08 0.47 -1.59 116.67 118.44 1s20 s ASP 80 Ca 0.29 -0.96 0.20 0.00 -0.52 0.00 0.00 52.55 51.56 1s20 s ASP 80 Cb -0.06 -1.58 0.89 0.00 -1.46 0.00 0.00 42.92 40.71 1s20 s ASP 80 CO 0.15 -0.11 1.83 0.00 0.52 0.00 0.00 175.17 177.57 1s20 h ALA 81 N 7.93 1.12 -5.94 3.66 0.00 -0.79 0.55 119.26 125.79 1s20 h ALA 81 Ca -0.32 -0.27 -0.41 0.00 0.00 0.00 0.00 54.91 53.90 1s20 h ALA 81 Cb 1.10 -0.05 0.10 0.00 0.00 0.00 0.00 17.79 18.94 1s20 h ALA 81 CO 0.56 0.37 -0.70 1.04 0.00 0.00 0.00 179.25 180.52 1s20 n GLN 82 N -3.63 -7.42 -2.04 0.00 6.02 -1.21 -1.96 117.38 107.15 1s20 n GLN 82 Ca -0.01 0.78 -0.20 0.00 -0.01 0.00 0.00 57.00 57.56 1s20 n GLN 82 Cb 0.42 -5.80 -0.04 0.00 1.02 0.00 0.00 30.24 25.84 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 -4.92 -1.53 -1.51 -1.09 5.12 0.15 -4.81 116.66 108.08 1s20 n ARG 83 Ca 0.01 1.08 -0.30 0.00 -1.93 0.00 0.00 57.85 56.71 1s20 n ARG 83 Cb 0.56 -5.60 0.19 0.00 -1.16 0.00 0.00 32.46 26.45 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 2.45 0.15 0.55 1.04 -0.83 -0.67 113.70 114.00 1s20 s SER 84 Ca 0.00 0.61 -0.33 0.00 0.48 0.00 0.00 55.95 56.71 1s20 s SER 84 Cb 0.00 -0.88 -0.13 0.00 0.10 0.00 0.00 66.02 65.11 1s20 s SER 84 CO 0.00 -3.17 1.65 -0.38 0.98 0.00 0.00 173.24 172.32 1s20 n ILE 85 N -4.12 0.07 0.32 -1.02 5.41 -1.26 -4.12 119.36 114.64 1s20 n ILE 85 Ca 0.12 -0.01 -0.18 0.00 1.00 0.00 0.00 62.75 63.67 1s20 n ILE 85 Cb 0.59 -1.70 -0.10 0.00 -0.71 0.00 0.00 39.64 37.72 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 6.55 -1.28 1.06 7.39 0.00 -1.76 -2.19 103.07 112.83 1s20 h GLY 86 Ca -0.45 0.58 -0.13 0.00 0.00 0.00 0.00 47.33 47.33 1s20 h GLY 86 CO 0.91 -0.39 -0.28 3.45 0.00 0.00 0.00 176.54 180.24 1s20 h ASN 87 N -1.05 0.91 -0.71 0.19 -0.00 -1.77 -1.89 115.58 111.27 1s20 h ASN 87 Ca -0.07 -0.44 -0.04 0.00 -0.00 0.00 0.00 56.30 55.75 1s20 h ASN 87 Cb 0.89 -0.25 -0.03 0.00 -0.00 0.00 0.00 38.32 38.92 1s20 h ASN 87 CO -0.02 1.15 0.28 -0.07 -0.00 0.00 0.00 177.43 178.77 1s20 h LEU 88 N 0.68 0.99 -0.09 6.14 3.38 -1.94 -2.06 115.31 122.42 1s20 h LEU 88 Ca 0.08 -0.18 -0.13 0.00 0.09 0.00 0.00 57.88 57.74 1s20 h LEU 88 Cb 0.85 -0.26 0.01 0.00 0.09 0.00 0.00 40.66 41.35 1s20 h LEU 88 CO 0.07 0.90 -0.45 0.74 0.09 0.00 0.00 178.44 179.79 1s20 h THR 89 N 1.03 1.39 -0.92 0.22 2.02 -1.39 -2.86 112.91 112.40 1s20 h THR 89 Ca 0.24 -1.81 0.12 0.00 0.77 0.00 0.00 66.41 65.73 1s20 h THR 89 Cb 0.22 2.25 -0.07 0.00 -1.74 0.00 0.00 68.15 68.81 1s20 h THR 89 CO -0.02 0.54 0.59 0.00 0.37 0.00 0.00 175.52 176.99 1s20 h ALA 90 N 0.45 1.70 -0.39 6.16 0.00 -1.28 -0.63 119.26 125.28 1s20 h ALA 90 Ca -0.03 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 1s20 h ALA 90 Cb 1.10 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.71 1s20 h ALA 90 CO 0.09 0.08 0.13 -0.22 0.00 0.00 0.00 179.25 179.33 1s20 h LYS 91 N 0.82 0.60 -5.12 0.00 3.64 -1.31 -3.42 116.57 111.78 1s20 h LYS 91 Ca 0.45 -0.13 -0.30 0.00 -1.27 0.00 0.00 60.65 59.40 1s20 h LYS 91 Cb 0.57 -0.09 0.02 0.00 -0.41 0.00 0.00 32.23 32.32 1s20 h LYS 91 CO -0.21 0.60 0.92 1.63 -2.27 0.00 0.00 179.45 180.12 1s20 n LYS 92 N -4.62 0.82 0.00 1.90 5.02 -0.25 -4.69 118.16 116.35 1s20 n LYS 92 Ca -0.01 -1.90 0.00 0.00 -2.02 0.00 0.00 58.31 54.39 1s20 n LYS 92 Cb 0.17 -3.51 0.00 0.00 -0.02 0.00 0.00 35.03 31.67 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 14.60 0.00 0.12 4.39 10.43 -1.26 -4.68 116.55 140.15 1s20 n ASP 95 Ca 0.45 0.00 -0.03 0.00 2.57 0.00 0.00 54.79 57.78 1s20 n ASP 95 Cb 0.45 0.00 0.11 0.00 1.84 0.00 0.00 41.12 43.52 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 0.03 -0.18 -1.24 9.65 -1.95 -1.25 114.38 119.44 1s20 h ARG 96 Ca 0.00 -0.02 -0.17 0.00 -1.10 0.00 0.00 59.98 58.69 1s20 h ARG 96 Cb 0.00 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.59 1s20 h ARG 96 CO 0.00 0.71 -0.55 0.00 2.80 0.00 0.00 179.97 182.93 1s20 h ALA 97 N 1.28 0.31 -0.29 2.80 0.00 -1.90 -1.51 119.26 119.95 1s20 h ALA 97 Ca -0.01 -0.51 -0.05 0.00 0.00 0.00 0.00 54.91 54.34 1s20 h ALA 97 Cb 1.23 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.97 1s20 h ALA 97 CO 0.09 0.52 -0.02 0.82 0.00 0.00 0.00 179.25 180.66 1s20 h ILE 98 N 0.38 1.18 -0.46 0.00 2.04 -1.88 -0.25 117.51 118.52 1s20 h ILE 98 Ca -0.02 -0.74 -0.11 0.00 1.00 0.00 0.00 64.86 65.00 1s20 h ILE 98 Cb 1.17 0.99 -0.01 0.00 -0.74 0.00 0.00 36.82 38.22 1s20 h ILE 98 CO 0.12 0.25 -0.13 -0.08 0.00 0.00 0.00 178.15 178.31 1s20 h GLU 99 N 0.43 0.89 -0.33 2.37 4.81 -1.04 -2.07 114.58 119.66 1s20 h GLU 99 Ca 0.09 -0.35 -0.11 0.00 -0.13 0.00 0.00 59.36 58.86 1s20 h GLU 99 Cb 0.31 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.64 1s20 h GLU 99 CO 0.01 1.00 -0.24 -0.07 -0.73 0.00 0.00 179.01 178.98 1s20 h LEU 100 N 0.73 0.77 -1.32 1.64 3.38 -0.70 -3.13 115.31 116.69 1s20 h LEU 100 Ca 0.11 -0.44 -0.04 0.00 0.09 0.00 0.00 57.88 57.60 1s20 h LEU 100 Cb 0.68 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.20 1s20 h LEU 100 CO 0.05 1.05 0.01 0.00 0.09 0.00 0.00 178.44 179.63 1s20 h ALA 101 N 0.75 1.45 -0.53 1.53 0.00 -1.01 0.42 119.26 121.88 1s20 h ALA 101 Ca 0.06 -0.18 0.09 0.00 0.00 0.00 0.00 54.91 54.89 1s20 h ALA 101 Cb 0.80 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.42 1s20 h ALA 101 CO 0.06 0.39 0.36 0.00 0.00 0.00 0.00 179.25 180.06 1s20 h ALA 102 N 1.57 2.05 0.00 0.00 0.00 -1.31 0.42 119.26 122.00 1s20 h ALA 102 Ca 0.10 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1s20 h ALA 102 Cb 0.28 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1s20 h ALA 102 CO 0.01 -0.17 -0.89 -0.25 0.00 0.00 0.00 179.25 177.95 1s20 n ASP 103 N -4.46 1.34 -0.06 0.00 8.00 -0.94 -4.64 116.55 115.79 1s20 n ASP 103 Ca 0.08 -0.44 0.01 0.00 0.71 0.00 0.00 54.79 55.15 1s20 n ASP 103 Cb 0.36 1.20 0.00 0.00 -0.02 0.00 0.00 41.12 42.66 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 -1.50 0.00 0.00 1.24 8.25 0.09 -5.01 115.22 118.30 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 0.21 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.32 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 0.25 2.08 2.92 -1.41 0.00 0.15 -4.91 105.19 104.26 1s20 n GLY 105 Ca 0.01 -0.42 -0.12 0.00 0.00 0.00 0.00 46.02 45.48 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 -0.39 -0.00 0.04 -0.61 2.07 -1.26 -1.71 121.20 119.35 1s20 s ILE 106 Ca 0.00 0.01 0.05 0.00 -1.41 0.00 0.00 60.65 59.30 1s20 s ILE 106 Cb 0.00 -0.08 -0.02 0.00 0.13 0.00 0.00 42.46 42.49 1s20 s ILE 106 CO 0.00 0.00 -0.14 -0.83 -1.91 0.00 0.00 174.94 172.07 1s20 s GLY 107 N 0.08 0.77 -0.05 1.50 0.00 0.10 -4.28 107.32 105.45 1s20 s GLY 107 Ca -0.00 -0.83 -0.03 0.00 0.00 0.00 0.00 44.72 43.86 1s20 s GLY 107 CO -0.00 -0.82 0.12 -2.27 0.00 0.00 0.00 173.10 170.13 1s20 s LEU 108 N -1.22 1.10 -0.13 0.66 0.20 -0.38 -1.43 118.68 117.48 1s20 s LEU 108 Ca 0.00 0.24 0.00 0.00 0.69 0.00 0.00 54.13 55.06 1s20 s LEU 108 Cb -0.08 0.31 0.02 0.00 -0.43 0.00 0.00 46.19 46.02 1s20 s LEU 108 CO 0.01 -0.10 -0.11 -0.69 -0.29 0.00 0.00 176.35 175.17 1s20 s VAL 109 N 0.73 1.29 -0.25 1.68 1.01 0.90 -1.59 120.40 124.17 1s20 s VAL 109 Ca -0.06 -0.46 -0.10 0.00 0.00 0.00 0.00 61.98 61.36 1s20 s VAL 109 Cb -0.08 -1.25 -0.05 0.00 0.00 0.00 0.00 36.38 35.00 1s20 s VAL 109 CO -0.03 0.41 0.16 0.00 0.00 0.00 0.00 175.10 175.64 1s20 s ALA 110 N 1.57 3.54 -0.12 5.51 0.00 -0.28 -1.19 121.76 130.80 1s20 s ALA 110 Ca 0.04 -0.98 0.02 0.00 0.00 0.00 0.00 51.96 51.04 1s20 s ALA 110 Cb -0.13 -2.35 -0.01 0.00 0.00 0.00 0.00 23.12 20.64 1s20 s ALA 110 CO -0.09 -0.34 -0.18 -1.17 0.00 0.00 0.00 175.76 173.98 1s20 s LEU 111 N 1.34 2.40 0.38 0.00 2.96 0.11 -0.10 118.68 125.77 1s20 s LEU 111 Ca 0.07 -0.45 0.08 0.00 -0.22 0.00 0.00 54.13 53.61 1s20 s LEU 111 Cb -0.15 -1.51 -0.05 0.00 0.50 0.00 0.00 46.19 44.99 1s20 s LEU 111 CO 0.07 0.16 0.17 0.00 -1.32 0.00 0.00 176.35 175.42 1s20 s ARG 112 N 0.38 2.29 -1.46 1.98 1.70 -0.62 -1.19 118.95 122.03 1s20 s ARG 112 Ca -0.14 -1.69 -0.03 0.00 -0.47 0.00 0.00 55.73 53.39 1s20 s ARG 112 Cb -0.17 -2.09 0.01 0.00 -0.57 0.00 0.00 34.95 32.14 1s20 s ARG 112 CO 0.07 -0.01 0.30 0.09 -1.08 0.00 0.00 175.30 174.67 1s20 n ASN 113 N -1.20 -5.18 -4.78 -2.89 3.02 -1.15 -0.20 115.26 102.89 1s20 n ASN 113 Ca -0.02 -0.13 -0.24 0.00 -0.03 0.00 0.00 54.58 54.16 1s20 n ASN 113 Cb 0.63 -4.27 0.08 0.00 -0.61 0.00 0.00 39.78 35.61 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 -2.98 3.53 0.33 5.41 0.00 -0.37 0.31 121.76 127.99 1s20 s ALA 114 Ca 0.18 -1.40 0.09 0.00 0.00 0.00 0.00 51.96 50.84 1s20 s ALA 114 Cb -0.08 -2.22 -0.06 0.00 0.00 0.00 0.00 23.12 20.76 1s20 s ALA 114 CO 0.22 -1.29 -0.05 -0.80 0.00 0.00 0.00 175.76 173.84 1s20 s ASN 115 N -4.61 3.98 -0.13 0.00 0.01 -1.26 -0.63 114.94 112.30 1s20 s ASN 115 Ca 0.63 -1.06 -0.40 0.00 -0.71 0.00 0.00 52.86 51.33 1s20 s ASN 115 Cb -0.08 -0.46 -0.17 0.00 0.41 0.00 0.00 41.25 40.95 1s20 s ASN 115 CO 0.43 -0.19 1.48 1.57 -1.51 0.00 0.00 177.10 178.88 1s20 n HIS 116 N -0.87 1.61 0.00 2.20 -0.00 -1.26 -4.36 115.22 112.54 1s20 n HIS 116 Ca -0.05 0.73 0.00 0.00 0.46 0.00 0.00 57.72 58.86 1s20 n HIS 116 Cb 0.62 -2.33 0.00 0.00 -0.12 0.00 0.00 29.99 28.17 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 3.58 0.00 -0.31 1.57 2.14 -1.26 -3.92 117.44 119.24 1s20 n TRP 117 Ca 0.23 0.00 -0.11 0.00 2.07 0.00 0.00 57.50 59.69 1s20 n TRP 117 Cb 0.12 0.00 -0.03 0.00 -0.81 0.00 0.00 31.31 30.59 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 -0.33 -2.67 0.63 -1.26 -4.39 116.66 108.63 1s20 n ARG 119 Ca 0.00 0.00 0.05 0.00 -0.92 0.00 0.00 57.85 56.98 1s20 n ARG 119 Cb 0.00 -0.34 0.20 0.00 0.45 0.00 0.00 32.46 32.78 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 2.36 1.48 1.73 5.14 0.00 -1.99 -0.94 103.07 110.85 1s20 h GLY 120 Ca -0.02 -0.38 0.02 0.00 0.00 0.00 0.00 47.33 46.95 1s20 h GLY 120 CO 0.28 0.16 0.12 -1.33 0.00 0.00 0.00 176.54 175.77 1s20 h GLY 121 N 0.93 0.00 0.45 4.60 0.00 -1.95 -2.39 103.07 104.71 1s20 h GLY 121 Ca 0.45 0.00 0.09 0.00 0.00 0.00 0.00 47.33 47.87 1s20 h GLY 121 CO -0.25 0.00 0.33 1.76 0.00 0.00 0.00 176.54 178.38 1s20 h SER 122 N 0.00 0.41 0.48 0.19 0.02 -1.55 0.91 113.55 114.00 1s20 h SER 122 Ca 0.04 0.06 -0.18 0.00 -0.84 0.00 0.00 61.79 60.87 1s20 h SER 122 Cb 0.27 -0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.80 1s20 h SER 122 CO -0.00 0.23 -0.78 1.88 -1.14 0.00 0.00 176.83 177.02 1s20 h TYR 123 N 0.56 0.33 -0.20 3.45 0.05 -1.59 0.05 116.97 119.61 1s20 h TYR 123 Ca 0.34 -0.16 -0.17 0.00 0.05 0.00 0.00 58.73 58.79 1s20 h TYR 123 Cb 0.37 -0.04 0.00 0.00 1.01 0.00 0.00 36.73 38.07 1s20 h TYR 123 CO -0.12 0.92 -0.53 0.78 -1.05 0.00 0.00 178.16 178.16 1s20 h GLY 124 N 1.66 0.79 1.00 3.88 0.00 -1.55 -2.78 103.07 106.08 1s20 h GLY 124 Ca -0.03 -0.99 0.00 0.00 0.00 0.00 0.00 47.33 46.31 1s20 h GLY 124 CO 0.12 0.89 0.23 -0.25 0.00 0.00 0.00 176.54 177.53 1s20 h TRP 125 N 0.43 0.45 -0.45 5.60 2.91 -0.69 -1.78 115.95 122.41 1s20 h TRP 125 Ca -0.01 0.01 0.02 0.00 1.13 0.00 0.00 58.89 60.04 1s20 h TRP 125 Cb 1.15 -0.15 -0.02 0.00 -0.51 0.00 0.00 29.16 29.63 1s20 h TRP 125 CO 0.09 0.29 0.30 -0.56 -1.03 0.00 0.00 178.44 177.53 1s20 h GLN 126 N 0.48 0.54 -0.16 2.65 3.07 -0.94 -1.26 115.11 119.50 1s20 h GLN 126 Ca 0.13 -0.03 -0.05 0.00 0.09 0.00 0.00 58.65 58.78 1s20 h GLN 126 Cb -0.05 -0.12 -0.00 0.00 0.08 0.00 0.00 27.48 27.39 1s20 h GLN 126 CO -0.03 0.36 -0.11 0.00 0.09 0.00 0.00 178.83 179.14 1s20 h ALA 127 N 1.73 0.22 -0.33 0.06 0.00 -1.13 -3.10 119.26 116.71 1s20 h ALA 127 Ca 0.17 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 1s20 h ALA 127 Cb 0.01 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1s20 h ALA 127 CO -0.04 0.07 0.18 0.00 0.00 0.00 0.00 179.25 179.45 1s20 h ALA 128 N 0.64 1.69 -0.06 0.00 0.00 -0.54 -0.64 119.26 120.35 1s20 h ALA 128 Ca 0.03 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 1s20 h ALA 128 Cb 0.61 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 1s20 h ALA 128 CO 0.03 0.26 -0.14 0.93 0.00 0.00 0.00 179.25 180.33 1s20 h GLU 129 N 0.46 0.09 -0.01 0.00 5.08 -1.19 -0.28 114.58 118.73 1s20 h GLU 129 Ca 0.12 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 1s20 h GLU 129 Cb 0.02 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.26 1s20 h GLU 129 CO -0.02 0.24 0.00 1.63 -1.00 0.00 0.00 179.01 179.86 1s20 n LYS 130 N -4.32 1.23 -0.52 2.33 4.01 -0.32 -4.88 118.16 115.68 1s20 n LYS 130 Ca -0.02 -0.34 0.00 0.00 -0.51 0.00 0.00 58.31 57.45 1s20 n LYS 130 Cb 0.24 -1.47 0.00 0.00 -0.51 0.00 0.00 35.03 33.29 1s20 n LYS 130 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1s20 n GLY 131 N 1.04 0.75 3.95 0.72 0.00 -0.11 -5.07 105.19 106.47 1s20 n GLY 131 Ca 0.21 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.02 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 -2.42 3.41 -0.04 1.61 2.02 -0.76 -4.23 117.35 116.94 1s20 s TYR 132 Ca 0.00 -0.01 -0.27 0.00 -0.37 0.00 0.00 57.07 56.41 1s20 s TYR 132 Cb 0.00 -1.56 -0.03 0.00 -0.40 0.00 0.00 41.96 39.97 1s20 s TYR 132 CO 0.00 0.46 0.86 0.42 -1.57 0.00 0.00 175.55 175.72 1s20 s ILE 133 N -1.97 4.93 -0.19 2.71 1.01 0.14 -2.78 121.20 125.06 1s20 s ILE 133 Ca 0.34 1.79 -0.04 0.00 0.00 0.00 0.00 60.65 62.74 1s20 s ILE 133 Cb -0.09 -4.20 -0.02 0.00 0.01 0.00 0.00 42.46 38.16 1s20 s ILE 133 CO 0.28 0.18 -0.04 -0.83 0.00 0.00 0.00 174.94 174.53 1s20 s GLY 134 N 0.94 1.66 -0.04 6.18 0.00 0.27 -1.96 107.32 114.37 1s20 s GLY 134 Ca 0.45 -1.02 0.01 0.00 0.00 0.00 0.00 44.72 44.16 1s20 s GLY 134 CO 0.22 0.21 -0.02 -0.42 0.00 0.00 0.00 173.10 173.09 1s20 s ILE 135 N 1.00 0.38 0.15 0.90 1.01 -0.42 0.75 121.20 124.97 1s20 s ILE 135 Ca 0.01 -0.02 -0.23 0.00 0.00 0.00 0.00 60.65 60.41 1s20 s ILE 135 Cb -0.15 -0.45 0.07 0.00 0.01 0.00 0.00 42.46 41.94 1s20 s ILE 135 CO 0.01 0.20 0.58 0.00 0.00 0.00 0.00 174.94 175.73 1s20 s TRP 137 N -3.66 -0.34 0.12 0.00 -2.14 -0.70 -0.45 118.94 111.77 1s20 s TRP 137 Ca 0.01 0.07 -0.02 0.00 2.66 0.00 0.00 56.10 58.82 1s20 s TRP 137 Cb -0.01 0.60 -0.03 0.00 -3.10 0.00 0.00 33.47 30.93 1s20 s TRP 137 CO -0.12 -0.85 0.08 -0.08 -2.66 0.00 0.00 176.95 173.32 1s20 s THR 138 N -3.53 0.12 0.40 0.66 -1.32 -1.22 -0.35 115.64 110.39 1s20 s THR 138 Ca 0.06 -1.79 0.05 0.00 -1.21 0.00 0.00 61.69 58.80 1s20 s THR 138 Cb -0.02 -1.90 0.05 0.00 -1.51 0.00 0.00 72.50 69.12 1s20 s THR 138 CO -0.05 -0.54 0.41 -0.46 -2.21 0.00 0.00 174.62 171.77 1s20 n ASN 139 N -0.07 1.92 -1.49 8.08 0.23 -0.73 -3.70 115.26 119.50 1s20 n ASN 139 Ca -0.08 -2.23 -0.03 0.00 -0.53 0.00 0.00 54.58 51.72 1s20 n ASN 139 Cb 0.63 -0.14 0.01 0.00 -2.08 0.00 0.00 39.78 38.19 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 -2.16 -0.60 -4.81 0.53 3.41 -1.26 -4.72 113.62 104.01 1s20 n SER 140 Ca 0.04 -1.44 -0.32 0.00 -0.26 0.00 0.00 58.87 56.89 1s20 n SER 140 Cb 0.43 1.00 0.02 0.00 -0.26 0.00 0.00 64.21 65.40 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 -2.73 3.86 -0.32 -1.33 -4.36 -1.26 -4.44 121.20 110.62 1s20 s ILE 141 Ca 0.05 0.83 -0.28 0.00 -0.26 0.00 0.00 60.65 60.99 1s20 s ILE 141 Cb -0.01 -3.39 -0.02 0.00 1.25 0.00 0.00 42.46 40.29 1s20 s ILE 141 CO 0.03 -0.57 1.85 0.00 0.24 0.00 0.00 174.94 176.50 1s20 s ALA 142 N -2.56 2.83 -0.30 2.27 0.00 -1.26 -4.31 121.76 118.43 1s20 s ALA 142 Ca 0.63 0.31 0.13 0.00 0.00 0.00 0.00 51.96 53.02 1s20 s ALA 142 Cb -0.15 -4.03 0.47 0.00 0.00 0.00 0.00 23.12 19.41 1s20 s ALA 142 CO 0.40 -2.68 1.14 1.33 0.00 0.00 0.00 175.76 175.95 1s20 n VAL 143 N 7.45 2.01 -4.91 0.00 0.24 -0.79 -4.73 118.33 117.60 1s20 n VAL 143 Ca 0.24 -3.82 -0.27 0.00 -2.04 0.00 0.00 64.34 58.45 1s20 n VAL 143 Cb 0.47 -0.26 -0.16 0.00 -1.47 0.00 0.00 33.84 32.41 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 -3.62 1.87 0.83 7.34 0.04 -1.26 -4.73 135.00 135.47 1s20 s PRO 145 Ca 0.41 -0.66 -0.12 0.00 0.04 0.00 0.00 61.00 60.67 1s20 s PRO 145 Cb 0.38 -1.64 0.10 0.00 0.04 0.00 0.00 34.50 33.38 1s20 s PRO 145 CO -0.01 0.29 1.16 -1.25 0.04 0.00 0.00 177.00 177.22 1s20 s PRO 146 N -0.06 1.60 0.09 0.56 0.04 -1.26 -4.80 135.00 131.16 1s20 s PRO 146 Ca -0.02 1.55 -0.32 0.00 0.04 0.00 0.00 61.00 62.25 1s20 s PRO 146 Cb -0.11 -1.79 -0.11 0.00 0.04 0.00 0.00 34.50 32.53 1s20 s PRO 146 CO 0.02 -2.20 1.84 1.87 0.04 0.00 0.00 177.00 178.57 1s20 n TRP 147 N -3.62 2.54 0.00 0.56 -0.00 -1.26 -0.89 117.44 114.77 1s20 n TRP 147 Ca 0.12 -0.12 0.00 0.00 -0.00 0.00 0.00 57.50 57.50 1s20 n TRP 147 Cb 0.52 -2.71 0.00 0.00 -0.00 0.00 0.00 31.31 29.11 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 4.22 0.48 3.82 5.87 0.00 -1.26 -5.06 105.19 113.26 1s20 n GLY 148 Ca 0.19 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.97 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 -2.03 3.96 0.00 4.61 0.00 -0.07 -5.03 121.76 123.20 1s20 s ALA 149 Ca 0.00 -1.77 0.00 0.00 0.00 0.00 0.00 51.96 50.19 1s20 s ALA 149 Cb 0.00 -0.64 0.00 0.00 0.00 0.00 0.00 23.12 22.48 1s20 s ALA 149 CO 0.00 -0.25 0.33 0.36 0.00 0.00 0.00 175.76 176.20 1s20 n LYS 150 N -1.46 -0.37 -4.70 0.00 2.85 -1.26 -4.77 118.16 108.45 1s20 n LYS 150 Ca -0.00 -0.36 -0.33 0.00 -1.05 0.00 0.00 58.31 56.57 1s20 n LYS 150 Cb 0.64 -0.79 -0.14 0.00 -0.65 0.00 0.00 35.03 34.09 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 -0.05 3.45 -0.02 -1.58 2.12 -1.26 -4.82 118.70 116.54 1s20 s GLU 151 Ca 0.00 -0.65 -0.30 0.00 0.36 0.00 0.00 54.97 54.38 1s20 s GLU 151 Cb 0.00 -2.69 -0.07 0.00 0.26 0.00 0.00 34.13 31.63 1s20 s GLU 151 CO 0.00 0.22 1.75 0.00 -0.54 0.00 0.00 175.26 176.69 1s20 n ARG 153 N 7.18 0.00 -4.26 0.00 5.12 -1.26 -4.79 116.66 118.65 1s20 n ARG 153 Ca 0.18 -0.13 -0.16 0.00 -1.93 0.00 0.00 57.85 55.81 1s20 n ARG 153 Cb 0.42 -0.50 -0.10 0.00 -1.16 0.00 0.00 32.46 31.12 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 1.30 0.51 0.55 -4.36 -1.26 -4.78 121.20 113.16 1s20 s ILE 154 Ca 0.00 -1.95 0.06 0.00 -0.26 0.00 0.00 60.65 58.50 1s20 s ILE 154 Cb 0.00 -1.75 0.04 0.00 1.25 0.00 0.00 42.46 42.00 1s20 s ILE 154 CO 0.00 -0.61 0.70 -0.83 0.24 0.00 0.00 174.94 174.44 1s20 s GLY 155 N -2.92 1.86 0.32 6.27 0.00 -1.26 -1.89 107.32 109.71 1s20 s GLY 155 Ca 0.14 -1.69 0.25 0.00 0.00 0.00 0.00 44.72 43.43 1s20 s GLY 155 CO 0.02 -1.40 1.73 -0.91 0.00 0.00 0.00 173.10 172.54 1s20 h THR 156 N 0.32 0.00 -2.06 0.90 1.35 -1.89 -3.47 112.91 108.06 1s20 h THR 156 Ca -0.38 -0.65 0.00 0.00 -0.55 0.00 0.00 66.41 64.83 1s20 h THR 156 Cb 1.28 1.63 0.00 0.00 -1.73 0.00 0.00 68.15 69.33 1s20 h THR 156 CO 0.45 0.00 0.00 0.59 -0.25 0.00 0.00 175.52 176.31 1s20 n ASN 157 N -2.63 0.00 -4.74 5.36 5.03 -1.26 -4.45 115.26 112.57 1s20 n ASN 157 Ca 0.04 0.00 -0.42 0.00 0.87 0.00 0.00 54.58 55.08 1s20 n ASN 157 Cb 0.44 0.00 -0.02 0.00 -1.02 0.00 0.00 39.78 39.18 1s20 n ASN 157 CO 0.00 0.00 0.00 -2.84 -1.83 0.00 0.00 177.26 172.59 1s20 s PRO 158 N -0.30 4.22 -0.20 3.52 0.02 -1.24 -4.79 135.00 136.23 1s20 s PRO 158 Ca 0.00 2.39 -0.05 0.00 0.02 0.00 0.00 61.00 63.36 1s20 s PRO 158 Cb 0.00 -3.10 -0.02 0.00 0.02 0.00 0.00 34.50 31.40 1s20 s PRO 158 CO 0.00 -0.52 0.01 -1.17 -0.33 0.00 0.00 177.00 174.99 1s20 s LEU 159 N -0.06 3.28 -0.13 -5.54 2.96 -1.26 -3.40 118.68 114.53 1s20 s LEU 159 Ca 0.63 -0.19 -0.01 0.00 -0.22 0.00 0.00 54.13 54.34 1s20 s LEU 159 Cb -0.44 -1.83 -0.02 0.00 0.50 0.00 0.00 46.19 44.40 1s20 s LEU 159 CO 0.42 0.06 -0.12 -0.63 -1.32 0.00 0.00 176.35 174.76 1s20 s ILE 160 N 1.02 3.18 -0.18 6.68 1.09 0.40 -4.29 121.20 129.10 1s20 s ILE 160 Ca 0.02 -0.62 -0.04 0.00 -1.10 0.00 0.00 60.65 58.91 1s20 s ILE 160 Cb -0.14 -2.34 0.06 0.00 -1.06 0.00 0.00 42.46 38.97 1s20 s ILE 160 CO 0.02 0.52 0.08 -0.69 -0.10 0.00 0.00 174.94 174.77 1s20 s VAL 161 N 0.29 0.06 -0.05 2.92 1.01 -0.83 -1.23 120.40 122.57 1s20 s VAL 161 Ca -0.09 -0.27 0.06 0.00 0.00 0.00 0.00 61.98 61.68 1s20 s VAL 161 Cb -0.15 -0.69 -0.02 0.00 0.00 0.00 0.00 36.38 35.52 1s20 s VAL 161 CO 0.05 -0.27 -0.23 0.00 0.00 0.00 0.00 175.10 174.65 1s20 s ALA 162 N 2.07 2.28 -0.10 5.51 0.00 0.23 -1.00 121.76 130.75 1s20 s ALA 162 Ca 0.01 -1.04 -0.00 0.00 0.00 0.00 0.00 51.96 50.93 1s20 s ALA 162 Cb -0.16 -0.73 -0.03 0.00 0.00 0.00 0.00 23.12 22.20 1s20 s ALA 162 CO -0.09 0.46 -0.08 0.42 0.00 0.00 0.00 175.76 176.46 1s20 s ILE 163 N -0.35 3.53 0.00 0.00 -1.09 0.18 -0.57 121.20 122.90 1s20 s ILE 163 Ca 0.02 -0.52 -0.02 0.00 -2.23 0.00 0.00 60.65 57.90 1s20 s ILE 163 Cb -0.12 -2.47 -0.08 0.00 -1.58 0.00 0.00 42.46 38.21 1s20 s ILE 163 CO 0.02 0.56 1.68 -0.81 -1.23 0.00 0.00 174.94 175.16 1s20 n PRO 164 N 2.81 0.83 -1.95 2.79 -0.04 -1.26 -2.70 135.00 135.48 1s20 n PRO 164 Ca -0.18 -0.29 -0.18 0.00 -0.04 0.00 0.00 63.50 62.81 1s20 n PRO 164 Cb 0.53 -1.53 0.10 0.00 -0.04 0.00 0.00 33.50 32.56 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 2.28 0.85 -3.81 3.54 3.41 -1.26 -4.96 113.62 113.66 1s20 n SER 165 Ca 0.13 -1.76 -0.29 0.00 -0.26 0.00 0.00 58.87 56.68 1s20 n SER 165 Cb 0.39 -0.53 -0.16 0.00 -0.26 0.00 0.00 64.21 63.66 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 -2.39 0.95 1.12 6.66 2.01 -1.26 -2.36 115.64 120.37 1s20 s THR 166 Ca 0.50 -0.92 -0.17 0.00 0.31 0.00 0.00 61.69 61.41 1s20 s THR 166 Cb -0.03 -1.40 0.25 0.00 0.01 0.00 0.00 72.50 71.33 1s20 s THR 166 CO 0.34 -0.23 1.13 -2.84 -0.69 0.00 0.00 174.62 172.32 1s20 s PRO 167 N 1.65 -0.59 0.14 4.92 0.02 -1.26 -5.02 135.00 134.85 1s20 s PRO 167 Ca -0.01 0.02 -0.31 0.00 0.02 0.00 0.00 61.00 60.72 1s20 s PRO 167 Cb -0.18 -1.66 -0.08 0.00 0.02 0.00 0.00 34.50 32.60 1s20 s PRO 167 CO -0.09 -3.31 1.35 0.42 -0.33 0.00 0.00 177.00 175.03 1s20 s ILE 168 N -3.11 3.34 0.13 2.83 1.01 -0.99 -5.00 121.20 119.40 1s20 s ILE 168 Ca 0.70 1.00 0.02 0.00 0.00 0.00 0.00 60.65 62.37 1s20 s ILE 168 Cb -0.11 -3.64 -0.04 0.00 0.01 0.00 0.00 42.46 38.68 1s20 s ILE 168 CO 0.56 0.10 0.22 -0.89 0.00 0.00 0.00 174.94 174.93 1s20 s THR 169 N 0.79 5.11 -0.23 2.92 2.01 -1.10 -4.27 115.64 120.87 1s20 s THR 169 Ca 0.62 -0.70 -0.04 0.00 0.31 0.00 0.00 61.69 61.87 1s20 s THR 169 Cb -0.36 -3.58 0.12 0.00 0.01 0.00 0.00 72.50 68.69 1s20 s THR 169 CO 0.33 -0.02 0.43 0.68 -0.69 0.00 0.00 174.62 175.34 1s20 s VAL 171 N -1.66 -0.68 -0.05 3.82 -7.23 -0.17 0.50 120.40 114.93 1s20 s VAL 171 Ca 0.33 0.03 0.04 0.00 -1.81 0.00 0.00 61.98 60.58 1s20 s VAL 171 Cb -0.11 -0.78 -0.02 0.00 0.56 0.00 0.00 36.38 36.02 1s20 s VAL 171 CO 0.27 -0.03 -0.17 -0.62 -0.31 0.00 0.00 175.10 174.23 1s20 s ASP 172 N 2.62 3.77 0.00 4.85 2.15 -1.26 -1.96 116.67 126.83 1s20 s ASP 172 Ca 0.07 -0.28 0.00 0.00 0.43 0.00 0.00 52.55 52.78 1s20 s ASP 172 Cb -0.14 -0.78 0.00 0.00 -0.30 0.00 0.00 42.92 41.70 1s20 s ASP 172 CO -0.15 0.32 0.00 -1.54 -0.17 0.00 0.00 175.17 173.63 1s20 n SER 174 N 2.44 0.00 0.00 -0.34 3.41 -1.26 -5.00 113.62 112.87 1s20 n SER 174 Ca -0.17 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.44 1s20 n SER 174 Cb 0.52 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.47 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 -2.88 4.04 3.41 -1.26 -4.90 113.62 112.04 1s20 n SER 176 Ca 0.00 0.00 -0.26 0.00 -0.26 0.00 0.00 58.87 58.35 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 0.90 -2.81 -3.69 7.33 3.01 -1.26 -4.99 117.46 115.95 1s20 n PHE 178 Ca 0.00 0.15 -0.31 0.00 1.01 0.00 0.00 57.45 58.31 1s20 n PHE 178 Cb 0.00 -1.09 -0.04 0.00 -0.01 0.00 0.00 39.48 38.34 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 -0.70 6.45 0.54 4.37 1.04 -1.26 -4.94 113.70 119.21 1s20 s SER 179 Ca 0.34 0.52 0.24 0.00 0.48 0.00 0.00 55.95 57.53 1s20 s SER 179 Cb -0.24 -2.06 1.42 0.00 0.10 0.00 0.00 66.02 65.24 1s20 s SER 179 CO 0.52 0.04 2.04 1.88 0.98 0.00 0.00 173.24 178.70 1s20 h TYR 180 N 2.65 0.00 0.00 5.02 -1.99 -2.00 -2.18 116.97 118.48 1s20 h TYR 180 Ca -0.46 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.27 1s20 h TYR 180 Cb 1.17 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.90 1s20 h TYR 180 CO 0.60 0.00 0.00 0.41 -0.00 0.00 0.00 178.16 179.17 1s20 n GLY 181 N -1.57 0.17 2.59 3.88 0.00 -1.26 -2.09 105.19 106.90 1s20 n GLY 181 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 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 0.54 0.00 -0.16 0.99 4.77 -0.82 -2.23 117.00 120.09 1s20 n LEU 183 Ca 0.00 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.89 1s20 n LEU 183 Cb 0.03 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.12 1s20 n LEU 183 CO 0.00 0.00 0.86 -0.08 -1.33 0.00 0.00 177.39 176.84 1s20 h GLU 184 N 0.00 0.74 -0.38 3.23 4.81 -1.71 -1.51 114.58 119.75 1s20 h GLU 184 Ca 0.00 -0.19 0.08 0.00 -0.13 0.00 0.00 59.36 59.12 1s20 h GLU 184 Cb 0.00 -0.09 -0.08 0.00 0.63 0.00 0.00 28.75 29.21 1s20 h GLU 184 CO 0.00 0.75 -0.14 0.28 -0.73 0.00 0.00 179.01 179.16 1s20 h VAL 185 N 0.61 0.52 0.25 0.32 2.07 -1.73 -0.39 116.25 117.89 1s20 h VAL 185 Ca 0.14 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.65 1s20 h VAL 185 Cb 0.35 0.52 0.00 0.00 -1.52 0.00 0.00 31.29 30.65 1s20 h VAL 185 CO 0.01 0.00 -0.12 0.78 0.02 0.00 0.00 177.57 178.26 1s20 h ASN 186 N -0.06 -0.28 -0.50 0.57 4.21 -1.83 -2.96 115.58 114.73 1s20 h ASN 186 Ca 0.19 -0.17 0.10 0.00 1.21 0.00 0.00 56.30 57.63 1s20 h ASN 186 Cb 0.35 0.07 -0.10 0.00 -1.12 0.00 0.00 38.32 37.52 1s20 h ASN 186 CO -0.43 0.03 -0.19 -0.09 -1.29 0.00 0.00 177.43 175.46 1s20 h ARG 187 N -0.61 -0.07 -0.27 0.81 2.43 -0.99 0.20 114.38 115.88 1s20 h ARG 187 Ca -0.03 0.00 0.08 0.00 -0.81 0.00 0.00 59.98 59.22 1s20 h ARG 187 Cb 0.44 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.99 1s20 h ARG 187 CO 0.06 -0.05 0.20 -0.07 -1.51 0.00 0.00 179.97 178.60 1s20 h LEU 188 N -0.08 0.00 -2.88 3.80 4.07 -1.11 0.69 115.31 119.80 1s20 h LEU 188 Ca 0.24 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.20 1s20 h LEU 188 Cb 0.44 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.18 1s20 h LEU 188 CO -0.56 0.00 0.00 0.00 -1.08 0.00 0.00 178.44 176.80 1s20 n ALA 189 N -2.58 2.92 -3.85 1.53 0.00 0.53 -4.93 120.51 114.13 1s20 n ALA 189 Ca 0.04 -1.44 -0.28 0.00 0.00 0.00 0.00 53.44 51.76 1s20 n ALA 189 Cb 0.36 -1.01 0.03 0.00 0.00 0.00 0.00 19.45 18.83 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 1.23 -0.44 3.42 0.00 0.00 0.23 -4.96 105.19 104.67 1s20 n GLY 190 Ca 0.24 0.18 -0.31 0.00 0.00 0.00 0.00 46.02 46.13 1s20 n GLY 190 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1s20 s ARG 191 N -6.44 2.19 0.29 1.61 3.52 -0.21 -5.01 118.95 114.89 1s20 s ARG 191 Ca 0.47 -0.89 -0.11 0.00 -0.13 0.00 0.00 55.73 55.07 1s20 s ARG 191 Cb -0.24 -2.19 -0.07 0.00 -1.56 0.00 0.00 34.95 30.89 1s20 s ARG 191 CO 0.82 0.57 0.63 -0.65 -0.81 0.00 0.00 175.30 175.87 1s20 s GLN 192 N -1.00 3.85 0.49 5.12 -1.52 -1.26 -4.10 119.66 121.23 1s20 s GLN 192 Ca 0.12 0.40 -0.22 0.00 -1.95 0.00 0.00 55.36 53.71 1s20 s GLN 192 Cb -0.10 -2.55 -0.06 0.00 -0.22 0.00 0.00 33.01 30.07 1s20 s GLN 192 CO 0.02 0.21 1.23 -0.51 -0.25 0.00 0.00 175.29 175.99 1s20 s LEU 193 N -3.06 3.95 0.54 2.90 2.01 -0.20 -4.91 118.68 119.92 1s20 s LEU 193 Ca 0.50 2.46 0.28 0.00 0.01 0.00 0.00 54.13 57.37 1s20 s LEU 193 Cb -0.11 -4.26 1.54 0.00 0.01 0.00 0.00 46.19 43.37 1s20 s LEU 193 CO 0.22 -1.14 2.12 1.55 1.01 0.00 0.00 176.35 180.11 1s20 h PRO 194 N 1.84 0.00 -3.73 1.29 0.13 -1.97 -3.44 132.00 126.12 1s20 h PRO 194 Ca -0.50 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.53 1s20 h PRO 194 Cb 1.27 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.24 1s20 h PRO 194 CO 0.59 0.09 -0.39 0.14 -0.23 0.00 0.00 178.00 178.20 1s20 s VAL 195 N -4.32 0.13 0.13 1.56 -7.23 -1.26 -5.12 120.40 104.29 1s20 s VAL 195 Ca -0.03 -1.09 -0.34 0.00 -1.81 0.00 0.00 61.98 58.70 1s20 s VAL 195 Cb 0.14 -1.18 -0.16 0.00 0.56 0.00 0.00 36.38 35.74 1s20 s VAL 195 CO 0.58 -0.60 1.19 0.47 -0.31 0.00 0.00 175.10 176.42 1s20 n ASP 196 N 0.24 1.26 -0.12 4.85 10.43 -1.26 -4.81 116.55 127.14 1s20 n ASP 196 Ca -0.16 1.14 0.01 0.00 2.57 0.00 0.00 54.79 58.34 1s20 n ASP 196 Cb 0.61 -1.18 0.02 0.00 1.84 0.00 0.00 41.12 42.41 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 2.13 0.03 0.00 0.44 0.00 -1.01 -4.96 105.19 101.82 1s20 n GLY 197 Ca 0.16 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.05 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 -0.28 -1.00 3.63 -0.02 0.00 -1.19 -0.68 105.19 105.65 1s20 n GLY 198 Ca 0.02 -1.15 -0.29 0.00 0.00 0.00 0.00 46.02 44.60 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 -2.00 2.83 0.22 1.61 0.08 -0.76 -0.68 117.98 119.28 1s20 s PHE 199 Ca 0.00 -0.12 -0.01 0.00 0.12 0.00 0.00 56.93 56.92 1s20 s PHE 199 Cb 0.00 -1.44 0.05 0.00 -0.57 0.00 0.00 43.02 41.06 1s20 s PHE 199 CO 0.00 0.47 0.30 -0.40 -0.10 0.00 0.00 175.22 175.49 1s20 n ASP 200 N 0.40 0.26 0.29 1.36 3.85 0.88 -4.61 116.55 118.97 1s20 n ASP 200 Ca -0.11 -1.25 0.18 0.00 -0.71 0.00 0.00 54.79 52.90 1s20 n ASP 200 Cb 0.53 -0.20 0.83 0.00 -1.35 0.00 0.00 41.12 40.92 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 -0.26 0.00 -0.19 -1.12 3.45 -1.91 -2.06 116.42 114.33 1s20 h ASP 201 Ca -0.10 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.36 1s20 h ASP 201 Cb 0.32 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.09 1s20 h ASP 201 CO 0.09 0.02 0.00 -0.62 -1.57 0.00 0.00 179.24 177.16 1s20 n GLU 202 N -3.15 2.09 -1.90 3.56 -0.58 -1.26 -4.94 120.64 114.46 1s20 n GLU 202 Ca -0.01 -1.62 0.00 0.00 -0.42 0.00 0.00 57.16 55.12 1s20 n GLU 202 Cb 0.24 -1.46 0.00 0.00 -0.57 0.00 0.00 31.44 29.65 1s20 n GLU 202 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1s20 n GLY 203 N 1.30 0.37 3.60 0.62 0.00 -0.77 -5.06 105.19 105.26 1s20 n GLY 203 Ca 0.17 -0.91 -0.31 0.00 0.00 0.00 0.00 46.02 44.97 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 -3.00 4.62 0.57 1.61 0.02 -1.26 -4.83 114.94 112.68 1s20 s ASN 204 Ca 0.00 -0.19 -0.21 0.00 -1.02 0.00 0.00 52.86 51.44 1s20 s ASN 204 Cb 0.00 -1.05 -0.04 0.00 0.02 0.00 0.00 41.25 40.19 1s20 s ASN 204 CO 0.00 0.25 1.32 -0.76 0.02 0.00 0.00 177.10 177.93 1s20 s LEU 205 N -1.67 3.77 0.04 0.60 1.43 -1.26 -0.08 118.68 121.50 1s20 s LEU 205 Ca 0.19 2.67 -0.20 0.00 -1.03 0.00 0.00 54.13 55.76 1s20 s LEU 205 Cb -0.11 -4.40 0.04 0.00 0.03 0.00 0.00 46.19 41.76 1s20 s LEU 205 CO 0.10 -1.66 0.46 0.28 0.23 0.00 0.00 176.35 175.76 1s20 s THR 206 N -1.37 0.04 -0.69 5.49 -1.32 0.14 -4.76 115.64 113.18 1s20 s THR 206 Ca 0.75 -0.35 0.12 0.00 -1.21 0.00 0.00 61.69 61.00 1s20 s THR 206 Cb -0.38 -0.94 0.38 0.00 -1.51 0.00 0.00 72.50 70.04 1s20 s THR 206 CO 0.44 -0.19 1.31 0.29 -2.21 0.00 0.00 174.62 174.25 1s20 n LYS 207 N 0.52 2.90 -3.06 7.08 5.02 -1.26 -2.40 118.16 126.97 1s20 n LYS 207 Ca -0.19 -2.29 -0.43 0.00 -2.02 0.00 0.00 58.31 53.38 1s20 n LYS 207 Cb 0.60 -1.45 -0.06 0.00 -0.02 0.00 0.00 35.03 34.10 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 -1.56 3.20 0.15 1.97 -6.30 -1.26 -1.03 118.70 113.88 1s20 s GLU 208 Ca 0.29 -0.64 -0.22 0.00 -2.50 0.00 0.00 54.97 51.90 1s20 s GLU 208 Cb 0.19 -4.07 0.04 0.00 0.00 0.00 0.00 34.13 30.29 1s20 s GLU 208 CO 0.14 -1.28 1.63 -1.35 0.02 0.00 0.00 175.26 174.42 1s20 h PRO 209 N 9.08 -0.21 -0.31 4.30 0.11 -1.88 -3.20 132.00 139.89 1s20 h PRO 209 Ca -0.27 0.01 0.04 0.00 0.11 0.00 0.00 66.00 65.89 1s20 h PRO 209 Cb 1.09 0.05 -0.06 0.00 0.11 0.00 0.00 31.00 32.19 1s20 h PRO 209 CO 0.99 -0.14 -0.39 0.78 -0.21 0.00 0.00 178.00 179.03 1s20 h GLY 210 N -0.22 -1.31 0.31 -0.55 0.00 -1.93 0.72 103.07 100.10 1s20 h GLY 210 Ca 0.15 0.77 0.20 0.00 0.00 0.00 0.00 47.33 48.44 1s20 h GLY 210 CO -0.40 -0.31 0.59 -0.24 0.00 0.00 0.00 176.54 176.19 1s20 h VAL 211 N -0.26 0.69 -0.15 4.60 3.04 -1.96 -1.17 116.25 121.04 1s20 h VAL 211 Ca 0.05 -0.16 -0.14 0.00 -1.01 0.00 0.00 66.70 65.45 1s20 h VAL 211 Cb 0.40 0.20 0.00 0.00 -2.01 0.00 0.00 31.29 29.89 1s20 h VAL 211 CO -0.43 0.08 -0.45 0.40 -1.01 0.00 0.00 177.57 176.17 1s20 h ILE 212 N 0.46 1.35 0.00 3.17 2.04 -1.22 -2.36 117.51 120.94 1s20 h ILE 212 Ca 0.47 -1.72 -0.00 0.00 1.00 0.00 0.00 64.86 64.61 1s20 h ILE 212 Cb 1.11 2.03 -0.00 0.00 -0.74 0.00 0.00 36.82 39.21 1s20 h ILE 212 CO -0.19 0.52 -0.02 -0.33 0.00 0.00 0.00 178.15 178.13 1s20 h GLU 213 N 0.21 0.00 0.01 2.37 5.08 0.29 -0.29 114.58 122.25 1s20 h GLU 213 Ca -0.01 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.22 1s20 h GLU 213 Cb 1.07 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.30 1s20 h GLU 213 CO 0.10 0.02 -0.70 -0.22 -1.00 0.00 0.00 179.01 177.20 1s20 h LYS 214 N 0.00 0.01 -0.00 2.33 1.63 -1.19 -3.37 116.57 115.98 1s20 h LYS 214 Ca -0.00 -0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.78 1s20 h LYS 214 Cb 0.12 0.01 0.00 0.00 -0.60 0.00 0.00 32.23 31.76 1s20 h LYS 214 CO 0.00 1.01 -0.31 0.27 -3.45 0.00 0.00 179.45 176.97 1s20 n ASN 215 N -4.49 0.57 -1.09 4.20 0.23 -0.91 -4.93 115.26 108.84 1s20 n ASN 215 Ca -0.22 -0.38 -0.14 0.00 -0.53 0.00 0.00 54.58 53.31 1s20 n ASN 215 Cb 0.60 0.08 -0.06 0.00 -2.08 0.00 0.00 39.78 38.32 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 -1.19 -1.22 -1.72 -3.83 5.12 -0.12 -4.88 116.66 108.81 1s20 n ARG 216 Ca 0.09 0.99 -0.35 0.00 -1.93 0.00 0.00 57.85 56.64 1s20 n ARG 216 Cb 0.33 -5.19 -0.03 0.00 -1.16 0.00 0.00 32.46 26.41 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 -2.12 3.83 -2.09 5.56 1.74 -1.25 -4.52 116.66 117.81 1s20 n ARG 217 Ca -0.14 -2.88 -0.41 0.00 -0.77 0.00 0.00 57.85 53.65 1s20 n ARG 217 Cb 0.53 -2.51 -0.02 0.00 -1.02 0.00 0.00 32.46 29.44 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 -0.79 2.68 0.04 0.55 2.07 -1.26 -1.83 121.20 122.66 1s20 s ILE 218 Ca 0.58 0.68 -0.30 0.00 -1.41 0.00 0.00 60.65 60.20 1s20 s ILE 218 Cb 0.24 -3.43 -0.04 0.00 0.13 0.00 0.00 42.46 39.35 1s20 s ILE 218 CO -0.11 0.16 0.97 -0.22 -1.91 0.00 0.00 174.94 173.82 1s20 s LEU 219 N -1.71 4.42 0.00 8.50 2.96 0.14 -4.56 118.68 128.43 1s20 s LEU 219 Ca 0.50 1.70 0.00 0.00 -0.22 0.00 0.00 54.13 56.11 1s20 s LEU 219 Cb -0.40 -3.57 0.00 0.00 0.50 0.00 0.00 46.19 42.72 1s20 s LEU 219 CO 0.53 -0.18 0.00 -2.65 -1.32 0.00 0.00 176.35 172.73 1s20 n PRO 220 N 3.46 0.00 -0.17 0.98 -0.02 -1.26 -4.40 135.00 133.58 1s20 n PRO 220 Ca 0.04 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.52 1s20 n PRO 220 Cb 0.50 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.98 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 3.56 0.00 7.00 -1.23 0.00 -1.26 -4.80 105.19 108.46 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 0.23 1.61 4.01 -1.26 -0.70 117.16 121.05 1s20 n TYR 223 Ca 0.00 0.00 0.10 0.00 -0.16 0.00 0.00 57.90 57.84 1s20 n TYR 223 Cb 0.00 0.00 0.49 0.00 -0.31 0.00 0.00 39.34 39.52 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 -0.09 -0.72 0.09 -1.97 -2.68 115.95 110.58 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 0.22 0.02 0.87 0.09 0.00 0.00 178.44 179.64 1s20 h LYS 225 N 0.00 0.15 -0.43 0.12 1.57 -1.30 -0.65 116.57 116.04 1s20 h LYS 225 Ca -0.00 -0.04 -0.15 0.00 -1.87 0.00 0.00 60.65 58.59 1s20 h LYS 225 Cb 0.70 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.98 1s20 h LYS 225 CO 0.03 0.35 -0.32 0.78 -0.57 0.00 0.00 179.45 179.73 1s20 h GLY 226 N -0.07 1.05 0.92 3.86 0.00 -1.63 -3.14 103.07 104.06 1s20 h GLY 226 Ca 0.03 -1.01 0.02 0.00 0.00 0.00 0.00 47.33 46.36 1s20 h GLY 226 CO 0.00 0.92 0.25 0.23 0.00 0.00 0.00 176.54 177.94 1s20 h SER 227 N 0.81 0.42 0.00 0.19 0.87 -1.41 -0.45 113.55 113.97 1s20 h SER 227 Ca 0.08 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.64 1s20 h SER 227 Cb 0.90 -0.09 0.00 0.00 -0.44 0.00 0.00 62.40 62.78 1s20 h SER 227 CO 0.08 0.30 0.00 0.61 -0.53 0.00 0.00 176.83 177.30 1s20 n GLY 228 N -1.21 0.37 2.16 5.77 0.00 -0.26 -2.50 105.19 109.52 1s20 n GLY 228 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 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 0.69 0.00 -0.11 1.61 2.88 -0.18 -1.95 113.62 116.56 1s20 n SER 230 Ca 0.00 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.44 1s20 n SER 230 Cb 0.08 0.00 -0.02 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 1.21 -0.04 2.46 2.04 -1.75 -1.66 117.51 119.78 1s20 h ILE 231 Ca 0.00 -0.69 -0.15 0.00 1.00 0.00 0.00 64.86 65.02 1s20 h ILE 231 Cb 0.00 1.06 -0.01 0.00 -0.74 0.00 0.00 36.82 37.13 1s20 h ILE 231 CO 0.00 0.23 -0.64 -0.37 0.00 0.00 0.00 178.15 177.37 1s20 h VAL 232 N 0.36 1.42 -0.38 1.67 -1.51 -1.69 -2.87 116.25 113.26 1s20 h VAL 232 Ca 0.10 -2.11 -0.12 0.00 -1.23 0.00 0.00 66.70 63.34 1s20 h VAL 232 Cb 0.27 2.11 -0.01 0.00 -2.13 0.00 0.00 31.29 31.52 1s20 h VAL 232 CO -0.00 0.61 -0.25 -0.07 -1.23 0.00 0.00 177.57 176.63 1s20 h LEU 233 N 0.10 0.78 -1.80 4.19 3.38 -1.81 -1.85 115.31 118.31 1s20 h LEU 233 Ca -0.01 -0.29 0.00 0.00 0.09 0.00 0.00 57.88 57.67 1s20 h LEU 233 Cb 1.15 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.68 1s20 h LEU 233 CO 0.09 1.00 0.00 -0.67 0.09 0.00 0.00 178.44 178.95 1s20 n ASP 234 N -4.10 0.96 0.00 -0.43 2.03 -0.63 -2.09 116.55 112.29 1s20 n ASP 234 Ca -0.00 -0.74 0.00 0.00 0.52 0.00 0.00 54.79 54.57 1s20 n ASP 234 Cb 0.45 -0.19 0.00 0.00 -0.72 0.00 0.00 41.12 40.66 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 0.71 0.00 0.08 5.18 5.41 -0.70 -1.25 119.36 128.80 1s20 n ILE 236 Ca 0.00 0.00 0.01 0.00 1.00 0.00 0.00 62.75 63.76 1s20 n ILE 236 Cb 0.17 0.00 0.35 0.00 -0.71 0.00 0.00 39.64 39.44 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 1.42 -0.07 -1.39 0.00 -1.69 -1.31 119.26 116.23 1s20 h ALA 237 Ca 0.00 -0.23 -0.07 0.00 0.00 0.00 0.00 54.91 54.61 1s20 h ALA 237 Cb 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.69 1s20 h ALA 237 CO 0.00 0.40 -0.24 1.15 0.00 0.00 0.00 179.25 180.56 1s20 h THR 238 N 0.30 1.43 0.71 0.00 2.02 -1.44 -3.06 112.91 112.88 1s20 h THR 238 Ca 0.06 -1.65 -0.03 0.00 0.77 0.00 0.00 66.41 65.56 1s20 h THR 238 Cb 0.41 2.32 0.01 0.00 -1.74 0.00 0.00 68.15 69.15 1s20 h THR 238 CO 0.02 0.47 -0.34 -0.07 0.37 0.00 0.00 175.52 175.97 1s20 h LEU 239 N -0.23 -0.81 -2.25 2.58 3.38 -1.76 0.33 115.31 116.55 1s20 h LEU 239 Ca -0.01 0.03 0.02 0.00 0.09 0.00 0.00 57.88 58.01 1s20 h LEU 239 Cb 0.88 0.21 -0.00 0.00 0.09 0.00 0.00 40.66 41.84 1s20 h LEU 239 CO 0.05 -0.44 0.07 -0.07 0.09 0.00 0.00 178.44 178.15 1s20 h LEU 240 N -1.25 0.00 -0.37 1.67 4.07 -1.41 -1.19 115.31 116.83 1s20 h LEU 240 Ca -0.10 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.86 1s20 h LEU 240 Cb 0.73 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.47 1s20 h LEU 240 CO 0.16 0.00 -0.69 -1.54 -1.08 0.00 0.00 178.44 175.29 1s20 n SER 241 N -4.06 1.25 -3.90 -0.43 3.41 -1.15 -4.74 113.62 103.99 1s20 n SER 241 Ca -0.01 -1.13 -0.26 0.00 -0.26 0.00 0.00 58.87 57.22 1s20 n SER 241 Cb 0.18 0.79 -0.00 0.00 -0.26 0.00 0.00 64.21 64.92 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 -0.89 -1.34 -0.34 4.04 -0.08 0.10 -4.57 116.55 113.46 1s20 n ASP 242 Ca 0.05 -0.93 0.00 0.00 -1.51 0.00 0.00 54.79 52.40 1s20 n ASP 242 Cb 0.33 -3.41 0.00 0.00 2.34 0.00 0.00 41.12 40.39 1s20 n ASP 242 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1s20 n GLY 243 N -1.78 6.42 3.78 0.27 0.00 -0.26 -5.02 105.19 108.61 1s20 n GLY 243 Ca -0.23 -2.06 -0.38 0.00 0.00 0.00 0.00 46.02 43.35 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 3.35 0.57 4.61 0.00 -1.26 -4.82 121.76 122.21 1s20 s ALA 244 Ca 0.00 0.40 0.06 0.00 0.00 0.00 0.00 51.96 52.42 1s20 s ALA 244 Cb 0.00 -3.03 0.10 0.00 0.00 0.00 0.00 23.12 20.19 1s20 s ALA 244 CO 0.00 0.25 0.76 -1.13 0.00 0.00 0.00 175.76 175.64 1s20 n SER 245 N 1.04 1.65 -0.13 0.00 3.41 -1.26 -4.13 113.62 114.18 1s20 n SER 245 Ca -0.02 -2.24 -0.06 0.00 -0.26 0.00 0.00 58.87 56.29 1s20 n SER 245 Cb 0.49 -0.43 0.02 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 -0.12 1.00 -0.02 -3.33 2.07 -1.91 -0.16 116.25 113.78 1s20 h VAL 246 Ca -0.25 -0.16 0.00 0.00 0.82 0.00 0.00 66.70 67.11 1s20 h VAL 246 Cb 1.09 0.50 -0.00 0.00 -1.52 0.00 0.00 31.29 31.35 1s20 h VAL 246 CO 0.33 0.08 -0.01 0.00 0.02 0.00 0.00 177.57 178.00 1s20 h ALA 247 N 1.21 0.01 0.15 1.67 0.00 -1.87 -1.54 119.26 118.89 1s20 h ALA 247 Ca 0.18 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 1s20 h ALA 247 Cb 0.06 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 1s20 h ALA 247 CO -0.11 -0.50 -0.10 1.49 0.00 0.00 0.00 179.25 180.03 1s20 h GLU 248 N -0.00 -0.25 -0.76 0.00 4.81 -1.84 -1.94 114.58 114.61 1s20 h GLU 248 Ca 0.01 0.02 0.01 0.00 -0.13 0.00 0.00 59.36 59.27 1s20 h GLU 248 Cb 0.02 0.06 -0.04 0.00 0.63 0.00 0.00 28.75 29.41 1s20 h GLU 248 CO -0.02 -0.16 0.50 0.28 -0.73 0.00 0.00 179.01 178.87 1s20 h VAL 249 N -0.26 1.18 -0.72 0.32 2.07 -0.99 0.44 116.25 118.30 1s20 h VAL 249 Ca -0.01 -0.35 -0.05 0.00 0.82 0.00 0.00 66.70 67.12 1s20 h VAL 249 Cb 0.22 0.08 -0.03 0.00 -1.52 0.00 0.00 31.29 30.04 1s20 h VAL 249 CO 0.00 0.19 0.27 0.74 0.02 0.00 0.00 177.57 178.79 1s20 h THR 250 N 1.02 1.25 0.00 2.57 2.02 -1.12 -2.58 112.91 116.06 1s20 h THR 250 Ca 0.28 -0.81 -0.37 0.00 0.77 0.00 0.00 66.41 66.28 1s20 h THR 250 Cb -0.10 0.41 -0.07 0.00 -1.74 0.00 0.00 68.15 66.65 1s20 h THR 250 CO -0.07 0.32 -2.36 0.00 0.37 0.00 0.00 175.52 173.78 1s20 n GLN 251 N -4.28 0.68 0.01 6.66 6.02 -0.74 -4.48 117.38 121.25 1s20 n GLN 251 Ca 0.06 0.03 0.12 0.00 -0.01 0.00 0.00 57.00 57.21 1s20 n GLN 251 Cb 0.19 -1.54 0.25 0.00 1.02 0.00 0.00 30.24 30.16 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 -2.85 0.51 -4.54 1.08 9.92 0.15 -4.92 116.55 115.90 1s20 n ASP 252 Ca -0.34 -0.17 -0.27 0.00 -0.53 0.00 0.00 54.79 53.48 1s20 n ASP 252 Cb 1.13 0.23 -0.10 0.00 -0.64 0.00 0.00 41.12 41.74 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 -3.19 4.09 0.45 -2.24 0.02 -0.97 -5.02 114.94 108.07 1s20 s ASN 253 Ca 0.10 -0.62 0.24 0.00 -1.02 0.00 0.00 52.86 51.56 1s20 s ASN 253 Cb 0.17 -0.63 0.50 0.00 0.02 0.00 0.00 41.25 41.31 1s20 s ASN 253 CO 0.70 0.11 1.67 0.77 0.02 0.00 0.00 177.10 180.37 1s20 h SER 254 N 3.03 0.00 -1.78 -1.22 4.64 -1.91 -3.46 113.55 112.85 1s20 h SER 254 Ca -0.47 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 60.82 1s20 h SER 254 Cb 1.20 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.29 1s20 h SER 254 CO 0.52 0.03 0.04 -0.67 -0.87 0.00 0.00 176.83 175.88 1s20 n ASP 255 N -3.11 -0.55 -4.57 4.97 -0.08 -1.26 -5.08 116.55 106.88 1s20 n ASP 255 Ca 0.03 -1.47 -0.38 0.00 -1.51 0.00 0.00 54.79 51.46 1s20 n ASP 255 Cb 0.50 0.94 -0.03 0.00 2.34 0.00 0.00 41.12 44.87 1s20 n ASP 255 CO 0.00 0.00 0.00 -0.70 0.12 0.00 0.00 177.20 176.62 1s20 s GLU 256 N -2.09 3.44 0.12 -0.67 2.12 -1.26 -4.88 118.70 115.47 1s20 s GLU 256 Ca 0.06 -1.23 -0.14 0.00 0.36 0.00 0.00 54.97 54.02 1s20 s GLU 256 Cb -0.01 -5.35 0.02 0.00 0.26 0.00 0.00 34.13 29.05 1s20 s GLU 256 CO 0.04 -2.56 0.34 1.52 -0.54 0.00 0.00 175.26 174.07 1s20 s TYR 257 N 6.09 -0.11 -0.37 5.30 1.13 -1.26 -4.59 117.35 123.54 1s20 s TYR 257 Ca 0.54 -0.24 -0.00 0.00 -1.41 0.00 0.00 57.07 55.95 1s20 s TYR 257 Cb -0.00 0.17 0.00 0.00 -1.10 0.00 0.00 41.96 41.03 1s20 s TYR 257 CO -0.02 -0.66 0.03 0.41 -2.51 0.00 0.00 175.55 172.81 1s20 n GLY 258 N -0.18 0.24 3.94 5.49 0.00 0.20 -4.93 105.19 109.95 1s20 n GLY 258 Ca -0.16 -0.67 -0.26 0.00 0.00 0.00 0.00 46.02 44.93 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 -2.33 2.17 -0.06 -0.61 -4.36 -0.47 -4.24 121.20 111.31 1s20 s ILE 259 Ca 0.02 -0.26 0.04 0.00 -0.26 0.00 0.00 60.65 60.19 1s20 s ILE 259 Cb -0.01 -2.92 -0.02 0.00 1.25 0.00 0.00 42.46 40.76 1s20 s ILE 259 CO 0.02 0.00 -0.16 -0.44 0.24 0.00 0.00 174.94 174.60 1s20 s SER 260 N -4.64 3.88 0.03 4.36 0.01 -1.26 -1.24 113.70 114.84 1s20 s SER 260 Ca 0.64 -0.26 0.02 0.00 1.31 0.00 0.00 55.95 57.67 1s20 s SER 260 Cb -0.08 -0.93 -0.02 0.00 0.21 0.00 0.00 66.02 65.20 1s20 s SER 260 CO 0.47 0.31 -0.08 -1.10 0.41 0.00 0.00 173.24 173.24 1s20 s GLN 261 N -0.51 0.56 -0.09 12.44 -0.21 -0.33 -1.77 119.66 129.75 1s20 s GLN 261 Ca 0.07 -0.61 0.03 0.00 0.02 0.00 0.00 55.36 54.86 1s20 s GLN 261 Cb -0.12 -0.41 -0.01 0.00 1.00 0.00 0.00 33.01 33.47 1s20 s GLN 261 CO 0.01 0.09 -0.19 0.42 -2.12 0.00 0.00 175.29 173.51 1s20 s ILE 262 N -0.98 2.60 -0.11 1.08 -1.09 0.52 -0.71 121.20 122.50 1s20 s ILE 262 Ca -0.05 -0.85 0.02 0.00 -2.23 0.00 0.00 60.65 57.53 1s20 s ILE 262 Cb -0.08 -2.02 0.02 0.00 -1.58 0.00 0.00 42.46 38.80 1s20 s ILE 262 CO 0.00 0.56 -0.15 -0.36 -1.23 0.00 0.00 174.94 173.76 1s20 s PHE 263 N -0.00 1.99 -0.03 3.97 0.08 -0.33 -1.73 117.98 121.93 1s20 s PHE 263 Ca -0.06 -0.95 0.02 0.00 0.12 0.00 0.00 56.93 56.06 1s20 s PHE 263 Cb -0.15 -1.44 0.00 0.00 -0.57 0.00 0.00 43.02 40.87 1s20 s PHE 263 CO 0.05 -0.50 -0.09 0.42 -0.10 0.00 0.00 175.22 175.00 1s20 s ILE 264 N 1.05 0.78 -0.01 0.64 1.01 0.16 -0.07 121.20 124.75 1s20 s ILE 264 Ca -0.05 -0.35 0.03 0.00 0.00 0.00 0.00 60.65 60.27 1s20 s ILE 264 Cb -0.15 -0.70 -0.01 0.00 0.01 0.00 0.00 42.46 41.62 1s20 s ILE 264 CO -0.03 0.25 -0.11 0.00 0.00 0.00 0.00 174.94 175.05 1s20 s ALA 265 N 0.23 0.91 -0.05 9.38 0.00 -0.52 -1.30 121.76 130.42 1s20 s ALA 265 Ca -0.04 -0.45 -0.00 0.00 0.00 0.00 0.00 51.96 51.47 1s20 s ALA 265 Cb -0.09 -0.25 0.03 0.00 0.00 0.00 0.00 23.12 22.81 1s20 s ALA 265 CO 0.01 0.21 -0.01 0.42 0.00 0.00 0.00 175.76 176.38 1s20 s ILE 266 N -0.17 0.38 0.36 0.00 1.01 -0.83 -0.72 121.20 121.23 1s20 s ILE 266 Ca 0.03 0.03 -0.26 0.00 0.00 0.00 0.00 60.65 60.45 1s20 s ILE 266 Cb -0.05 -0.48 -0.09 0.00 0.01 0.00 0.00 42.46 41.85 1s20 s ILE 266 CO -0.00 0.22 1.06 -0.70 0.00 0.00 0.00 174.94 175.52 1s20 s GLU 267 N 1.36 4.32 -0.10 2.79 2.12 -0.69 -0.68 118.70 127.81 1s20 s GLU 267 Ca -0.05 1.60 -0.05 0.00 0.36 0.00 0.00 54.97 56.83 1s20 s GLU 267 Cb -0.13 -2.75 -0.04 0.00 0.26 0.00 0.00 34.13 31.46 1s20 s GLU 267 CO -0.02 -0.02 -0.13 0.28 -0.54 0.00 0.00 175.26 174.82 1s20 n VAL 268 N 0.34 0.59 0.04 3.70 0.31 -1.26 -4.76 118.33 117.29 1s20 n VAL 268 Ca 0.03 -0.14 0.22 0.00 -0.01 0.00 0.00 64.34 64.44 1s20 n VAL 268 Cb 0.48 -1.65 0.71 0.00 -0.91 0.00 0.00 33.84 32.47 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 -0.37 0.00 -0.05 4.52 3.32 -1.83 0.17 116.42 122.18 1s20 h ASP 269 Ca -0.26 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.79 1s20 h ASP 269 Cb 1.21 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.76 1s20 h ASP 269 CO -0.16 0.00 0.00 0.29 -1.72 0.00 0.00 179.24 177.65 1s20 n LYS 270 N -3.66 1.39 0.00 3.56 5.02 -1.26 -3.71 118.16 119.50 1s20 n LYS 270 Ca 0.10 -0.58 0.00 0.00 -2.02 0.00 0.00 58.31 55.81 1s20 n LYS 270 Cb 0.75 -1.42 0.00 0.00 -0.02 0.00 0.00 35.03 34.34 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 -0.26 0.00 -3.69 -0.35 4.77 0.57 -5.05 117.00 112.98 1s20 n LEU 271 Ca 0.18 -0.41 -0.14 0.00 -0.03 0.00 0.00 56.01 55.62 1s20 n LEU 271 Cb 0.23 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.23 1s20 n LEU 271 CO 0.15 0.00 0.18 -0.51 -1.33 0.00 0.00 177.39 175.88 1s20 s ILE 272 N -0.99 0.01 0.63 -0.08 2.07 -1.04 -5.14 121.20 116.66 1s20 s ILE 272 Ca 0.00 -0.08 -0.18 0.00 -1.41 0.00 0.00 60.65 58.99 1s20 s ILE 272 Cb 0.00 -0.71 -0.02 0.00 0.13 0.00 0.00 42.46 41.86 1s20 s ILE 272 CO 0.00 -0.04 1.20 -1.81 -1.91 0.00 0.00 174.94 172.38 1s20 s ASP 273 N -0.16 4.94 0.13 4.50 1.11 -1.26 -4.44 116.67 121.48 1s20 s ASP 273 Ca -0.03 2.36 -0.22 0.00 0.18 0.00 0.00 52.55 54.83 1s20 s ASP 273 Cb -0.03 -2.59 -0.03 0.00 1.07 0.00 0.00 42.92 41.33 1s20 s ASP 273 CO 0.02 -1.76 1.67 1.23 1.18 0.00 0.00 175.17 177.52 1s20 h GLY 274 N 0.54 -0.07 0.98 0.21 0.00 -1.99 0.23 103.07 102.98 1s20 h GLY 274 Ca -0.50 0.16 -0.02 0.00 0.00 0.00 0.00 47.33 46.98 1s20 h GLY 274 CO 0.54 -0.14 0.25 -2.55 0.00 0.00 0.00 176.54 174.64 1s20 h PRO 275 N -0.17 0.75 -0.23 4.80 0.11 -1.99 -0.87 132.00 134.40 1s20 h PRO 275 Ca 0.09 -0.11 -0.05 0.00 0.11 0.00 0.00 66.00 66.04 1s20 h PRO 275 Cb 0.29 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 31.25 1s20 h PRO 275 CO -0.22 0.62 -0.07 1.15 -0.21 0.00 0.00 178.00 179.28 1s20 h THR 276 N 0.69 1.18 -0.36 -1.15 2.02 -1.86 0.21 112.91 113.64 1s20 h THR 276 Ca 0.18 -0.75 -0.12 0.00 0.77 0.00 0.00 66.41 66.49 1s20 h THR 276 Cb 0.12 1.08 -0.01 0.00 -1.74 0.00 0.00 68.15 67.60 1s20 h THR 276 CO -0.02 0.24 -0.25 -0.09 0.37 0.00 0.00 175.52 175.77 1s20 h ARG 277 N 0.34 0.80 -0.24 6.66 2.43 -0.05 -0.84 114.38 123.47 1s20 h ARG 277 Ca 0.07 -0.38 -0.18 0.00 -0.81 0.00 0.00 59.98 58.68 1s20 h ARG 277 Cb 0.34 -0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.88 1s20 h ARG 277 CO 0.02 1.01 -0.56 -0.44 -1.51 0.00 0.00 179.97 178.49 1s20 h ASP 278 N 0.58 0.82 0.28 -3.80 3.32 -0.67 -2.34 116.42 114.62 1s20 h ASP 278 Ca 0.07 -0.44 -0.01 0.00 0.02 0.00 0.00 57.03 56.66 1s20 h ASP 278 Cb 0.82 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 40.13 1s20 h ASP 278 CO 0.07 1.21 -0.14 0.00 -1.72 0.00 0.00 179.24 178.66 1s20 h ALA 279 N 0.81 -0.38 -0.53 3.45 0.00 -0.94 -1.00 119.26 120.66 1s20 h ALA 279 Ca 0.01 -0.19 0.03 0.00 0.00 0.00 0.00 54.91 54.75 1s20 h ALA 279 Cb 1.14 0.15 -0.04 0.00 0.00 0.00 0.00 17.79 19.04 1s20 h ALA 279 CO 0.12 -0.49 0.31 0.87 0.00 0.00 0.00 179.25 180.05 1s20 h LYS 280 N -0.82 0.60 -0.40 0.00 1.57 -1.24 0.55 116.57 116.82 1s20 h LYS 280 Ca -0.04 -0.04 -0.05 0.00 -1.87 0.00 0.00 60.65 58.65 1s20 h LYS 280 Cb 0.51 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.67 1s20 h LYS 280 CO 0.06 0.40 0.03 -0.07 -0.57 0.00 0.00 179.45 179.31 1s20 h LEU 281 N 0.62 0.59 -0.44 2.94 4.07 -1.48 -2.28 115.31 119.32 1s20 h LEU 281 Ca 0.22 -0.11 -0.18 0.00 0.08 0.00 0.00 57.88 57.89 1s20 h LEU 281 Cb 0.04 -0.15 -0.01 0.00 1.08 0.00 0.00 40.66 41.62 1s20 h LEU 281 CO -0.10 0.63 -0.70 -0.61 -1.08 0.00 0.00 178.44 176.58 1s20 h GLN 282 N 0.60 0.40 0.00 1.13 5.75 -0.45 -2.91 115.11 119.62 1s20 h GLN 282 Ca 0.13 -0.31 -0.05 0.00 -0.15 0.00 0.00 58.65 58.26 1s20 h GLN 282 Cb 0.33 0.06 -0.01 0.00 1.07 0.00 0.00 27.48 28.93 1s20 h GLN 282 CO 0.01 0.95 -0.25 -0.09 -2.65 0.00 0.00 178.83 176.80 1s20 h ARG 283 N 0.28 0.00 -0.80 1.69 2.43 -0.54 0.10 114.38 117.54 1s20 h ARG 283 Ca -0.02 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 1s20 h ARG 283 Cb 1.26 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.81 1s20 h ARG 283 CO 0.12 0.25 0.00 -0.89 -1.51 0.00 0.00 179.97 177.94 1s20 n ILE 284 N -3.78 0.00 0.00 1.20 5.41 -0.89 -2.07 119.36 119.23 1s20 n ILE 284 Ca -0.01 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.74 1s20 n ILE 284 Cb 0.35 -0.41 0.00 0.00 -0.71 0.00 0.00 39.64 38.87 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 0.00 0.00 0.15 4.38 10.43 0.36 -1.80 116.55 130.08 1s20 n ASP 286 Ca 0.00 0.00 0.06 0.00 2.57 0.00 0.00 54.79 57.42 1s20 n ASP 286 Cb 0.20 0.00 0.53 0.00 1.84 0.00 0.00 41.12 43.69 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 0.21 0.12 1.24 -0.00 -1.63 0.91 116.97 117.81 1s20 h TYR 287 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 58.73 58.73 1s20 h TYR 287 Cb 0.00 -0.07 0.00 0.00 -0.00 0.00 0.00 36.73 36.66 1s20 h TYR 287 CO 0.00 0.16 -0.06 0.28 -0.00 0.00 0.00 178.16 178.54 1s20 h VAL 288 N 0.22 0.22 0.00 1.81 2.07 -1.63 -3.34 116.25 115.60 1s20 h VAL 288 Ca 0.06 -1.02 -0.00 0.00 0.82 0.00 0.00 66.70 66.56 1s20 h VAL 288 Cb 0.03 0.41 -0.00 0.00 -1.52 0.00 0.00 31.29 30.20 1s20 h VAL 288 CO -0.01 0.07 -0.01 0.71 0.02 0.00 0.00 177.57 178.35 1s20 h THR 289 N -1.03 0.09 -0.34 2.57 1.35 -1.80 -2.03 112.91 111.73 1s20 h THR 289 Ca -0.02 -0.14 0.00 0.00 -0.55 0.00 0.00 66.41 65.70 1s20 h THR 289 Cb 0.24 1.13 0.00 0.00 -1.73 0.00 0.00 68.15 67.78 1s20 h THR 289 CO 0.03 0.01 0.00 -1.54 -0.25 0.00 0.00 175.52 173.77 1s20 n SER 290 N -3.19 2.34 -4.77 5.36 3.41 0.30 -4.70 113.62 112.39 1s20 n SER 290 Ca -0.02 -1.89 -0.39 0.00 -0.26 0.00 0.00 58.87 56.30 1s20 n SER 290 Cb 0.13 -0.22 -0.00 0.00 -0.26 0.00 0.00 64.21 63.85 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 -1.55 3.20 0.19 7.33 0.00 -0.76 -4.92 121.76 125.24 1s20 s ALA 291 Ca 0.33 1.19 -0.32 0.00 0.00 0.00 0.00 51.96 53.16 1s20 s ALA 291 Cb 0.18 -3.47 -0.12 0.00 0.00 0.00 0.00 23.12 19.71 1s20 s ALA 291 CO 0.25 -0.82 1.76 -2.00 0.00 0.00 0.00 175.76 174.95 1s20 s GLU 292 N -2.32 4.12 0.46 0.00 2.12 -1.26 -4.94 118.70 116.88 1s20 s GLU 292 Ca 0.58 2.62 -0.11 0.00 0.36 0.00 0.00 54.97 58.42 1s20 s GLU 292 Cb -0.37 -3.21 -0.06 0.00 0.26 0.00 0.00 34.13 30.75 1s20 s GLU 292 CO 0.47 -0.78 0.84 1.03 -0.54 0.00 0.00 175.26 176.28 1s20 s ARG 293 N 1.58 3.78 0.32 4.30 0.52 -1.26 -4.97 118.95 123.23 1s20 s ARG 293 Ca 0.77 0.58 0.20 0.00 -0.52 0.00 0.00 55.73 56.76 1s20 s ARG 293 Cb -0.49 -2.30 0.16 0.00 0.52 0.00 0.00 34.95 32.84 1s20 s ARG 293 CO 0.33 -0.15 1.41 0.00 0.02 0.00 0.00 175.30 176.91 1s20 h ALA 294 N 0.95 0.79 -2.97 2.13 0.00 -1.92 -3.40 119.26 114.84 1s20 h ALA 294 Ca -0.47 -0.23 -0.50 0.00 0.00 0.00 0.00 54.91 53.71 1s20 h ALA 294 Cb 1.19 -0.00 -0.40 0.00 0.00 0.00 0.00 17.79 18.57 1s20 h ALA 294 CO 0.63 0.29 -0.76 0.34 0.00 0.00 0.00 179.25 179.75 1s20 s ASP 295 N -6.15 2.95 0.60 0.00 3.68 -1.26 -5.03 116.67 111.46 1s20 s ASP 295 Ca 0.04 -0.95 0.29 0.00 2.13 0.00 0.00 52.55 54.06 1s20 s ASP 295 Cb 0.07 -0.35 1.17 0.00 -1.45 0.00 0.00 42.92 42.37 1s20 s ASP 295 CO 0.72 -0.38 1.54 -0.08 0.13 0.00 0.00 175.17 177.10 1s20 h GLU 296 N 8.38 0.00 -0.45 4.34 4.81 -2.00 0.31 114.58 129.96 1s20 h GLU 296 Ca -0.17 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.06 1s20 h GLU 296 Cb 1.09 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.47 1s20 h GLU 296 CO 0.36 0.00 0.00 0.09 -0.73 0.00 0.00 179.01 178.73 1s20 n ASN 297 N -3.45 4.05 -4.03 1.04 3.02 -1.26 -4.85 115.26 109.79 1s20 n ASN 297 Ca 0.19 -2.51 -0.31 0.00 -0.03 0.00 0.00 54.58 51.91 1s20 n ASN 297 Cb 1.24 -0.48 -0.15 0.00 -0.61 0.00 0.00 39.78 39.78 1s20 n ASN 297 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 1s20 s GLN 298 N -1.94 1.82 0.71 3.52 -1.52 0.11 -5.11 119.66 117.25 1s20 s GLN 298 Ca 0.41 -1.54 -0.16 0.00 -1.95 0.00 0.00 55.36 52.12 1s20 s GLN 298 Cb 0.28 -2.98 0.02 0.00 -0.22 0.00 0.00 33.01 30.11 1s20 s GLN 298 CO 0.17 -0.74 1.19 0.00 -0.25 0.00 0.00 175.29 175.66 1s20 n ALA 299 N 4.38 0.49 -2.60 6.09 0.00 -1.26 -4.72 120.51 122.90 1s20 n ALA 299 Ca -0.06 -0.14 -0.42 0.00 0.00 0.00 0.00 53.44 52.83 1s20 n ALA 299 Cb 0.42 -2.25 -0.05 0.00 0.00 0.00 0.00 19.45 17.57 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 -1.69 4.74 0.07 0.00 -1.09 -1.26 -5.03 121.20 116.93 1s20 s ILE 300 Ca 0.78 1.04 -0.23 0.00 -2.23 0.00 0.00 60.65 60.00 1s20 s ILE 300 Cb -0.35 -4.20 -0.06 0.00 -1.58 0.00 0.00 42.46 36.27 1s20 s ILE 300 CO 0.45 -0.38 0.71 -0.13 -1.23 0.00 0.00 174.94 174.37 1s20 s ARG 301 N 3.09 4.44 0.07 2.79 0.52 -1.26 -4.67 118.95 123.93 1s20 s ARG 301 Ca 0.33 0.99 -0.11 0.00 -0.52 0.00 0.00 55.73 56.41 1s20 s ARG 301 Cb -0.13 -3.31 -0.06 0.00 0.52 0.00 0.00 34.95 31.96 1s20 s ARG 301 CO 0.15 0.43 0.42 -0.51 0.02 0.00 0.00 175.30 175.81 1s20 s LEU 302 N -0.53 4.37 0.04 2.53 1.43 -1.26 -5.02 118.68 120.25 1s20 s LEU 302 Ca 0.35 0.86 -0.33 0.00 -1.03 0.00 0.00 54.13 53.98 1s20 s LEU 302 Cb -0.21 -2.93 -0.11 0.00 0.03 0.00 0.00 46.19 42.97 1s20 s LEU 302 CO 0.22 0.20 1.83 -0.81 0.23 0.00 0.00 176.35 178.02 1s20 n PRO 303 N 1.08 2.46 -0.24 1.29 -0.04 -1.26 -2.64 135.00 135.64 1s20 n PRO 303 Ca -0.09 0.90 0.00 0.00 -0.04 0.00 0.00 63.50 64.27 1s20 n PRO 303 Cb 0.52 -2.76 0.00 0.00 -0.04 0.00 0.00 33.50 31.22 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 4.19 1.57 0.00 0.55 0.00 -1.26 -4.48 105.19 105.76 1s20 n GLY 304 Ca 0.20 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.34 1s20 n GLY 304 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1s20 n HIS 305 N -2.00 0.00 0.51 1.61 8.25 -1.08 -2.79 115.22 119.72 1s20 n HIS 305 Ca 0.00 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.58 1s20 n HIS 305 Cb 0.00 0.00 0.19 0.00 1.12 0.00 0.00 29.99 31.30 1s20 n HIS 305 CO 0.00 0.00 0.00 1.05 0.64 0.00 0.00 176.34 178.03 1s20 h GLU 306 N 0.00 0.00 0.00 -0.41 9.09 -1.91 -3.32 114.58 118.03 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 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.10 1s20 h GLU 306 CO 0.00 0.00 0.00 1.19 0.05 0.00 0.00 179.01 180.25 1s20 n PHE 307 N -2.25 0.00 0.06 2.06 3.72 -1.12 -2.13 117.46 117.81 1s20 n PHE 307 Ca 0.03 0.00 -0.18 0.00 -0.05 0.00 0.00 57.45 57.26 1s20 n PHE 307 Cb 0.45 -0.46 -0.14 0.00 -0.94 0.00 0.00 39.48 38.39 1s20 n PHE 307 CO 0.00 0.00 0.00 1.79 -0.05 0.00 0.00 176.76 178.50 1s20 h THR 308 N 0.00 1.08 0.18 4.37 1.35 -1.80 -3.17 112.91 114.93 1s20 h THR 308 Ca 0.00 -2.73 -0.31 0.00 -0.55 0.00 0.00 66.41 62.82 1s20 h THR 308 Cb 0.36 2.74 0.02 0.00 -1.73 0.00 0.00 68.15 69.53 1s20 h THR 308 CO 0.00 0.81 -1.46 0.00 -0.25 0.00 0.00 175.52 174.63 1s20 h THR 309 N 0.07 1.28 -0.58 6.82 1.03 -1.76 -2.56 112.91 117.21 1s20 h THR 309 Ca -0.27 -2.81 0.04 0.00 -0.01 0.00 0.00 66.41 63.37 1s20 h THR 309 Cb 2.03 2.93 -0.04 0.00 -1.07 0.00 0.00 68.15 71.99 1s20 h THR 309 CO 0.16 0.84 0.32 -0.07 -0.01 0.00 0.00 175.52 176.77 1s20 h LEU 310 N 0.11 0.50 -0.13 0.00 3.38 -1.58 0.19 115.31 117.77 1s20 h LEU 310 Ca -0.23 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.74 1s20 h LEU 310 Cb 2.07 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 42.74 1s20 h LEU 310 CO 0.22 0.34 0.02 0.25 0.09 0.00 0.00 178.44 179.36 1s20 h LEU 311 N 0.63 0.22 -0.33 1.67 5.85 -1.62 -1.85 115.31 119.87 1s20 h LEU 311 Ca 0.25 -0.27 0.01 0.00 0.84 0.00 0.00 57.88 58.71 1s20 h LEU 311 Cb 0.11 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.06 1s20 h LEU 311 CO -0.14 0.43 0.20 0.00 -0.34 0.00 0.00 178.44 178.59 1s20 h ALA 312 N 0.80 0.42 -0.59 1.25 0.00 -1.10 -0.02 119.26 120.01 1s20 h ALA 312 Ca 0.04 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 1s20 h ALA 312 Cb 0.31 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 1s20 h ALA 312 CO 0.00 -0.15 0.22 0.93 0.00 0.00 0.00 179.25 180.25 1s20 h GLU 313 N 0.41 0.87 0.00 0.00 4.39 -0.57 -2.48 114.58 117.19 1s20 h GLU 313 Ca 0.13 -0.14 -0.15 0.00 0.34 0.00 0.00 59.36 59.53 1s20 h GLU 313 Cb -0.01 -0.15 -0.02 0.00 -0.10 0.00 0.00 28.75 28.47 1s20 h GLU 313 CO -0.05 0.72 -0.73 -0.91 -1.16 0.00 0.00 179.01 176.88 1s20 h ASN 314 N 0.85 0.00 -0.38 1.42 -0.26 -1.01 -2.42 115.58 113.78 1s20 h ASN 314 Ca 0.20 0.00 -0.18 0.00 -0.56 0.00 0.00 56.30 55.76 1s20 h ASN 314 Cb 0.19 0.00 -0.11 0.00 -1.06 0.00 0.00 38.32 37.35 1s20 h ASN 314 CO -0.02 0.73 0.23 0.54 -1.06 0.00 0.00 177.43 177.85 1s20 n ARG 315 N -3.67 1.60 0.00 0.81 1.74 -0.05 -2.60 116.66 114.50 1s20 n ARG 315 Ca -0.01 -1.19 0.00 0.00 -0.77 0.00 0.00 57.85 55.88 1s20 n ARG 315 Cb 0.71 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.65 1s20 n ARG 315 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 1s20 n ARG 316 N -0.11 0.00 -0.16 5.56 0.63 -1.17 -4.88 116.66 116.53 1s20 n ARG 316 Ca 0.22 0.00 0.05 0.00 -0.92 0.00 0.00 57.85 57.20 1s20 n ARG 316 Cb 0.93 -0.29 0.13 0.00 0.45 0.00 0.00 32.46 33.68 1s20 n ARG 316 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 1s20 n ASN 317 N -0.78 2.78 -0.21 6.15 3.02 -0.92 -5.10 115.26 120.21 1s20 n ASN 317 Ca 0.00 -2.15 0.03 0.00 -0.03 0.00 0.00 54.58 52.42 1s20 n ASN 317 Cb 0.00 -0.22 -0.01 0.00 -0.61 0.00 0.00 39.78 38.94 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 0.08 -2.25 3.77 7.41 0.00 -1.07 -4.90 105.19 108.22 1s20 n GLY 318 Ca 0.10 -1.43 -0.38 0.00 0.00 0.00 0.00 46.02 44.31 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 -2.48 5.02 -0.41 -0.61 1.01 -0.95 -4.65 121.20 118.13 1s20 s ILE 319 Ca 0.00 1.06 -0.13 0.00 0.00 0.00 0.00 60.65 61.57 1s20 s ILE 319 Cb 0.00 -3.84 0.03 0.00 0.01 0.00 0.00 42.46 38.66 1s20 s ILE 319 CO 0.00 0.43 0.28 -0.89 0.00 0.00 0.00 174.94 174.76 1s20 s THR 320 N -0.16 4.96 0.04 2.92 2.01 -1.26 -0.88 115.64 123.27 1s20 s THR 320 Ca 0.28 -0.82 0.04 0.00 0.31 0.00 0.00 61.69 61.50 1s20 s THR 320 Cb -0.17 -3.81 -0.04 0.00 0.01 0.00 0.00 72.50 68.50 1s20 s THR 320 CO 0.14 -0.33 -0.07 -0.69 -0.69 0.00 0.00 174.62 172.98 1s20 s VAL 321 N 1.62 3.58 0.25 3.82 1.01 -1.26 -5.03 120.40 124.39 1s20 s VAL 321 Ca 0.04 -0.92 -0.30 0.00 0.00 0.00 0.00 61.98 60.79 1s20 s VAL 321 Cb -0.20 -2.59 -0.11 0.00 0.00 0.00 0.00 36.38 33.48 1s20 s VAL 321 CO 0.08 0.30 1.56 -0.62 0.00 0.00 0.00 175.10 176.42 1s20 s ASP 322 N -1.68 6.49 0.11 3.32 -1.08 -1.26 -4.75 116.67 117.83 1s20 s ASP 322 Ca 0.19 2.81 -0.17 0.00 -0.52 0.00 0.00 52.55 54.85 1s20 s ASP 322 Cb -0.11 -2.62 -0.04 0.00 -1.46 0.00 0.00 42.92 38.69 1s20 s ASP 322 CO 0.10 -0.85 1.64 0.44 0.52 0.00 0.00 175.17 177.02 1s20 h ASP 323 N 5.41 0.46 -0.11 -0.34 3.32 -1.99 -1.25 116.42 121.92 1s20 h ASP 323 Ca -0.46 -0.20 -0.04 0.00 0.02 0.00 0.00 57.03 56.36 1s20 h ASP 323 Cb 1.21 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 40.63 1s20 h ASP 323 CO 0.83 0.53 -0.03 0.77 -1.72 0.00 0.00 179.24 179.61 1s20 h SER 324 N 0.36 0.32 -0.34 6.45 4.64 -1.99 -0.59 113.55 122.39 1s20 h SER 324 Ca 0.10 -0.05 -0.16 0.00 -0.47 0.00 0.00 61.79 61.21 1s20 h SER 324 Cb 0.23 -0.08 -0.00 0.00 -0.31 0.00 0.00 62.40 62.24 1s20 h SER 324 CO -0.00 0.40 -0.42 0.58 -0.87 0.00 0.00 176.83 176.52 1s20 h VAL 325 N 0.33 1.28 -0.68 0.95 2.07 -1.89 -1.61 116.25 116.70 1s20 h VAL 325 Ca 0.07 -1.60 -0.04 0.00 0.82 0.00 0.00 66.70 65.95 1s20 h VAL 325 Cb 0.28 1.49 -0.03 0.00 -1.52 0.00 0.00 31.29 31.51 1s20 h VAL 325 CO 0.01 0.53 0.25 -0.25 0.02 0.00 0.00 177.57 178.13 1s20 h TRP 326 N 0.69 1.05 -0.13 1.57 2.91 -0.51 -1.75 115.95 119.79 1s20 h TRP 326 Ca 0.04 -0.09 -0.10 0.00 1.13 0.00 0.00 58.89 59.87 1s20 h TRP 326 Cb 1.02 -0.31 -0.01 0.00 -0.51 0.00 0.00 29.16 29.35 1s20 h TRP 326 CO 0.07 0.83 -0.39 0.00 -1.03 0.00 0.00 178.44 177.92 1s20 h ALA 327 N 1.11 1.11 -0.17 2.65 0.00 -1.04 -1.63 119.26 121.29 1s20 h ALA 327 Ca 0.22 -0.40 -0.12 0.00 0.00 0.00 0.00 54.91 54.61 1s20 h ALA 327 Cb 0.24 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1s20 h ALA 327 CO -0.01 0.58 -0.43 -0.22 0.00 0.00 0.00 179.25 179.17 1s20 h LYS 328 N 0.23 0.41 -0.15 0.00 3.64 -0.93 0.70 116.57 120.48 1s20 h LYS 328 Ca 0.02 -0.21 -0.09 0.00 -1.27 0.00 0.00 60.65 59.10 1s20 h LYS 328 Cb 0.79 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.61 1s20 h LYS 328 CO 0.06 0.77 -0.27 0.82 -2.27 0.00 0.00 179.45 178.56 1s20 h ILE 329 N 0.34 1.36 -0.62 2.00 2.04 -1.00 -3.15 117.51 118.47 1s20 h ILE 329 Ca 0.03 -1.52 -0.04 0.00 1.00 0.00 0.00 64.86 64.33 1s20 h ILE 329 Cb 0.89 1.98 -0.03 0.00 -0.74 0.00 0.00 36.82 38.92 1s20 h ILE 329 CO 0.07 0.45 0.23 1.56 0.00 0.00 0.00 178.15 180.47 1s20 h GLN 330 N 0.06 0.91 0.00 2.37 1.08 -1.16 -2.34 115.11 116.03 1s20 h GLN 330 Ca 0.01 -0.15 -0.00 0.00 -1.45 0.00 0.00 58.65 57.05 1s20 h GLN 330 Cb 0.86 -0.15 -0.00 0.00 -0.05 0.00 0.00 27.48 28.14 1s20 h GLN 330 CO 0.06 0.76 -0.02 0.00 -0.95 0.00 0.00 178.83 178.69 1s20 h ALA 331 N 1.36 1.28 0.00 3.87 0.00 -0.82 -1.85 119.26 123.09 1s20 h ALA 331 Ca 0.21 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.05 1s20 h ALA 331 Cb 0.20 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1s20 h ALA 331 CO -0.02 0.02 -0.24 -0.07 0.00 0.00 0.00 179.25 178.94 1s20 h LEU 332 N 0.00 0.00 0.00 0.00 3.38 -1.38 -2.19 115.31 115.11 1s20 h LEU 332 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1s20 h LEU 332 Cb 0.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.81 1s20 h LEU 332 CO 0.00 0.24 -0.04 0.18 0.09 0.00 0.00 178.44 178.91 1s20 n LEU 333 N -3.86 0.77 0.00 1.67 4.77 -0.70 -5.09 117.00 114.56 1s20 n LEU 333 Ca -0.02 0.55 0.01 0.00 -0.03 0.00 0.00 56.01 56.52 1s20 n LEU 333 Cb 0.33 -0.32 0.05 0.00 -2.33 0.00 0.00 43.42 41.15 1s20 n LEU 333 CO 0.35 -0.16 0.30 -0.62 -1.33 0.00 0.00 177.39 175.92