#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 0.42 0.51 3.15 -7.23 0.10 -4.99 120.40 112.37 1s20 s VAL 3 Ca 0.00 -1.75 -0.01 0.00 -1.81 0.00 0.00 61.98 58.41 1s20 s VAL 3 Cb 0.00 -1.44 0.01 0.00 0.56 0.00 0.00 36.38 35.51 1s20 s VAL 3 CO 0.00 -0.87 0.75 0.42 -0.31 0.00 0.00 175.10 175.09 1s20 s THR 4 N -3.46 3.53 0.22 5.32 -4.23 -1.26 -0.91 115.64 114.85 1s20 s THR 4 Ca 0.06 -0.44 -0.07 0.00 -1.18 0.00 0.00 61.69 60.06 1s20 s THR 4 Cb 0.04 -3.33 0.17 0.00 1.34 0.00 0.00 72.50 70.72 1s20 s THR 4 CO -0.07 -0.26 1.79 0.15 -0.54 0.00 0.00 174.62 175.69 1s20 h PHE 5 N 0.17 0.66 0.37 3.99 3.57 -1.96 -1.08 116.94 122.64 1s20 h PHE 5 Ca -0.45 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.06 1s20 h PHE 5 Cb 1.27 -0.19 0.00 0.00 2.79 0.00 0.00 35.95 39.82 1s20 h PHE 5 CO 0.43 0.26 -0.18 0.93 -2.23 0.00 0.00 178.31 177.52 1s20 h GLU 6 N 0.63 -0.47 -0.73 1.11 3.07 -1.99 -0.50 114.58 115.70 1s20 h GLU 6 Ca 0.34 0.03 0.07 0.00 -0.50 0.00 0.00 59.36 59.30 1s20 h GLU 6 Cb 0.32 0.11 -0.05 0.00 -0.84 0.00 0.00 28.75 28.29 1s20 h GLU 6 CO -0.25 -0.30 0.48 1.96 -1.40 0.00 0.00 179.01 179.50 1s20 h GLN 7 N -0.51 0.72 0.36 2.33 4.20 -1.87 0.11 115.11 120.44 1s20 h GLN 7 Ca -0.05 -0.04 -0.02 0.00 0.06 0.00 0.00 58.65 58.60 1s20 h GLN 7 Cb 0.39 -0.16 0.00 0.00 0.30 0.00 0.00 27.48 28.01 1s20 h GLN 7 CO 0.08 0.48 -0.17 1.25 -0.67 0.00 0.00 178.83 179.80 1s20 h LEU 8 N 0.74 -0.41 -1.59 1.46 6.46 -0.79 -2.37 115.31 118.82 1s20 h LEU 8 Ca 0.32 -0.13 -0.00 0.00 -0.12 0.00 0.00 57.88 57.95 1s20 h LEU 8 Cb 0.29 0.11 -0.02 0.00 -0.73 0.00 0.00 40.66 40.31 1s20 h LEU 8 CO -0.11 -0.08 0.22 0.50 -0.62 0.00 0.00 178.44 178.34 1s20 h LYS 9 N -0.76 0.49 -0.14 1.25 3.64 -0.72 -2.25 116.57 118.08 1s20 h LYS 9 Ca -0.05 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.28 1s20 h LYS 9 Cb 0.51 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.22 1s20 h LYS 9 CO 0.08 0.35 0.05 0.00 -2.27 0.00 0.00 179.45 177.66 1s20 h ALA 10 N 1.74 0.18 -0.30 5.00 0.00 -0.71 0.57 119.26 125.73 1s20 h ALA 10 Ca 0.13 -0.12 -0.06 0.00 0.00 0.00 0.00 54.91 54.86 1s20 h ALA 10 Cb -0.01 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 1s20 h ALA 10 CO -0.02 -0.21 -0.09 0.00 0.00 0.00 0.00 179.25 178.93 1s20 h ALA 11 N 0.87 1.29 -0.16 0.00 0.00 -1.12 0.52 119.26 120.67 1s20 h ALA 11 Ca 0.05 -0.25 -0.04 0.00 0.00 0.00 0.00 54.91 54.67 1s20 h ALA 11 Cb 0.21 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 1s20 h ALA 11 CO -0.00 0.47 -0.06 0.74 0.00 0.00 0.00 179.25 180.40 1s20 h PHE 12 N 0.46 0.36 -0.22 0.00 0.05 -1.21 -2.63 116.94 113.75 1s20 h PHE 12 Ca 0.09 -0.08 0.00 0.00 3.82 0.00 0.00 57.97 61.80 1s20 h PHE 12 Cb 0.44 -0.08 -0.01 0.00 2.00 0.00 0.00 35.95 38.29 1s20 h PHE 12 CO 0.01 0.61 0.14 -0.97 -0.18 0.00 0.00 178.31 177.92 1s20 h ASN 13 N 0.00 0.26 -0.17 2.17 -1.24 -0.53 -1.51 115.58 114.55 1s20 h ASN 13 Ca 0.04 -0.03 0.02 0.00 0.71 0.00 0.00 56.30 57.03 1s20 h ASN 13 Cb 0.51 -0.07 -0.02 0.00 0.73 0.00 0.00 38.32 39.47 1s20 h ASN 13 CO 0.02 0.22 0.04 0.03 -1.29 0.00 0.00 177.43 176.44 1s20 h ARG 14 N 0.28 0.11 -0.94 6.67 3.08 -0.93 -1.28 114.38 121.37 1s20 h ARG 14 Ca 0.08 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.13 1s20 h ARG 14 Cb 0.00 -0.02 -0.05 0.00 0.08 0.00 0.00 29.97 29.98 1s20 h ARG 14 CO -0.02 0.07 0.60 0.28 -1.07 0.00 0.00 179.97 179.84 1s20 h VAL 15 N 0.11 1.25 0.20 2.04 2.07 -1.32 -1.79 116.25 118.82 1s20 h VAL 15 Ca 0.08 -0.49 -0.01 0.00 0.82 0.00 0.00 66.70 67.10 1s20 h VAL 15 Cb 0.06 -0.11 0.00 0.00 -1.52 0.00 0.00 31.29 29.72 1s20 h VAL 15 CO -0.10 0.25 -0.10 -0.07 0.02 0.00 0.00 177.57 177.57 1s20 h LEU 16 N 1.28 -0.23 -0.76 2.57 3.38 -0.89 -2.88 115.31 117.78 1s20 h LEU 16 Ca 0.34 -0.08 0.08 0.00 0.09 0.00 0.00 57.88 58.31 1s20 h LEU 16 Cb -0.11 0.06 -0.06 0.00 0.09 0.00 0.00 40.66 40.63 1s20 h LEU 16 CO -0.07 -0.07 0.43 0.40 0.09 0.00 0.00 178.44 179.23 1s20 h ILE 17 N -0.38 0.94 0.00 1.22 2.04 -1.04 0.22 117.51 120.52 1s20 h ILE 17 Ca -0.03 -0.26 0.00 0.00 1.00 0.00 0.00 64.86 65.57 1s20 h ILE 17 Cb 0.29 0.11 0.00 0.00 -0.74 0.00 0.00 36.82 36.48 1s20 h ILE 17 CO 0.05 0.14 0.00 -1.54 0.00 0.00 0.00 178.15 176.79 1s20 n SER 18 N -4.75 0.00 -0.75 1.72 3.41 -0.69 -1.66 113.62 110.89 1s20 n SER 18 Ca 0.11 -0.02 0.07 0.00 -0.26 0.00 0.00 58.87 58.77 1s20 n SER 18 Cb 0.23 -0.20 0.18 0.00 -0.26 0.00 0.00 64.21 64.15 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 -1.20 2.77 0.00 4.33 5.12 0.77 -4.97 116.66 123.49 1s20 n ARG 19 Ca 0.06 -2.12 0.00 0.00 -1.93 0.00 0.00 57.85 53.86 1s20 n ARG 19 Cb 0.07 -1.32 0.00 0.00 -1.16 0.00 0.00 32.46 30.06 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 0.71 2.78 3.72 -0.13 0.00 -0.67 -4.97 105.19 106.63 1s20 n GLY 20 Ca 0.14 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.73 1s20 n GLY 20 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1s20 n VAL 21 N -0.88 0.50 -1.89 1.61 0.31 -1.13 -4.96 118.33 111.89 1s20 n VAL 21 Ca 0.00 -0.12 -0.33 0.00 -0.01 0.00 0.00 64.34 63.87 1s20 n VAL 21 Cb 0.00 -1.89 0.03 0.00 -0.91 0.00 0.00 33.84 31.07 1s20 n VAL 21 CO 0.00 0.00 0.00 1.51 -1.32 0.00 0.00 176.83 177.02 1s20 s ASP 22 N 0.80 5.34 0.14 4.52 1.47 -1.26 -4.19 116.67 123.49 1s20 s ASP 22 Ca 0.70 1.98 -0.27 0.00 1.18 0.00 0.00 52.55 56.13 1s20 s ASP 22 Cb -0.53 -2.55 -0.07 0.00 -0.34 0.00 0.00 42.92 39.43 1s20 s ASP 22 CO 0.41 -1.47 1.47 -1.28 0.68 0.00 0.00 175.17 174.98 1s20 h SER 23 N 0.27 -1.86 0.21 2.11 0.87 -1.97 0.14 113.55 113.32 1s20 h SER 23 Ca -0.47 0.28 0.01 0.00 -1.23 0.00 0.00 61.79 60.37 1s20 h SER 23 Cb 1.24 0.82 -0.04 0.00 -0.44 0.00 0.00 62.40 63.97 1s20 h SER 23 CO 0.55 -0.22 -0.53 -0.08 -0.53 0.00 0.00 176.83 176.02 1s20 h GLU 24 N -0.05 -0.79 -0.72 2.24 4.81 -2.00 -1.31 114.58 116.76 1s20 h GLU 24 Ca 0.13 0.05 0.03 0.00 -0.13 0.00 0.00 59.36 59.45 1s20 h GLU 24 Cb 0.38 0.18 -0.05 0.00 0.63 0.00 0.00 28.75 29.90 1s20 h GLU 24 CO -0.78 -0.53 0.45 1.15 -0.73 0.00 0.00 179.01 178.57 1s20 h THR 25 N -0.82 1.09 -0.79 0.32 2.02 -1.89 -1.91 112.91 110.92 1s20 h THR 25 Ca -0.02 -0.30 0.06 0.00 0.77 0.00 0.00 66.41 66.92 1s20 h THR 25 Cb 0.79 0.15 -0.06 0.00 -1.74 0.00 0.00 68.15 67.29 1s20 h THR 25 CO -0.24 0.16 0.48 0.00 0.37 0.00 0.00 175.52 176.29 1s20 h ALA 26 N 1.31 1.08 -0.36 6.16 0.00 -0.39 0.81 119.26 127.87 1s20 h ALA 26 Ca 0.29 -0.00 -0.11 0.00 0.00 0.00 0.00 54.91 55.09 1s20 h ALA 26 Cb 0.04 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1s20 h ALA 26 CO -0.12 0.20 -0.20 0.22 0.00 0.00 0.00 179.25 179.36 1s20 h ASP 27 N 0.88 0.80 -0.30 0.00 3.58 -0.84 -1.41 116.42 119.13 1s20 h ASP 27 Ca 0.35 -0.42 -0.03 0.00 0.42 0.00 0.00 57.03 57.36 1s20 h ASP 27 Cb 0.17 -0.22 -0.01 0.00 1.72 0.00 0.00 39.33 40.99 1s20 h ASP 27 CO -0.17 1.04 0.08 0.00 -2.88 0.00 0.00 179.24 177.31 1s20 h ALA 28 N 0.79 0.39 -0.29 -0.78 0.00 -0.77 0.46 119.26 119.07 1s20 h ALA 28 Ca 0.08 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 1s20 h ALA 28 Cb 0.75 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 1s20 h ALA 28 CO 0.06 0.04 0.13 0.00 0.00 0.00 0.00 179.25 179.48 1s20 h ALA 30 N 0.99 1.30 0.00 0.00 0.00 -1.13 -1.98 119.26 118.45 1s20 h ALA 30 Ca 0.10 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1s20 h ALA 30 Cb 0.13 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.58 1s20 h ALA 30 CO -0.01 0.60 0.00 -1.91 0.00 0.00 0.00 179.25 177.93 1s20 n GLU 31 N -4.37 0.00 0.00 0.00 4.07 0.14 -1.38 120.64 119.10 1s20 n GLU 31 Ca 0.09 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.19 1s20 n GLU 31 Cb 0.07 -1.01 0.00 0.00 -0.06 0.00 0.00 31.44 30.43 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 0.52 0.00 -0.12 4.31 3.72 -0.75 -1.25 117.46 123.89 1s20 n PHE 33 Ca 0.00 0.00 -0.12 0.00 -0.05 0.00 0.00 57.45 57.28 1s20 n PHE 33 Cb 0.00 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.51 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 0.51 -0.74 4.37 0.00 -1.51 -2.31 119.26 119.58 1s20 h ALA 34 Ca 0.00 -0.38 -0.00 0.00 0.00 0.00 0.00 54.91 54.52 1s20 h ALA 34 Cb 0.00 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.64 1s20 h ALA 34 CO 0.00 0.49 0.44 0.00 0.00 0.00 0.00 179.25 180.19 1s20 h ARG 35 N 0.58 1.01 -0.41 0.00 2.47 -1.43 0.31 114.38 116.91 1s20 h ARG 35 Ca 0.07 -0.09 0.01 0.00 -1.26 0.00 0.00 59.98 58.71 1s20 h ARG 35 Cb 0.80 -0.21 -0.02 0.00 -1.65 0.00 0.00 29.97 28.88 1s20 h ARG 35 CO 0.06 0.72 0.26 1.15 0.56 0.00 0.00 179.97 182.72 1s20 h THR 36 N 1.01 1.08 -0.06 2.04 2.02 -1.78 -1.33 112.91 115.89 1s20 h THR 36 Ca 0.26 -0.18 -0.02 0.00 0.77 0.00 0.00 66.41 67.25 1s20 h THR 36 Cb -0.03 0.50 -0.00 0.00 -1.74 0.00 0.00 68.15 66.88 1s20 h THR 36 CO -0.05 0.10 -0.03 0.74 0.37 0.00 0.00 175.52 176.65 1s20 h THR 37 N 0.53 1.32 -0.05 3.16 2.02 -0.94 -1.92 112.91 117.04 1s20 h THR 37 Ca 0.16 -1.02 0.01 0.00 0.77 0.00 0.00 66.41 66.32 1s20 h THR 37 Cb -0.04 1.89 -0.00 0.00 -1.74 0.00 0.00 68.15 68.26 1s20 h THR 37 CO -0.05 0.28 0.08 -0.08 0.37 0.00 0.00 175.52 176.13 1s20 h GLU 38 N -0.26 0.00 -0.00 6.66 4.81 -0.27 0.23 114.58 125.75 1s20 h GLU 38 Ca 0.01 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 1s20 h GLU 38 Cb 0.46 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.84 1s20 h GLU 38 CO 0.01 0.00 -0.15 0.43 -0.73 0.00 0.00 179.01 178.57 1s20 n SER 39 N -3.49 0.32 0.00 1.04 7.64 -0.51 -4.20 113.62 114.42 1s20 n SER 39 Ca -0.02 -0.20 0.00 0.00 1.01 0.00 0.00 58.87 59.66 1s20 n SER 39 Cb 0.17 -0.14 0.00 0.00 -1.01 0.00 0.00 64.21 63.23 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 1.38 1.16 3.17 0.23 0.00 0.80 -4.30 105.19 107.63 1s20 n GLY 40 Ca 0.11 0.00 -0.40 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 4.31 -0.11 1.61 1.01 -0.74 -4.88 120.40 119.61 1s20 s VAL 41 Ca 0.00 -2.83 -0.16 0.00 0.00 0.00 0.00 61.98 58.98 1s20 s VAL 41 Cb 0.00 -3.75 -0.26 0.00 0.00 0.00 0.00 36.38 32.36 1s20 s VAL 41 CO 0.00 -0.93 0.53 1.88 0.00 0.00 0.00 175.10 176.58 1s20 h TYR 42 N 7.23 0.40 -0.61 5.22 0.05 -1.84 -2.69 116.97 124.74 1s20 h TYR 42 Ca 0.03 -0.29 0.12 0.00 0.05 0.00 0.00 58.73 58.64 1s20 h TYR 42 Cb 0.98 -0.02 -0.12 0.00 1.01 0.00 0.00 36.73 38.58 1s20 h TYR 42 CO 0.81 1.54 -0.19 0.66 -1.05 0.00 0.00 178.16 179.93 1s20 h SER 43 N -0.37 -0.70 -0.47 3.88 4.64 -1.90 -0.47 113.55 118.17 1s20 h SER 43 Ca -0.30 0.19 0.00 0.00 -0.47 0.00 0.00 61.79 61.21 1s20 h SER 43 Cb 1.71 0.42 0.00 0.00 -0.31 0.00 0.00 62.40 64.22 1s20 h SER 43 CO 0.04 -0.23 0.00 1.41 -0.87 0.00 0.00 176.83 177.18 1s20 n HIS 44 N -5.43 1.71 0.00 4.77 8.25 -1.26 -3.61 115.22 119.64 1s20 n HIS 44 Ca 0.07 -0.78 0.00 0.00 -0.26 0.00 0.00 57.72 56.75 1s20 n HIS 44 Cb 0.33 -0.45 0.00 0.00 1.12 0.00 0.00 29.99 31.00 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 0.26 1.51 0.39 -1.41 0.00 -0.24 -4.23 105.19 101.46 1s20 n GLY 45 Ca 0.26 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.45 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 0.76 0.00 1.61 3.04 -1.76 -0.78 116.25 119.11 1s20 h VAL 46 Ca 0.00 -0.10 -0.05 0.00 -1.01 0.00 0.00 66.70 65.54 1s20 h VAL 46 Cb 0.00 0.44 -0.01 0.00 -2.01 0.00 0.00 31.29 29.71 1s20 h VAL 46 CO 0.00 0.05 -0.22 0.78 -1.01 0.00 0.00 177.57 177.17 1s20 h ASN 47 N 0.29 0.00 -0.02 3.17 -0.26 -1.64 -2.61 115.58 114.52 1s20 h ASN 47 Ca 0.35 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 56.09 1s20 h ASN 47 Cb 0.97 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.23 1s20 h ASN 47 CO -0.09 0.22 -0.01 -1.14 -1.06 0.00 0.00 177.43 175.35 1s20 n ARG 48 N -3.79 1.92 -0.05 0.81 3.00 -0.31 -4.41 116.66 113.84 1s20 n ARG 48 Ca -0.02 -1.36 -0.09 0.00 -0.00 0.00 0.00 57.85 56.38 1s20 n ARG 48 Cb 0.32 -1.47 -0.03 0.00 0.00 0.00 0.00 32.46 31.28 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 3.33 0.20 -0.41 -0.14 3.57 -1.35 -1.43 116.94 120.71 1s20 h PHE 49 Ca 0.00 0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.57 1s20 h PHE 49 Cb 0.72 -0.06 -0.05 0.00 2.79 0.00 0.00 35.95 39.34 1s20 h PHE 49 CO 0.00 0.11 0.10 -1.35 -2.23 0.00 0.00 178.31 174.95 1s20 h PRO 50 N 0.23 0.24 -0.68 6.41 0.11 -1.79 -0.37 132.00 136.15 1s20 h PRO 50 Ca 0.09 -0.01 0.06 0.00 0.11 0.00 0.00 66.00 66.24 1s20 h PRO 50 Cb 0.02 -0.05 -0.06 0.00 0.11 0.00 0.00 31.00 31.02 1s20 h PRO 50 CO -0.06 0.16 0.38 -0.09 -0.21 0.00 0.00 178.00 178.18 1s20 h ARG 51 N 0.24 0.67 0.07 1.05 9.65 -1.79 0.92 114.38 125.19 1s20 h ARG 51 Ca 0.19 -0.04 0.00 0.00 -1.10 0.00 0.00 59.98 59.04 1s20 h ARG 51 Cb 0.22 -0.15 -0.01 0.00 -1.39 0.00 0.00 29.97 28.64 1s20 h ARG 51 CO -0.23 0.44 -0.06 0.35 2.80 0.00 0.00 179.97 183.27 1s20 h PHE 52 N 0.69 -0.15 -0.68 2.20 3.57 -0.21 -1.36 116.94 121.00 1s20 h PHE 52 Ca 0.31 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.81 1s20 h PHE 52 Cb 0.20 0.06 -0.03 0.00 2.79 0.00 0.00 35.95 38.96 1s20 h PHE 52 CO -0.08 -0.09 0.43 0.82 -2.23 0.00 0.00 178.31 177.15 1s20 h ILE 53 N -0.14 1.19 -0.47 1.41 1.08 -0.67 -0.98 117.51 118.93 1s20 h ILE 53 Ca 0.00 -0.39 0.08 0.00 -0.39 0.00 0.00 64.86 64.16 1s20 h ILE 53 Cb 0.13 0.22 -0.06 0.00 -3.07 0.00 0.00 36.82 34.04 1s20 h ILE 53 CO -0.01 0.19 0.11 -0.61 -0.69 0.00 0.00 178.15 177.13 1s20 h GLN 54 N 0.92 0.24 -0.22 2.37 4.15 -0.48 0.06 115.11 122.14 1s20 h GLN 54 Ca 0.25 -0.01 -0.12 0.00 0.77 0.00 0.00 58.65 59.54 1s20 h GLN 54 Cb -0.06 -0.05 -0.01 0.00 0.21 0.00 0.00 27.48 27.56 1s20 h GLN 54 CO -0.05 0.16 -0.35 1.96 -1.93 0.00 0.00 178.83 178.62 1s20 h GLN 55 N 0.25 0.48 -0.23 1.69 4.20 -0.86 -2.57 115.11 118.07 1s20 h GLN 55 Ca 0.23 -0.22 -0.00 0.00 0.06 0.00 0.00 58.65 58.72 1s20 h GLN 55 Cb 0.29 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.05 1s20 h GLN 55 CO -0.29 0.77 0.13 1.25 -0.67 0.00 0.00 178.83 180.02 1s20 h LEU 56 N 0.41 0.29 -1.38 1.46 5.85 -0.22 -2.32 115.31 119.39 1s20 h LEU 56 Ca 0.04 -0.08 -0.02 0.00 0.84 0.00 0.00 57.88 58.67 1s20 h LEU 56 Cb 0.81 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.74 1s20 h LEU 56 CO 0.07 0.28 0.18 -0.33 -0.34 0.00 0.00 178.44 178.30 1s20 h GLU 57 N 0.27 0.60 0.00 1.25 5.08 -0.91 -1.19 114.58 119.70 1s20 h GLU 57 Ca 0.08 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1s20 h GLU 57 Cb 0.05 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.19 1s20 h GLU 57 CO -0.01 0.49 0.00 0.09 -1.00 0.00 0.00 179.01 178.58 1s20 n ASN 58 N -4.38 0.14 0.00 1.42 5.03 -0.97 -4.86 115.26 111.64 1s20 n ASN 58 Ca 0.03 0.53 0.00 0.00 0.87 0.00 0.00 54.58 56.01 1s20 n ASN 58 Cb 0.14 -0.56 0.00 0.00 -1.02 0.00 0.00 39.78 38.34 1s20 n ASN 58 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1s20 n GLY 59 N 0.27 0.67 0.27 7.41 0.00 -0.45 -4.92 105.19 108.44 1s20 n GLY 59 Ca 0.04 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.17 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 0.00 -3.96 1.61 3.45 -1.62 -3.41 116.42 112.49 1s20 h ASP 60 Ca 0.00 0.00 -0.69 0.00 0.43 0.00 0.00 57.03 56.77 1s20 h ASP 60 Cb 0.00 0.00 -0.22 0.00 -0.56 0.00 0.00 39.33 38.55 1s20 h ASP 60 CO 0.00 0.04 -0.77 -0.63 -1.57 0.00 0.00 179.24 176.31 1s20 s ILE 61 N -4.76 3.08 -0.37 0.35 1.01 -1.25 -4.84 121.20 114.42 1s20 s ILE 61 Ca -0.05 -0.83 0.04 0.00 0.00 0.00 0.00 60.65 59.81 1s20 s ILE 61 Cb 0.16 -2.24 0.11 0.00 0.01 0.00 0.00 42.46 40.49 1s20 s ILE 61 CO 0.62 0.51 0.09 -0.63 0.00 0.00 0.00 174.94 175.53 1s20 s ILE 62 N -0.81 2.26 0.15 2.92 1.01 -0.51 -4.86 121.20 121.36 1s20 s ILE 62 Ca 0.13 -2.47 -0.31 0.00 0.00 0.00 0.00 60.65 58.00 1s20 s ILE 62 Cb -0.11 -2.66 -0.07 0.00 0.01 0.00 0.00 42.46 39.64 1s20 s ILE 62 CO 0.02 -0.64 1.55 -0.65 0.00 0.00 0.00 174.94 175.22 1s20 h PRO 63 N 7.44 -0.25 -0.43 2.79 0.11 -1.95 -0.67 132.00 139.03 1s20 h PRO 63 Ca -0.05 0.02 0.12 0.00 0.11 0.00 0.00 66.00 66.20 1s20 h PRO 63 Cb 1.00 0.06 -0.02 0.00 0.11 0.00 0.00 31.00 32.15 1s20 h PRO 63 CO 0.55 -0.17 0.34 -0.44 -0.21 0.00 0.00 178.00 178.07 1s20 h ASP 64 N -0.26 0.00 -3.33 -2.05 5.19 -1.96 -3.44 116.42 110.57 1s20 h ASP 64 Ca 0.12 0.00 -0.57 0.00 -0.62 0.00 0.00 57.03 55.95 1s20 h ASP 64 Cb 0.54 0.00 0.17 0.00 0.18 0.00 0.00 39.33 40.22 1s20 h ASP 64 CO -0.71 0.00 -0.10 0.00 -3.12 0.00 0.00 179.24 175.31 1s20 n ALA 65 N -2.56 -0.41 -3.10 3.45 0.00 -0.26 -5.03 120.51 112.60 1s20 n ALA 65 Ca 0.07 -0.02 -0.12 0.00 0.00 0.00 0.00 53.44 53.38 1s20 n ALA 65 Cb 0.53 -1.99 -0.11 0.00 0.00 0.00 0.00 19.45 17.89 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 -2.51 0.40 0.80 0.00 2.00 -1.26 -4.71 119.66 114.37 1s20 s GLN 66 Ca 0.73 -0.13 -0.15 0.00 -2.00 0.00 0.00 55.36 53.81 1s20 s GLN 66 Cb -0.42 0.17 0.01 0.00 0.80 0.00 0.00 33.01 33.57 1s20 s GLN 66 CO 0.50 -0.09 0.71 -2.30 -0.50 0.00 0.00 175.29 173.62 1s20 n PRO 67 N 2.02 0.16 -3.75 1.67 -0.02 -1.26 -4.71 135.00 129.12 1s20 n PRO 67 Ca -0.19 0.11 -0.12 0.00 -2.02 0.00 0.00 63.50 61.28 1s20 n PRO 67 Cb 0.57 -2.03 -0.12 0.00 -0.02 0.00 0.00 33.50 31.90 1s20 n PRO 67 CO 0.00 0.00 0.00 -1.59 1.98 0.00 0.00 175.50 175.89 1s20 s LYS 68 N -3.35 0.25 0.37 -0.52 -2.85 -0.79 -4.99 119.74 107.85 1s20 s LYS 68 Ca 0.66 0.46 -0.25 0.00 -1.00 0.00 0.00 55.97 55.84 1s20 s LYS 68 Cb -0.30 -0.00 -0.09 0.00 -2.06 0.00 0.00 37.83 35.37 1s20 s LYS 68 CO 0.58 -0.11 1.02 0.50 0.10 0.00 0.00 175.35 177.43 1s20 s ARG 69 N 0.78 4.34 -0.08 1.78 3.52 -1.26 -0.48 118.95 127.54 1s20 s ARG 69 Ca -0.05 1.46 -0.04 0.00 -0.13 0.00 0.00 55.73 56.97 1s20 s ARG 69 Cb -0.07 -2.65 -0.03 0.00 -1.56 0.00 0.00 34.95 30.64 1s20 s ARG 69 CO -0.05 0.02 -0.10 -0.89 -0.81 0.00 0.00 175.30 173.47 1s20 n ILE 70 N 0.20 0.44 -3.84 4.11 2.08 0.25 -4.88 119.36 117.71 1s20 n ILE 70 Ca 0.04 -0.11 -0.12 0.00 0.56 0.00 0.00 62.75 63.12 1s20 n ILE 70 Cb 0.50 -1.61 -0.11 0.00 -0.75 0.00 0.00 39.64 37.66 1s20 n ILE 70 CO 0.00 0.00 0.00 -0.89 0.56 0.00 0.00 176.55 176.22 1s20 s THR 71 N -2.14 0.04 -0.21 1.39 2.01 -1.07 -4.97 115.64 110.68 1s20 s THR 71 Ca -0.11 -0.29 0.01 0.00 0.31 0.00 0.00 61.69 61.60 1s20 s THR 71 Cb 0.04 -0.30 0.05 0.00 0.01 0.00 0.00 72.50 72.30 1s20 s THR 71 CO 0.14 -0.16 -0.07 -0.44 -0.69 0.00 0.00 174.62 173.40 1s20 s SER 72 N -0.53 3.56 -0.01 3.53 0.01 -1.26 -0.82 113.70 118.17 1s20 s SER 72 Ca -0.06 -1.01 0.20 0.00 1.31 0.00 0.00 55.95 56.39 1s20 s SER 72 Cb -0.04 -1.16 0.59 0.00 0.21 0.00 0.00 66.02 65.62 1s20 s SER 72 CO 0.01 -0.20 1.50 0.18 0.41 0.00 0.00 173.24 175.13 1s20 n LEU 73 N 4.70 3.84 0.00 2.44 4.77 -0.52 -5.03 117.00 127.20 1s20 n LEU 73 Ca -0.13 -2.04 0.00 0.00 -0.03 0.00 0.00 56.01 53.81 1s20 n LEU 73 Cb 0.45 -0.45 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1s20 n LEU 73 CO 0.18 0.93 0.00 0.61 -1.33 0.00 0.00 177.39 177.78 1s20 n GLY 74 N 1.39 1.60 0.10 -0.72 0.00 -1.26 -4.64 105.19 101.66 1s20 n GLY 74 Ca 0.22 -0.81 0.13 0.00 0.00 0.00 0.00 46.02 45.56 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 -0.64 2.24 -2.42 4.61 0.00 -1.26 -4.79 120.51 118.24 1s20 n ALA 75 Ca 0.00 -0.02 -0.27 0.00 0.00 0.00 0.00 53.44 53.14 1s20 n ALA 75 Cb 0.00 -1.46 -0.14 0.00 0.00 0.00 0.00 19.45 17.84 1s20 n ALA 75 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 1s20 s ILE 76 N -3.11 1.88 0.00 0.00 -4.36 -1.26 -1.10 121.20 113.25 1s20 s ILE 76 Ca 0.10 -1.30 0.00 0.00 -0.26 0.00 0.00 60.65 59.20 1s20 s ILE 76 Cb 0.12 -1.62 -0.00 0.00 1.25 0.00 0.00 42.46 42.21 1s20 s ILE 76 CO 0.58 0.26 -0.02 -1.61 0.24 0.00 0.00 174.94 174.39 1s20 s GLU 77 N -1.24 0.14 -0.22 0.37 2.02 -0.40 -1.44 118.70 117.93 1s20 s GLU 77 Ca 0.09 -0.11 -0.09 0.00 0.02 0.00 0.00 54.97 54.89 1s20 s GLU 77 Cb -0.09 -0.11 -0.04 0.00 0.10 0.00 0.00 34.13 33.99 1s20 s GLU 77 CO 0.02 0.03 0.10 -1.14 0.02 0.00 0.00 175.26 174.29 1s20 s GLN 78 N -0.16 3.95 0.20 1.61 0.74 -0.00 -0.73 119.66 125.26 1s20 s GLN 78 Ca -0.01 -0.34 0.11 0.00 0.05 0.00 0.00 55.36 55.17 1s20 s GLN 78 Cb -0.01 -3.37 -0.04 0.00 1.10 0.00 0.00 33.01 30.68 1s20 s GLN 78 CO -0.00 0.09 -0.22 -1.58 -0.55 0.00 0.00 175.29 173.03 1s20 s TRP 79 N 0.92 2.15 -0.28 1.67 0.52 0.17 0.84 118.94 124.92 1s20 s TRP 79 Ca 0.05 -0.39 -0.00 0.00 0.02 0.00 0.00 56.10 55.78 1s20 s TRP 79 Cb -0.13 -1.05 0.05 0.00 -1.15 0.00 0.00 33.47 31.19 1s20 s TRP 79 CO 0.03 0.47 -0.04 0.34 0.02 0.00 0.00 176.95 177.77 1s20 s ASP 80 N -2.78 4.71 0.61 2.95 -1.08 0.36 -1.17 116.67 120.27 1s20 s ASP 80 Ca 0.20 -1.29 0.38 0.00 -0.52 0.00 0.00 52.55 51.32 1s20 s ASP 80 Cb -0.07 -1.65 1.96 0.00 -1.46 0.00 0.00 42.92 41.70 1s20 s ASP 80 CO 0.09 -0.23 2.22 0.00 0.52 0.00 0.00 175.17 177.77 1s20 h ALA 81 N 7.92 1.08 -6.20 3.66 0.00 -1.16 -2.11 119.26 122.45 1s20 h ALA 81 Ca -0.21 -0.02 -0.46 0.00 0.00 0.00 0.00 54.91 54.22 1s20 h ALA 81 Cb 1.06 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.85 1s20 h ALA 81 CO 0.51 0.03 -0.74 1.04 0.00 0.00 0.00 179.25 180.08 1s20 n GLN 82 N -3.23 -6.06 -3.42 0.00 6.02 -1.22 -1.83 117.38 107.64 1s20 n GLN 82 Ca -0.02 0.65 -0.25 0.00 -0.01 0.00 0.00 57.00 57.37 1s20 n GLN 82 Cb 0.16 -5.57 0.02 0.00 1.02 0.00 0.00 30.24 25.87 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 -4.75 -4.60 -1.82 -1.09 1.74 0.76 -4.76 116.66 102.15 1s20 n ARG 83 Ca 0.02 0.65 -0.30 0.00 -0.77 0.00 0.00 57.85 57.46 1s20 n ARG 83 Cb 0.54 -5.47 0.21 0.00 -1.02 0.00 0.00 32.46 26.72 1s20 n ARG 83 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 1s20 n SER 84 N -2.53 -0.13 -4.70 0.55 3.41 -0.76 -1.42 113.62 108.04 1s20 n SER 84 Ca -0.03 -1.45 -0.42 0.00 -0.26 0.00 0.00 58.87 56.71 1s20 n SER 84 Cb 0.56 -1.02 -0.03 0.00 -0.26 0.00 0.00 64.21 63.46 1s20 n SER 84 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1s20 s ILE 85 N -3.82 2.42 0.12 -1.33 1.01 -1.26 -4.13 121.20 114.21 1s20 s ILE 85 Ca 0.75 0.04 -0.32 0.00 0.00 0.00 0.00 60.65 61.12 1s20 s ILE 85 Cb -0.02 -3.02 -0.10 0.00 0.01 0.00 0.00 42.46 39.32 1s20 s ILE 85 CO 0.53 0.00 1.57 1.23 0.00 0.00 0.00 174.94 178.27 1s20 h GLY 86 N 8.25 -0.94 0.71 6.18 0.00 -1.75 -1.66 103.07 113.87 1s20 h GLY 86 Ca -0.45 0.59 -0.07 0.00 0.00 0.00 0.00 47.33 47.39 1s20 h GLY 86 CO 0.95 -0.24 -0.21 3.45 0.00 0.00 0.00 176.54 180.49 1s20 h ASN 87 N -0.62 0.39 -0.61 0.19 -0.00 -1.77 -2.03 115.58 111.13 1s20 h ASN 87 Ca 0.03 -0.55 0.07 0.00 -0.00 0.00 0.00 56.30 55.86 1s20 h ASN 87 Cb 0.69 -0.11 -0.06 0.00 -0.00 0.00 0.00 38.32 38.84 1s20 h ASN 87 CO -0.35 0.86 0.29 -0.07 -0.00 0.00 0.00 177.43 178.16 1s20 h LEU 88 N -0.08 0.37 -0.57 6.14 3.38 -1.94 -1.40 115.31 121.21 1s20 h LEU 88 Ca 0.01 0.05 -0.15 0.00 0.09 0.00 0.00 57.88 57.88 1s20 h LEU 88 Cb 0.79 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.53 1s20 h LEU 88 CO 0.05 0.23 -0.48 0.74 0.09 0.00 0.00 178.44 179.08 1s20 h THR 89 N 0.52 1.31 -0.75 0.22 2.02 -1.34 -2.75 112.91 112.14 1s20 h THR 89 Ca 0.29 -1.68 -0.06 0.00 0.77 0.00 0.00 66.41 65.73 1s20 h THR 89 Cb 0.27 1.65 -0.03 0.00 -1.74 0.00 0.00 68.15 68.30 1s20 h THR 89 CO -0.23 0.53 0.25 0.00 0.37 0.00 0.00 175.52 176.44 1s20 h ALA 90 N 1.00 0.98 -0.03 6.16 0.00 -0.82 -2.72 119.26 123.83 1s20 h ALA 90 Ca 0.03 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1s20 h ALA 90 Cb 1.01 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 18.51 1s20 h ALA 90 CO 0.09 0.65 0.02 -0.22 0.00 0.00 0.00 179.25 179.79 1s20 h LYS 91 N 1.11 0.04 -5.01 0.00 3.64 -1.20 -3.41 116.57 111.73 1s20 h LYS 91 Ca 0.24 -0.00 -0.42 0.00 -1.27 0.00 0.00 60.65 59.20 1s20 h LYS 91 Cb 0.29 -0.01 0.11 0.00 -0.41 0.00 0.00 32.23 32.21 1s20 h LYS 91 CO -0.01 0.05 1.05 1.63 -2.27 0.00 0.00 179.45 179.89 1s20 n LYS 92 N -5.06 0.02 0.00 1.90 5.02 -1.03 -4.65 118.16 114.35 1s20 n LYS 92 Ca -0.07 -1.01 0.00 0.00 -2.02 0.00 0.00 58.31 55.22 1s20 n LYS 92 Cb 0.04 -2.58 0.00 0.00 -0.02 0.00 0.00 35.03 32.48 1s20 n LYS 92 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1s20 n ASP 95 N 10.28 0.00 0.07 4.39 10.43 -1.26 -4.74 116.55 135.73 1s20 n ASP 95 Ca 0.41 0.00 -0.08 0.00 2.57 0.00 0.00 54.79 57.69 1s20 n ASP 95 Cb 0.41 0.00 0.05 0.00 1.84 0.00 0.00 41.12 43.42 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 0.09 0.28 -0.33 -1.24 9.65 -1.94 -2.16 114.38 118.73 1s20 h ARG 96 Ca 0.00 -0.24 -0.13 0.00 -1.10 0.00 0.00 59.98 58.51 1s20 h ARG 96 Cb 0.00 0.05 -0.01 0.00 -1.39 0.00 0.00 29.97 28.62 1s20 h ARG 96 CO 0.00 0.90 -0.30 0.00 2.80 0.00 0.00 179.97 183.36 1s20 h ALA 97 N 1.03 0.84 -0.44 2.80 0.00 -1.90 -2.13 119.26 119.47 1s20 h ALA 97 Ca -0.03 -0.40 -0.04 0.00 0.00 0.00 0.00 54.91 54.44 1s20 h ALA 97 Cb 1.30 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.94 1s20 h ALA 97 CO 0.12 0.64 0.14 0.82 0.00 0.00 0.00 179.25 180.96 1s20 h ILE 98 N 0.61 1.22 -0.28 0.00 2.04 -1.87 0.12 117.51 119.35 1s20 h ILE 98 Ca 0.07 -0.74 -0.02 0.00 1.00 0.00 0.00 64.86 65.18 1s20 h ILE 98 Cb 0.82 0.87 -0.01 0.00 -0.74 0.00 0.00 36.82 37.76 1s20 h ILE 98 CO 0.07 0.26 0.09 -0.33 0.00 0.00 0.00 178.15 178.24 1s20 h GLU 99 N 0.57 0.39 0.04 2.37 5.08 -1.18 -0.55 114.58 121.29 1s20 h GLU 99 Ca 0.14 -0.05 -0.24 0.00 -1.00 0.00 0.00 59.36 58.22 1s20 h GLU 99 Cb 0.27 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.44 1s20 h GLU 99 CO -0.00 0.34 -1.02 -0.07 -1.00 0.00 0.00 179.01 177.26 1s20 h LEU 100 N 0.39 0.48 -1.35 1.33 3.38 -0.90 -3.11 115.31 115.53 1s20 h LEU 100 Ca 0.10 -0.42 -0.07 0.00 0.09 0.00 0.00 57.88 57.58 1s20 h LEU 100 Cb 0.12 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 1s20 h LEU 100 CO -0.01 1.24 -0.32 0.00 0.09 0.00 0.00 178.44 179.44 1s20 h ALA 101 N 0.72 1.40 0.00 1.53 0.00 0.07 0.11 119.26 123.09 1s20 h ALA 101 Ca -0.09 -0.30 -0.04 0.00 0.00 0.00 0.00 54.91 54.48 1s20 h ALA 101 Cb 1.68 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.41 1s20 h ALA 101 CO 0.17 0.41 -0.19 0.00 0.00 0.00 0.00 179.25 179.64 1s20 h ALA 102 N 1.68 1.03 0.00 0.00 0.00 -1.06 0.32 119.26 121.23 1s20 h ALA 102 Ca -0.00 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1s20 h ALA 102 Cb 0.60 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1s20 h ALA 102 CO 0.04 0.23 -1.26 -0.25 0.00 0.00 0.00 179.25 178.01 1s20 n ASP 103 N -3.36 1.73 0.00 0.00 10.43 -0.93 -4.64 116.55 119.79 1s20 n ASP 103 Ca 0.00 -0.23 0.00 0.00 2.57 0.00 0.00 54.79 57.13 1s20 n ASP 103 Cb 0.40 1.39 0.00 0.00 1.84 0.00 0.00 41.12 44.75 1s20 n ASP 103 CO 0.00 0.00 0.00 1.41 -1.07 0.00 0.00 177.20 177.54 1s20 n HIS 104 N -1.73 0.00 0.00 1.24 8.25 0.34 -5.00 115.22 118.32 1s20 n HIS 104 Ca -0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.45 1s20 n HIS 104 Cb 0.28 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.39 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 0.95 2.79 3.08 -1.41 0.00 0.11 -4.94 105.19 105.78 1s20 n GLY 105 Ca 0.00 -0.14 -0.13 0.00 0.00 0.00 0.00 46.02 45.76 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 -1.86 -0.01 0.07 -0.61 2.07 -1.24 -1.24 121.20 118.37 1s20 s ILE 106 Ca 0.00 0.04 0.07 0.00 -1.41 0.00 0.00 60.65 59.35 1s20 s ILE 106 Cb 0.00 -0.33 -0.03 0.00 0.13 0.00 0.00 42.46 42.24 1s20 s ILE 106 CO 0.00 0.02 -0.18 -0.83 -1.91 0.00 0.00 174.94 172.04 1s20 s GLY 107 N 0.41 1.03 -0.09 1.50 0.00 0.04 -4.26 107.32 105.95 1s20 s GLY 107 Ca -0.02 -1.07 -0.04 0.00 0.00 0.00 0.00 44.72 43.59 1s20 s GLY 107 CO -0.02 -1.06 0.20 -2.27 0.00 0.00 0.00 173.10 169.95 1s20 s LEU 108 N -1.61 0.24 -0.17 0.66 0.20 -0.26 -1.69 118.68 116.05 1s20 s LEU 108 Ca 0.03 0.43 -0.01 0.00 0.69 0.00 0.00 54.13 55.27 1s20 s LEU 108 Cb -0.09 0.51 -0.01 0.00 -0.43 0.00 0.00 46.19 46.17 1s20 s LEU 108 CO 0.03 -0.19 -0.11 -0.69 -0.29 0.00 0.00 176.35 175.09 1s20 s VAL 109 N 1.72 3.00 -0.29 1.68 1.01 0.42 -1.28 120.40 126.66 1s20 s VAL 109 Ca -0.04 -0.65 -0.08 0.00 0.00 0.00 0.00 61.98 61.21 1s20 s VAL 109 Cb -0.11 -2.30 -0.01 0.00 0.00 0.00 0.00 36.38 33.95 1s20 s VAL 109 CO -0.07 0.49 0.11 0.00 0.00 0.00 0.00 175.10 175.62 1s20 s ALA 110 N 0.97 3.18 -0.12 5.51 0.00 0.10 -1.58 121.76 129.83 1s20 s ALA 110 Ca -0.02 -1.33 0.01 0.00 0.00 0.00 0.00 51.96 50.62 1s20 s ALA 110 Cb -0.15 -2.23 -0.02 0.00 0.00 0.00 0.00 23.12 20.72 1s20 s ALA 110 CO -0.01 -0.79 -0.13 -1.17 0.00 0.00 0.00 175.76 173.65 1s20 s LEU 111 N 1.58 2.72 0.38 0.00 2.96 -0.36 0.44 118.68 126.40 1s20 s LEU 111 Ca 0.05 -0.31 0.08 0.00 -0.22 0.00 0.00 54.13 53.73 1s20 s LEU 111 Cb -0.17 -1.60 -0.06 0.00 0.50 0.00 0.00 46.19 44.86 1s20 s LEU 111 CO 0.04 0.20 0.06 0.00 -1.32 0.00 0.00 176.35 175.33 1s20 s ARG 112 N 0.17 2.08 -1.51 1.98 1.70 -0.32 -1.31 118.95 121.73 1s20 s ARG 112 Ca -0.07 -1.88 -0.13 0.00 -0.47 0.00 0.00 55.73 53.18 1s20 s ARG 112 Cb -0.15 -1.86 0.08 0.00 -0.57 0.00 0.00 34.95 32.45 1s20 s ARG 112 CO 0.05 0.01 0.98 0.09 -1.08 0.00 0.00 175.30 175.35 1s20 n ASN 113 N -1.04 -4.71 -4.98 -2.89 3.02 -0.98 -0.80 115.26 102.89 1s20 n ASN 113 Ca -0.03 -0.77 -0.19 0.00 -0.03 0.00 0.00 54.58 53.55 1s20 n ASN 113 Cb 0.64 -3.95 0.05 0.00 -0.61 0.00 0.00 39.78 35.91 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 -3.32 4.47 0.31 5.41 0.00 0.39 -0.17 121.76 128.84 1s20 s ALA 114 Ca 0.63 -1.91 0.09 0.00 0.00 0.00 0.00 51.96 50.77 1s20 s ALA 114 Cb -0.31 -1.62 -0.05 0.00 0.00 0.00 0.00 23.12 21.14 1s20 s ALA 114 CO 0.82 -0.77 0.03 -0.80 0.00 0.00 0.00 175.76 175.04 1s20 s ASN 115 N -4.57 4.43 0.01 0.00 0.01 -1.26 -0.10 114.94 113.46 1s20 s ASN 115 Ca 0.60 -0.79 -0.38 0.00 -0.71 0.00 0.00 52.86 51.58 1s20 s ASN 115 Cb -0.07 -0.70 -0.17 0.00 0.41 0.00 0.00 41.25 40.72 1s20 s ASN 115 CO 0.38 -0.14 1.36 1.57 -1.51 0.00 0.00 177.10 178.76 1s20 n HIS 116 N -0.96 1.47 0.00 2.20 -0.00 -1.26 -4.31 115.22 112.35 1s20 n HIS 116 Ca -0.05 0.69 0.00 0.00 0.46 0.00 0.00 57.72 58.83 1s20 n HIS 116 Cb 0.61 -2.31 0.00 0.00 -0.12 0.00 0.00 29.99 28.16 1s20 n HIS 116 CO 0.00 0.00 0.00 -2.67 0.46 0.00 0.00 176.34 174.13 1s20 n TRP 117 N 2.78 0.00 -0.09 1.57 2.14 -1.26 -3.71 117.44 118.87 1s20 n TRP 117 Ca 0.20 0.00 -0.04 0.00 2.07 0.00 0.00 57.50 59.73 1s20 n TRP 117 Cb 0.16 0.00 -0.01 0.00 -0.81 0.00 0.00 31.31 30.65 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 0.06 -2.67 0.63 -1.26 -4.40 116.66 109.02 1s20 n ARG 119 Ca 0.00 0.00 0.02 0.00 -0.92 0.00 0.00 57.85 56.95 1s20 n ARG 119 Cb 0.00 -0.11 0.36 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 0.69 0.40 2.00 5.14 0.00 -1.97 -2.64 103.07 106.69 1s20 h GLY 120 Ca -0.01 -0.23 0.00 0.00 0.00 0.00 0.00 47.33 47.09 1s20 h GLY 120 CO 0.08 0.22 0.00 -1.33 0.00 0.00 0.00 176.54 175.51 1s20 h GLY 121 N 0.75 0.00 2.00 4.60 0.00 -1.95 -1.05 103.07 107.42 1s20 h GLY 121 Ca 0.08 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.34 1s20 h GLY 121 CO 0.01 0.00 -0.32 1.48 0.00 0.00 0.00 176.54 177.71 1s20 h SER 122 N 0.00 0.00 0.70 0.19 4.64 -1.86 0.38 113.55 117.60 1s20 h SER 122 Ca 0.00 0.00 -0.26 0.00 -0.47 0.00 0.00 61.79 61.06 1s20 h SER 122 Cb 0.05 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.11 1s20 h SER 122 CO 0.00 0.32 -1.33 1.88 -0.87 0.00 0.00 176.83 176.83 1s20 h TYR 123 N 0.00 0.18 -0.09 4.77 0.05 -1.36 -1.47 116.97 119.04 1s20 h TYR 123 Ca -0.00 -0.13 -0.19 0.00 0.05 0.00 0.00 58.73 58.45 1s20 h TYR 123 Cb 0.66 -0.01 -0.00 0.00 1.01 0.00 0.00 36.73 38.39 1s20 h TYR 123 CO 0.00 1.14 -0.75 0.78 -1.05 0.00 0.00 178.16 178.28 1s20 h GLY 124 N 2.59 0.52 0.72 3.88 0.00 -1.45 -3.06 103.07 106.27 1s20 h GLY 124 Ca -0.15 -0.74 -0.00 0.00 0.00 0.00 0.00 47.33 46.44 1s20 h GLY 124 CO 0.14 0.65 -0.01 -0.25 0.00 0.00 0.00 176.54 177.07 1s20 h TRP 125 N 0.32 -0.03 -0.28 5.60 2.91 -0.94 -2.31 115.95 121.22 1s20 h TRP 125 Ca -0.04 -0.00 0.08 0.00 1.13 0.00 0.00 58.89 60.06 1s20 h TRP 125 Cb 1.33 0.01 -0.01 0.00 -0.51 0.00 0.00 29.16 29.98 1s20 h TRP 125 CO 0.05 0.25 0.20 -0.56 -1.03 0.00 0.00 178.44 177.36 1s20 h GLN 126 N -0.31 0.00 0.00 2.65 3.07 -1.30 0.34 115.11 119.56 1s20 h GLN 126 Ca -0.00 0.00 -0.00 0.00 0.09 0.00 0.00 58.65 58.74 1s20 h GLN 126 Cb 0.29 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.85 1s20 h GLN 126 CO 0.01 0.00 -0.00 0.00 0.09 0.00 0.00 178.83 178.92 1s20 h ALA 127 N 1.86 -0.01 -0.52 0.06 0.00 -1.39 -3.12 119.26 116.14 1s20 h ALA 127 Ca 0.13 -0.28 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 1s20 h ALA 127 Cb 0.54 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.30 1s20 h ALA 127 CO -0.00 -0.23 0.20 0.00 0.00 0.00 0.00 179.25 179.22 1s20 h ALA 128 N 0.43 1.37 -0.04 0.00 0.00 -0.78 -0.70 119.26 119.55 1s20 h ALA 128 Ca -0.00 -0.15 0.01 0.00 0.00 0.00 0.00 54.91 54.77 1s20 h ALA 128 Cb 0.55 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 1s20 h ALA 128 CO 0.00 0.47 0.05 0.93 0.00 0.00 0.00 179.25 180.70 1s20 h GLU 129 N 0.74 0.00 -0.61 0.00 5.08 -0.97 0.39 114.58 119.20 1s20 h GLU 129 Ca 0.18 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.54 1s20 h GLU 129 Cb 0.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.41 1s20 h GLU 129 CO -0.02 0.00 0.00 1.63 -1.00 0.00 0.00 179.01 179.62 1s20 n LYS 130 N -3.72 3.85 -1.00 2.33 5.02 -0.35 -4.94 118.16 119.34 1s20 n LYS 130 Ca -0.02 -2.91 0.00 0.00 -2.02 0.00 0.00 58.31 53.36 1s20 n LYS 130 Cb 0.14 -1.93 0.00 0.00 -0.02 0.00 0.00 35.03 33.22 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 0.97 0.58 3.75 0.72 0.00 0.13 -5.04 105.19 106.29 1s20 n GLY 131 Ca 0.26 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.99 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 -2.31 3.09 0.20 1.61 2.02 -0.69 -4.19 117.35 117.07 1s20 s TYR 132 Ca 0.00 0.00 -0.28 0.00 -0.37 0.00 0.00 57.07 56.42 1s20 s TYR 132 Cb 0.00 -1.54 -0.08 0.00 -0.40 0.00 0.00 41.96 39.94 1s20 s TYR 132 CO 0.00 0.51 0.88 0.42 -1.57 0.00 0.00 175.55 175.79 1s20 s ILE 133 N -1.51 4.23 -0.09 2.71 1.01 -0.15 -2.20 121.20 125.20 1s20 s ILE 133 Ca 0.29 1.94 0.04 0.00 0.00 0.00 0.00 60.65 62.91 1s20 s ILE 133 Cb -0.11 -4.25 0.00 0.00 0.01 0.00 0.00 42.46 38.11 1s20 s ILE 133 CO 0.21 0.49 -0.21 -0.83 0.00 0.00 0.00 174.94 174.60 1s20 s GLY 134 N -1.04 1.19 -0.05 6.18 0.00 0.06 -1.59 107.32 112.07 1s20 s GLY 134 Ca 0.39 -0.83 -0.00 0.00 0.00 0.00 0.00 44.72 44.28 1s20 s GLY 134 CO 0.29 -0.25 -0.00 -0.42 0.00 0.00 0.00 173.10 172.72 1s20 s ILE 135 N 0.37 0.29 0.08 0.90 1.01 -0.47 -0.12 121.20 123.26 1s20 s ILE 135 Ca -0.16 0.08 -0.19 0.00 0.00 0.00 0.00 60.65 60.38 1s20 s ILE 135 Cb -0.17 -0.40 0.04 0.00 0.01 0.00 0.00 42.46 41.94 1s20 s ILE 135 CO 0.07 0.20 0.45 0.00 0.00 0.00 0.00 174.94 175.66 1s20 s TRP 137 N -3.06 -0.42 0.19 0.00 -2.14 -0.42 -1.12 118.94 111.97 1s20 s TRP 137 Ca -0.02 0.14 -0.01 0.00 2.66 0.00 0.00 56.10 58.87 1s20 s TRP 137 Cb 0.00 0.57 -0.04 0.00 -3.10 0.00 0.00 33.47 30.90 1s20 s TRP 137 CO -0.07 -0.94 0.11 -0.08 -2.66 0.00 0.00 176.95 173.31 1s20 s THR 138 N -3.80 0.09 0.06 0.66 -1.32 -1.24 -0.29 115.64 109.79 1s20 s THR 138 Ca 0.04 -1.98 0.01 0.00 -1.21 0.00 0.00 61.69 58.54 1s20 s THR 138 Cb -0.02 -2.42 0.01 0.00 -1.51 0.00 0.00 72.50 68.56 1s20 s THR 138 CO -0.08 -0.10 0.05 -0.46 -2.21 0.00 0.00 174.62 171.82 1s20 n ASN 139 N -0.25 1.06 -2.18 8.08 6.94 -0.51 -3.99 115.26 124.41 1s20 n ASN 139 Ca 0.00 -1.20 -0.02 0.00 -0.02 0.00 0.00 54.58 53.34 1s20 n ASN 139 Cb 0.66 -0.01 0.01 0.00 -2.36 0.00 0.00 39.78 38.08 1s20 n ASN 139 CO 0.00 0.00 0.00 -1.54 -1.03 0.00 0.00 177.26 174.69 1s20 n SER 140 N -2.11 -0.93 -4.80 0.53 3.41 -1.26 -4.73 113.62 103.73 1s20 n SER 140 Ca 0.00 -1.50 -0.32 0.00 -0.26 0.00 0.00 58.87 56.78 1s20 n SER 140 Cb 0.07 1.52 0.02 0.00 -0.26 0.00 0.00 64.21 65.56 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 -2.32 3.73 -0.45 -1.33 2.07 -1.26 -4.38 121.20 117.26 1s20 s ILE 141 Ca 0.12 0.78 -0.27 0.00 -1.41 0.00 0.00 60.65 59.87 1s20 s ILE 141 Cb -0.02 -3.33 -0.06 0.00 0.13 0.00 0.00 42.46 39.19 1s20 s ILE 141 CO 0.03 -0.53 2.26 0.00 -1.91 0.00 0.00 174.94 174.79 1s20 s ALA 142 N -2.52 1.98 -0.32 1.50 0.00 -1.26 -4.52 121.76 116.61 1s20 s ALA 142 Ca 0.63 0.08 0.10 0.00 0.00 0.00 0.00 51.96 52.77 1s20 s ALA 142 Cb -0.16 -4.27 0.46 0.00 0.00 0.00 0.00 23.12 19.14 1s20 s ALA 142 CO 0.40 -3.97 1.14 1.33 0.00 0.00 0.00 175.76 174.67 1s20 n VAL 143 N 7.80 2.18 -4.82 0.00 0.24 -0.69 -4.73 118.33 118.32 1s20 n VAL 143 Ca 0.32 -4.10 -0.25 0.00 -2.04 0.00 0.00 64.34 58.27 1s20 n VAL 143 Cb 0.52 -0.65 -0.16 0.00 -1.47 0.00 0.00 33.84 32.08 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 -3.59 1.49 0.65 7.34 0.04 -1.25 -4.67 135.00 135.02 1s20 s PRO 145 Ca 0.45 -0.61 -0.17 0.00 0.04 0.00 0.00 61.00 60.71 1s20 s PRO 145 Cb 0.40 -1.40 -0.00 0.00 0.04 0.00 0.00 34.50 33.54 1s20 s PRO 145 CO -0.03 0.33 1.20 -1.25 0.04 0.00 0.00 177.00 177.30 1s20 s PRO 146 N -0.28 2.63 -0.17 0.56 0.04 -1.26 -4.81 135.00 131.71 1s20 s PRO 146 Ca 0.04 1.76 -0.38 0.00 0.04 0.00 0.00 61.00 62.46 1s20 s PRO 146 Cb -0.08 -1.89 -0.15 0.00 0.04 0.00 0.00 34.50 32.42 1s20 s PRO 146 CO 0.00 -1.46 1.73 1.87 0.04 0.00 0.00 177.00 179.18 1s20 n TRP 147 N -2.11 2.08 0.00 0.56 -0.00 -1.26 -0.49 117.44 116.22 1s20 n TRP 147 Ca 0.13 0.39 0.00 0.00 -0.00 0.00 0.00 57.50 58.02 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 4.05 1.56 3.82 5.87 0.00 -1.26 -5.08 105.19 114.15 1s20 n GLY 148 Ca 0.24 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.04 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 -2.29 3.73 -0.30 4.61 0.00 0.35 -5.02 121.76 122.84 1s20 s ALA 149 Ca 0.00 -1.69 0.04 0.00 0.00 0.00 0.00 51.96 50.30 1s20 s ALA 149 Cb 0.00 -1.05 -0.01 0.00 0.00 0.00 0.00 23.12 22.06 1s20 s ALA 149 CO 0.00 0.02 0.34 0.36 0.00 0.00 0.00 175.76 176.48 1s20 n LYS 150 N -1.30 3.39 -4.24 0.00 2.85 -1.26 -4.69 118.16 112.90 1s20 n LYS 150 Ca -0.02 -0.29 -0.33 0.00 -1.05 0.00 0.00 58.31 56.62 1s20 n LYS 150 Cb 0.60 -0.83 -0.08 0.00 -0.65 0.00 0.00 35.03 34.07 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 -0.95 2.84 -0.06 -1.58 2.12 -1.26 -4.81 118.70 115.00 1s20 s GLU 151 Ca 0.03 -0.59 -0.30 0.00 0.36 0.00 0.00 54.97 54.47 1s20 s GLU 151 Cb 0.03 -2.71 -0.03 0.00 0.26 0.00 0.00 34.13 31.68 1s20 s GLU 151 CO 0.11 0.63 1.23 0.00 -0.54 0.00 0.00 175.26 176.68 1s20 n ARG 153 N 5.36 0.00 -4.31 0.00 5.12 -1.26 -4.84 116.66 116.72 1s20 n ARG 153 Ca 0.11 -0.11 -0.17 0.00 -1.93 0.00 0.00 57.85 55.76 1s20 n ARG 153 Cb 0.46 -0.35 -0.10 0.00 -1.16 0.00 0.00 32.46 31.30 1s20 n ARG 153 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 1s20 s ILE 154 N 0.00 1.39 0.37 0.55 1.09 -1.26 -4.79 121.20 118.54 1s20 s ILE 154 Ca 0.00 -2.12 0.08 0.00 -1.10 0.00 0.00 60.65 57.51 1s20 s ILE 154 Cb 0.00 -2.04 -0.03 0.00 -1.06 0.00 0.00 42.46 39.33 1s20 s ILE 154 CO 0.00 -0.60 0.27 -0.83 -0.10 0.00 0.00 174.94 173.69 1s20 s GLY 155 N -3.26 1.99 0.00 6.18 0.00 -1.26 -1.70 107.32 109.27 1s20 s GLY 155 Ca 0.21 -1.82 0.25 0.00 0.00 0.00 0.00 44.72 43.37 1s20 s GLY 155 CO 0.05 -1.69 1.83 -1.30 0.00 0.00 0.00 173.10 171.99 1s20 n THR 156 N -1.37 0.23 -0.64 0.90 -2.24 -1.26 -4.88 114.28 105.03 1s20 n THR 156 Ca -0.00 0.06 0.00 0.00 -2.27 0.00 0.00 64.05 61.83 1s20 n THR 156 Cb 0.61 -0.62 0.00 0.00 -2.10 0.00 0.00 70.33 68.22 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 -1.43 0.00 -4.75 3.42 5.03 -1.26 -4.41 115.26 111.86 1s20 n ASN 157 Ca 0.08 0.00 -0.42 0.00 0.87 0.00 0.00 54.58 55.12 1s20 n ASN 157 Cb 0.27 0.00 -0.02 0.00 -1.02 0.00 0.00 39.78 39.01 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 -0.29 4.11 -0.21 3.52 0.02 -1.26 -4.76 135.00 136.14 1s20 s PRO 158 Ca 0.00 2.60 -0.05 0.00 0.02 0.00 0.00 61.00 63.56 1s20 s PRO 158 Cb 0.00 -3.02 -0.02 0.00 0.02 0.00 0.00 34.50 31.47 1s20 s PRO 158 CO 0.00 -0.66 0.01 -1.17 -0.33 0.00 0.00 177.00 174.85 1s20 s LEU 159 N -0.35 3.26 -0.07 -5.54 0.20 -1.26 -3.62 118.68 111.30 1s20 s LEU 159 Ca 0.65 -0.22 0.03 0.00 0.69 0.00 0.00 54.13 55.28 1s20 s LEU 159 Cb -0.48 -1.84 -0.02 0.00 -0.43 0.00 0.00 46.19 43.42 1s20 s LEU 159 CO 0.47 0.04 -0.15 -0.63 -0.29 0.00 0.00 176.35 175.78 1s20 s ILE 160 N 1.17 2.94 -0.13 6.68 1.09 -0.28 -4.09 121.20 128.59 1s20 s ILE 160 Ca 0.03 -0.75 -0.04 0.00 -1.10 0.00 0.00 60.65 58.80 1s20 s ILE 160 Cb -0.14 -2.17 0.06 0.00 -1.06 0.00 0.00 42.46 39.15 1s20 s ILE 160 CO 0.02 0.57 0.15 -0.69 -0.10 0.00 0.00 174.94 174.88 1s20 s VAL 161 N -0.40 -0.22 -0.04 2.92 1.01 -0.55 -2.17 120.40 120.95 1s20 s VAL 161 Ca 0.04 0.14 0.06 0.00 0.00 0.00 0.00 61.98 62.22 1s20 s VAL 161 Cb -0.12 -0.43 -0.01 0.00 0.00 0.00 0.00 36.38 35.82 1s20 s VAL 161 CO 0.02 -0.03 -0.21 0.00 0.00 0.00 0.00 175.10 174.88 1s20 s ALA 162 N 2.25 1.80 -0.07 5.51 0.00 0.83 -0.49 121.76 131.59 1s20 s ALA 162 Ca 0.04 -0.88 0.02 0.00 0.00 0.00 0.00 51.96 51.14 1s20 s ALA 162 Cb -0.14 -0.53 -0.02 0.00 0.00 0.00 0.00 23.12 22.43 1s20 s ALA 162 CO -0.08 0.38 -0.12 0.42 0.00 0.00 0.00 175.76 176.36 1s20 s ILE 163 N -0.24 3.22 -0.11 0.00 -1.09 0.94 -0.76 121.20 123.15 1s20 s ILE 163 Ca 0.01 -0.65 -0.05 0.00 -2.23 0.00 0.00 60.65 57.74 1s20 s ILE 163 Cb -0.11 -2.30 -0.19 0.00 -1.58 0.00 0.00 42.46 38.29 1s20 s ILE 163 CO 0.01 0.57 2.78 -0.81 -1.23 0.00 0.00 174.94 176.26 1s20 n PRO 164 N 2.60 1.59 -2.77 2.79 -0.04 -1.26 -2.92 135.00 135.00 1s20 n PRO 164 Ca -0.18 -0.83 -0.21 0.00 -0.04 0.00 0.00 63.50 62.25 1s20 n PRO 164 Cb 0.52 -1.93 0.07 0.00 -0.04 0.00 0.00 33.50 32.12 1s20 n PRO 164 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1s20 s SER 165 N 2.32 4.92 -0.22 3.54 1.04 -1.26 -4.96 113.70 119.07 1s20 s SER 165 Ca 0.50 -0.42 0.02 0.00 0.48 0.00 0.00 55.95 56.52 1s20 s SER 165 Cb 0.23 -0.20 0.05 0.00 0.10 0.00 0.00 66.02 66.19 1s20 s SER 165 CO -0.00 -1.43 -0.11 -0.89 0.98 0.00 0.00 173.24 171.79 1s20 s THR 166 N -2.83 1.86 0.89 2.02 2.01 -1.26 -1.78 115.64 116.54 1s20 s THR 166 Ca 0.62 -1.26 -0.13 0.00 0.31 0.00 0.00 61.69 61.23 1s20 s THR 166 Cb -0.07 -1.94 0.13 0.00 0.01 0.00 0.00 72.50 70.62 1s20 s THR 166 CO 0.40 0.10 1.18 -2.16 -0.69 0.00 0.00 174.62 173.45 1s20 s PRO 167 N 1.28 1.34 0.13 4.92 0.04 -1.26 -5.04 135.00 136.41 1s20 s PRO 167 Ca -0.04 0.09 -0.34 0.00 0.04 0.00 0.00 61.00 60.76 1s20 s PRO 167 Cb -0.18 -1.88 -0.13 0.00 0.04 0.00 0.00 34.50 32.35 1s20 s PRO 167 CO -0.07 -2.02 1.65 -0.89 0.04 0.00 0.00 177.00 175.70 1s20 n ILE 168 N -3.61 0.11 -4.11 0.56 5.41 -0.73 -5.01 119.36 111.98 1s20 n ILE 168 Ca 0.09 -0.02 -0.32 0.00 1.00 0.00 0.00 62.75 63.50 1s20 n ILE 168 Cb 0.60 -1.67 -0.07 0.00 -0.71 0.00 0.00 39.64 37.79 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 1.50 4.54 -0.11 1.39 2.01 -1.15 -4.22 115.64 119.61 1s20 s THR 169 Ca 0.81 -0.61 -0.15 0.00 0.31 0.00 0.00 61.69 62.05 1s20 s THR 169 Cb -0.65 -3.12 0.04 0.00 0.01 0.00 0.00 72.50 68.78 1s20 s THR 169 CO 0.39 0.25 0.38 0.68 -0.69 0.00 0.00 174.62 175.64 1s20 s VAL 171 N -1.26 0.01 -0.03 3.82 -7.23 0.36 -0.04 120.40 116.02 1s20 s VAL 171 Ca 0.25 -0.11 -0.02 0.00 -1.81 0.00 0.00 61.98 60.28 1s20 s VAL 171 Cb -0.12 -0.58 0.02 0.00 0.56 0.00 0.00 36.38 36.25 1s20 s VAL 171 CO 0.17 -0.06 0.08 -0.62 -0.31 0.00 0.00 175.10 174.36 1s20 s ASP 172 N -0.21 -0.07 0.00 4.85 -1.08 -1.26 -1.49 116.67 117.41 1s20 s ASP 172 Ca -0.04 0.17 0.00 0.00 -0.52 0.00 0.00 52.55 52.16 1s20 s ASP 172 Cb -0.03 0.13 0.00 0.00 -1.46 0.00 0.00 42.92 41.56 1s20 s ASP 172 CO 0.02 -0.06 0.00 -1.54 0.52 0.00 0.00 175.17 174.10 1s20 n SER 174 N 3.42 0.00 0.00 -0.34 3.41 -1.26 -4.94 113.62 113.91 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 0.57 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.52 1s20 n SER 174 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1s20 n SER 176 N 0.00 0.00 -3.37 4.04 3.41 -1.26 -4.87 113.62 111.56 1s20 n SER 176 Ca 0.00 0.00 -0.35 0.00 -0.26 0.00 0.00 58.87 58.26 1s20 n SER 176 Cb 0.00 0.00 -0.01 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 1.91 -0.92 -1.90 7.33 3.01 -1.26 -4.96 117.46 120.67 1s20 n PHE 178 Ca 0.00 0.64 -0.32 0.00 1.01 0.00 0.00 57.45 58.77 1s20 n PHE 178 Cb 0.00 -1.46 0.02 0.00 -0.01 0.00 0.00 39.48 38.04 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 -0.77 5.68 0.28 4.37 1.04 -1.26 -4.88 113.70 118.15 1s20 s SER 179 Ca 0.48 1.74 -0.04 0.00 0.48 0.00 0.00 55.95 58.62 1s20 s SER 179 Cb -0.62 -2.52 0.36 0.00 0.10 0.00 0.00 66.02 63.34 1s20 s SER 179 CO 0.46 -1.24 1.95 1.88 0.98 0.00 0.00 173.24 177.27 1s20 h TYR 180 N 0.08 1.14 0.00 5.02 -1.99 -2.00 -1.84 116.97 117.38 1s20 h TYR 180 Ca -0.46 0.03 0.00 0.00 2.00 0.00 0.00 58.73 60.30 1s20 h TYR 180 Cb 1.22 -0.39 0.00 0.00 2.00 0.00 0.00 36.73 39.56 1s20 h TYR 180 CO 0.60 0.72 0.00 0.41 -0.00 0.00 0.00 178.16 179.89 1s20 n GLY 181 N -1.40 0.00 2.33 3.88 0.00 -1.26 -2.07 105.19 106.68 1s20 n GLY 181 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 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 0.78 0.00 -0.13 0.99 4.77 -0.69 -1.82 117.00 120.89 1s20 n LEU 183 Ca 0.00 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.87 1s20 n LEU 183 Cb 0.00 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.07 1s20 n LEU 183 CO 0.00 0.00 0.71 -0.08 -1.33 0.00 0.00 177.39 176.69 1s20 h GLU 184 N 0.00 0.77 -0.43 3.23 4.81 -1.70 -1.67 114.58 119.58 1s20 h GLU 184 Ca 0.00 -0.30 0.05 0.00 -0.13 0.00 0.00 59.36 58.98 1s20 h GLU 184 Cb 0.00 -0.04 -0.05 0.00 0.63 0.00 0.00 28.75 29.29 1s20 h GLU 184 CO 0.00 0.91 0.14 0.28 -0.73 0.00 0.00 179.01 179.61 1s20 h VAL 185 N 0.57 0.86 -0.39 0.32 2.07 -1.65 -0.92 116.25 117.11 1s20 h VAL 185 Ca 0.10 -0.10 -0.03 0.00 0.82 0.00 0.00 66.70 67.48 1s20 h VAL 185 Cb 0.64 0.52 -0.02 0.00 -1.52 0.00 0.00 31.29 30.92 1s20 h VAL 185 CO 0.04 0.06 0.14 0.78 0.02 0.00 0.00 177.57 178.61 1s20 h ASN 186 N 0.31 0.56 0.08 0.57 4.21 -1.82 -1.94 115.58 117.55 1s20 h ASN 186 Ca 0.20 -0.19 0.02 0.00 1.21 0.00 0.00 56.30 57.54 1s20 h ASN 186 Cb 0.20 -0.15 -0.03 0.00 -1.12 0.00 0.00 38.32 37.23 1s20 h ASN 186 CO -0.21 0.60 -0.18 -0.09 -1.29 0.00 0.00 177.43 176.26 1s20 h ARG 187 N 0.49 -0.32 -0.86 0.81 2.43 -0.90 0.83 114.38 116.86 1s20 h ARG 187 Ca 0.13 0.02 0.12 0.00 -0.81 0.00 0.00 59.98 59.44 1s20 h ARG 187 Cb 0.23 0.07 -0.06 0.00 -0.42 0.00 0.00 29.97 29.79 1s20 h ARG 187 CO -0.01 -0.22 0.56 -0.07 -1.51 0.00 0.00 179.97 178.72 1s20 h LEU 188 N -0.34 0.69 -0.01 3.80 3.38 -1.11 0.48 115.31 122.21 1s20 h LEU 188 Ca 0.03 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1s20 h LEU 188 Cb 0.36 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.00 1s20 h LEU 188 CO -0.11 0.38 -0.00 0.00 0.09 0.00 0.00 178.44 178.80 1s20 n ALA 189 N -2.43 2.50 -3.06 1.53 0.00 -0.67 -4.91 120.51 113.47 1s20 n ALA 189 Ca 0.16 -0.15 -0.20 0.00 0.00 0.00 0.00 53.44 53.25 1s20 n ALA 189 Cb 0.38 -1.49 0.04 0.00 0.00 0.00 0.00 19.45 18.39 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 1.27 -0.34 3.30 0.00 0.00 0.17 -5.01 105.19 104.57 1s20 n GLY 190 Ca 0.15 0.04 -0.26 0.00 0.00 0.00 0.00 46.02 45.94 1s20 n GLY 190 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1s20 s ARG 191 N -5.71 1.36 0.81 1.61 1.70 -0.46 -5.02 118.95 113.23 1s20 s ARG 191 Ca 0.33 -1.10 -0.12 0.00 -0.47 0.00 0.00 55.73 54.37 1s20 s ARG 191 Cb -0.15 -1.59 0.08 0.00 -0.57 0.00 0.00 34.95 32.72 1s20 s ARG 191 CO 0.41 0.39 1.17 -0.65 -1.08 0.00 0.00 175.30 175.54 1s20 s GLN 192 N -1.56 1.98 0.27 3.89 -1.52 -1.26 -4.32 119.66 117.14 1s20 s GLN 192 Ca 0.09 0.17 -0.29 0.00 -1.95 0.00 0.00 55.36 53.37 1s20 s GLN 192 Cb -0.10 -1.95 -0.09 0.00 -0.22 0.00 0.00 33.01 30.66 1s20 s GLN 192 CO 0.03 -1.60 1.01 -0.51 -0.25 0.00 0.00 175.29 173.98 1s20 s LEU 193 N -5.60 4.58 0.00 2.90 1.43 -0.26 -4.91 118.68 116.82 1s20 s LEU 193 Ca 0.62 2.08 0.08 0.00 -1.03 0.00 0.00 54.13 55.88 1s20 s LEU 193 Cb -0.11 -3.65 0.39 0.00 0.03 0.00 0.00 46.19 42.84 1s20 s LEU 193 CO 0.50 0.00 1.12 -0.81 0.23 0.00 0.00 176.35 177.39 1s20 n PRO 194 N 1.27 0.11 -3.55 1.29 -0.04 -1.26 -4.74 135.00 128.08 1s20 n PRO 194 Ca -0.01 0.22 -0.07 0.00 -0.04 0.00 0.00 63.50 63.60 1s20 n PRO 194 Cb 0.46 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.40 1s20 n PRO 194 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1s20 s VAL 195 N -2.59 0.00 -0.03 0.52 0.11 -1.26 -5.13 120.40 112.02 1s20 s VAL 195 Ca 0.07 -0.07 -0.38 0.00 -2.93 0.00 0.00 61.98 58.67 1s20 s VAL 195 Cb 0.05 -1.13 -0.16 0.00 -1.53 0.00 0.00 36.38 33.61 1s20 s VAL 195 CO 0.12 0.00 1.50 0.47 -3.33 0.00 0.00 175.10 173.86 1s20 n ASP 196 N -0.25 2.01 -0.12 3.54 10.43 -1.26 -4.78 116.55 126.12 1s20 n ASP 196 Ca -0.07 1.10 0.02 0.00 2.57 0.00 0.00 54.79 58.41 1s20 n ASP 196 Cb 0.61 -1.19 0.03 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 3.16 1.36 0.00 0.44 0.00 -0.79 -4.93 105.19 104.43 1s20 n GLY 197 Ca 0.21 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.97 1s20 n GLY 197 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1s20 n GLY 198 N -0.49 1.79 3.82 -0.02 0.00 -1.21 -0.93 105.19 108.16 1s20 n GLY 198 Ca 0.04 -1.05 -0.29 0.00 0.00 0.00 0.00 46.02 44.72 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 3.25 0.36 1.61 0.08 -0.33 0.84 117.98 121.80 1s20 s PHE 199 Ca 0.00 0.08 -0.02 0.00 0.12 0.00 0.00 56.93 57.11 1s20 s PHE 199 Cb 0.00 -1.61 0.08 0.00 -0.57 0.00 0.00 43.02 40.91 1s20 s PHE 199 CO 0.00 0.53 0.49 -0.40 -0.10 0.00 0.00 175.22 175.74 1s20 n ASP 200 N 0.09 0.49 0.30 1.36 3.85 -0.46 -4.57 116.55 117.61 1s20 n ASP 200 Ca -0.08 -1.45 0.16 0.00 -0.71 0.00 0.00 54.79 52.71 1s20 n ASP 200 Cb 0.53 -0.34 0.95 0.00 -1.35 0.00 0.00 41.12 40.91 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 -0.40 0.00 0.46 -1.12 5.19 -1.92 -0.92 116.42 117.71 1s20 h ASP 201 Ca -0.16 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.25 1s20 h ASP 201 Cb 0.56 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.07 1s20 h ASP 201 CO 0.16 0.01 -0.36 -0.62 -3.12 0.00 0.00 179.24 175.31 1s20 n GLU 202 N -3.71 0.28 -0.90 3.56 -0.58 -1.26 -4.95 120.64 113.08 1s20 n GLU 202 Ca -0.03 -0.15 0.00 0.00 -0.42 0.00 0.00 57.16 56.56 1s20 n GLU 202 Cb 0.09 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.47 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 1.44 0.93 3.61 0.62 0.00 -0.35 -5.08 105.19 106.36 1s20 n GLY 203 Ca 0.08 -0.54 -0.34 0.00 0.00 0.00 0.00 46.02 45.22 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 -2.56 4.88 0.05 1.61 0.01 -1.26 -4.81 114.94 112.86 1s20 s ASN 204 Ca 0.00 0.03 -0.33 0.00 -0.71 0.00 0.00 52.86 51.85 1s20 s ASN 204 Cb 0.00 -1.35 -0.12 0.00 0.41 0.00 0.00 41.25 40.20 1s20 s ASN 204 CO 0.00 0.35 1.82 0.18 -1.51 0.00 0.00 177.10 177.93 1s20 n LEU 205 N 2.33 3.67 -4.40 0.60 4.77 -1.26 -1.36 117.00 121.35 1s20 n LEU 205 Ca -0.18 0.99 -0.20 0.00 -0.03 0.00 0.00 56.01 56.59 1s20 n LEU 205 Cb 0.53 -1.46 -0.10 0.00 -2.33 0.00 0.00 43.42 40.06 1s20 n LEU 205 CO 0.28 0.01 -0.35 0.28 -1.33 0.00 0.00 177.39 176.28 1s20 s THR 206 N 3.01 1.43 -0.03 -5.08 -1.32 0.25 -4.91 115.64 108.98 1s20 s THR 206 Ca 0.86 -2.08 0.04 0.00 -1.21 0.00 0.00 61.69 59.29 1s20 s THR 206 Cb -0.59 -2.45 0.06 0.00 -1.51 0.00 0.00 72.50 68.01 1s20 s THR 206 CO 0.43 -0.28 0.96 0.29 -2.21 0.00 0.00 174.62 173.81 1s20 n LYS 207 N -0.55 2.10 -3.03 7.08 5.02 -1.26 -1.89 118.16 125.63 1s20 n LYS 207 Ca -0.05 -1.57 -0.43 0.00 -2.02 0.00 0.00 58.31 54.24 1s20 n LYS 207 Cb 0.64 -1.01 -0.06 0.00 -0.02 0.00 0.00 35.03 34.58 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 -1.21 3.29 0.22 1.97 2.12 -1.26 -1.10 118.70 122.73 1s20 s GLU 208 Ca 0.07 -0.38 -0.15 0.00 0.36 0.00 0.00 54.97 54.87 1s20 s GLU 208 Cb 0.06 -3.99 0.25 0.00 0.26 0.00 0.00 34.13 30.70 1s20 s GLU 208 CO 0.01 -1.15 1.60 -1.35 -0.54 0.00 0.00 175.26 173.82 1s20 h PRO 209 N 9.00 -0.05 -0.74 4.30 0.11 -1.88 -2.34 132.00 140.40 1s20 h PRO 209 Ca -0.26 0.00 0.07 0.00 0.11 0.00 0.00 66.00 65.92 1s20 h PRO 209 Cb 1.09 0.01 -0.06 0.00 0.11 0.00 0.00 31.00 32.15 1s20 h PRO 209 CO 0.96 -0.03 0.43 0.78 -0.21 0.00 0.00 178.00 179.92 1s20 h GLY 210 N -0.05 1.11 0.75 -0.55 0.00 -1.93 -1.58 103.07 100.83 1s20 h GLY 210 Ca 0.32 -0.30 0.03 0.00 0.00 0.00 0.00 47.33 47.38 1s20 h GLY 210 CO -0.75 0.17 0.04 -2.08 0.00 0.00 0.00 176.54 173.92 1s20 h VAL 211 N 0.76 0.90 -0.44 4.60 2.07 -1.84 -2.73 116.25 119.57 1s20 h VAL 211 Ca 0.34 -0.04 -0.09 0.00 0.82 0.00 0.00 66.70 67.73 1s20 h VAL 211 Cb 0.23 0.77 -0.02 0.00 -1.52 0.00 0.00 31.29 30.75 1s20 h VAL 211 CO -0.20 0.02 -0.08 0.40 0.02 0.00 0.00 177.57 177.73 1s20 h ILE 212 N 0.12 1.25 -0.04 4.57 2.04 -1.41 -2.75 117.51 121.29 1s20 h ILE 212 Ca 0.10 -1.12 -0.03 0.00 1.00 0.00 0.00 64.86 64.81 1s20 h ILE 212 Cb 0.10 1.00 -0.01 0.00 -0.74 0.00 0.00 36.82 37.17 1s20 h ILE 212 CO -0.13 0.38 -0.10 -0.33 0.00 0.00 0.00 178.15 177.97 1s20 h GLU 213 N 0.70 0.06 0.14 2.37 5.08 -1.01 0.26 114.58 122.19 1s20 h GLU 213 Ca 0.12 -0.01 -0.35 0.00 -1.00 0.00 0.00 59.36 58.12 1s20 h GLU 213 Cb 0.55 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.78 1s20 h GLU 213 CO 0.03 0.17 -1.86 0.87 -1.00 0.00 0.00 179.01 177.22 1s20 h LYS 214 N 0.06 0.31 -0.00 2.33 1.57 -1.29 -3.36 116.57 116.19 1s20 h LYS 214 Ca 0.01 -0.52 0.00 0.00 -1.87 0.00 0.00 60.65 58.27 1s20 h LYS 214 Cb 0.22 0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.72 1s20 h LYS 214 CO 0.01 1.22 -0.41 0.27 -0.57 0.00 0.00 179.45 179.97 1s20 n ASN 215 N -3.50 0.57 -1.71 0.86 0.23 -1.06 -4.93 115.26 105.72 1s20 n ASN 215 Ca -0.27 -0.34 -0.16 0.00 -0.53 0.00 0.00 54.58 53.27 1s20 n ASN 215 Cb 1.06 0.18 -0.05 0.00 -2.08 0.00 0.00 39.78 38.88 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 -1.32 -1.52 -1.79 -3.83 1.74 0.08 -4.85 116.66 105.18 1s20 n ARG 216 Ca 0.07 0.90 -0.35 0.00 -0.77 0.00 0.00 57.85 57.70 1s20 n ARG 216 Cb 0.34 -5.29 -0.03 0.00 -1.02 0.00 0.00 32.46 26.46 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 -2.28 3.80 -2.08 5.56 1.74 -1.25 -4.53 116.66 117.63 1s20 n ARG 217 Ca -0.17 -3.02 -0.41 0.00 -0.77 0.00 0.00 57.85 53.48 1s20 n ARG 217 Cb 0.56 -2.46 -0.02 0.00 -1.02 0.00 0.00 32.46 29.51 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 -1.42 2.79 0.08 0.55 2.07 -1.26 -1.18 121.20 122.83 1s20 s ILE 218 Ca 0.56 0.68 -0.30 0.00 -1.41 0.00 0.00 60.65 60.19 1s20 s ILE 218 Cb 0.25 -3.44 -0.05 0.00 0.13 0.00 0.00 42.46 39.36 1s20 s ILE 218 CO -0.14 0.12 0.99 -0.22 -1.91 0.00 0.00 174.94 173.78 1s20 s LEU 219 N -0.61 4.45 0.00 8.50 2.96 -0.11 -4.59 118.68 129.28 1s20 s LEU 219 Ca 0.57 1.79 0.00 0.00 -0.22 0.00 0.00 54.13 56.26 1s20 s LEU 219 Cb -0.40 -3.58 0.00 0.00 0.50 0.00 0.00 46.19 42.70 1s20 s LEU 219 CO 0.44 -0.16 0.00 -2.65 -1.32 0.00 0.00 176.35 172.66 1s20 n PRO 220 N 3.17 0.00 0.00 0.98 -0.02 -1.26 -4.49 135.00 133.38 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 0.49 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.97 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 3.43 0.00 7.00 -1.23 0.00 -1.26 -4.79 105.19 108.34 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 0.30 1.61 4.01 -1.26 -1.93 117.16 119.89 1s20 n TYR 223 Ca 0.00 0.00 0.18 0.00 -0.16 0.00 0.00 57.90 57.92 1s20 n TYR 223 Cb 0.00 0.00 0.95 0.00 -0.31 0.00 0.00 39.34 39.98 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 -0.18 -0.72 0.09 -1.98 -2.25 115.95 110.91 1s20 h TRP 224 Ca 0.00 0.00 -0.10 0.00 0.09 0.00 0.00 58.89 58.88 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 0.03 -0.26 0.87 0.09 0.00 0.00 178.44 179.17 1s20 h LYS 225 N 0.00 0.49 -0.17 0.12 1.57 -1.77 -1.87 116.57 114.94 1s20 h LYS 225 Ca -0.00 -0.29 -0.11 0.00 -1.87 0.00 0.00 60.65 58.38 1s20 h LYS 225 Cb 0.16 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.48 1s20 h LYS 225 CO 0.00 0.88 -0.37 0.78 -0.57 0.00 0.00 179.45 180.18 1s20 h GLY 226 N 0.13 0.40 0.93 3.86 0.00 -1.61 -2.82 103.07 103.96 1s20 h GLY 226 Ca 0.02 -0.37 -0.03 0.00 0.00 0.00 0.00 47.33 46.95 1s20 h GLY 226 CO 0.06 0.34 0.12 0.23 0.00 0.00 0.00 176.54 177.29 1s20 h SER 227 N 0.31 0.53 0.00 0.19 0.87 -1.38 -1.19 113.55 112.89 1s20 h SER 227 Ca 0.03 -0.20 0.00 0.00 -1.23 0.00 0.00 61.79 60.40 1s20 h SER 227 Cb 0.80 -0.14 0.00 0.00 -0.44 0.00 0.00 62.40 62.62 1s20 h SER 227 CO 0.06 0.59 0.00 0.61 -0.53 0.00 0.00 176.83 177.56 1s20 n GLY 228 N -0.67 0.49 3.50 5.77 0.00 -0.71 -2.56 105.19 111.01 1s20 n GLY 228 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 0.60 0.00 0.17 1.61 2.88 -0.45 -2.29 113.62 116.13 1s20 n SER 230 Ca 0.00 0.00 -0.14 0.00 -1.33 0.00 0.00 58.87 57.40 1s20 n SER 230 Cb 0.10 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.48 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 0.75 -0.84 2.46 2.04 -1.76 -1.97 117.51 118.18 1s20 h ILE 231 Ca 0.00 -0.19 0.01 0.00 1.00 0.00 0.00 64.86 65.68 1s20 h ILE 231 Cb 0.00 0.87 -0.04 0.00 -0.74 0.00 0.00 36.82 36.90 1s20 h ILE 231 CO 0.00 0.04 0.56 -0.37 0.00 0.00 0.00 178.15 178.38 1s20 h VAL 232 N -0.47 1.22 -0.80 1.67 -1.51 -1.77 -1.05 116.25 113.54 1s20 h VAL 232 Ca -0.04 -0.39 -0.02 0.00 -1.23 0.00 0.00 66.70 65.02 1s20 h VAL 232 Cb 0.35 -0.03 -0.04 0.00 -2.13 0.00 0.00 31.29 29.45 1s20 h VAL 232 CO 0.06 0.21 0.43 -0.07 -1.23 0.00 0.00 177.57 176.97 1s20 h LEU 233 N 1.14 1.00 -1.68 4.19 3.38 -1.79 -0.94 115.31 120.62 1s20 h LEU 233 Ca 0.31 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.19 1s20 h LEU 233 Cb -0.13 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.37 1s20 h LEU 233 CO -0.07 0.81 0.00 -0.67 0.09 0.00 0.00 178.44 178.60 1s20 n ASP 234 N -4.34 0.59 0.00 -0.43 2.03 -0.40 -1.46 116.55 112.54 1s20 n ASP 234 Ca 0.08 -0.50 0.00 0.00 0.52 0.00 0.00 54.79 54.89 1s20 n ASP 234 Cb 0.10 -0.13 0.00 0.00 -0.72 0.00 0.00 41.12 40.38 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 -0.32 5.18 5.41 -0.36 -1.01 119.36 128.98 1s20 n ILE 236 Ca 0.00 0.00 0.02 0.00 1.00 0.00 0.00 62.75 63.77 1s20 n ILE 236 Cb 0.10 0.00 0.21 0.00 -0.71 0.00 0.00 39.64 39.24 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 1.44 -0.11 -1.39 0.00 -1.51 -1.26 119.26 116.43 1s20 h ALA 237 Ca 0.00 -0.04 -0.16 0.00 0.00 0.00 0.00 54.91 54.71 1s20 h ALA 237 Cb 0.00 -0.31 0.01 0.00 0.00 0.00 0.00 17.79 17.49 1s20 h ALA 237 CO 0.00 0.45 -0.56 1.15 0.00 0.00 0.00 179.25 180.29 1s20 h THR 238 N 1.12 1.35 0.61 0.00 2.02 -1.33 -3.11 112.91 113.56 1s20 h THR 238 Ca 0.38 -1.86 -0.03 0.00 0.77 0.00 0.00 66.41 65.67 1s20 h THR 238 Cb 0.08 2.17 0.01 0.00 -1.74 0.00 0.00 68.15 68.66 1s20 h THR 238 CO -0.13 0.57 -0.29 -0.07 0.37 0.00 0.00 175.52 175.97 1s20 h LEU 239 N 0.19 -0.69 -2.05 2.58 3.38 -1.72 0.16 115.31 117.16 1s20 h LEU 239 Ca -0.04 0.02 0.11 0.00 0.09 0.00 0.00 57.88 58.07 1s20 h LEU 239 Cb 1.20 0.18 -0.02 0.00 0.09 0.00 0.00 40.66 42.12 1s20 h LEU 239 CO 0.12 -0.37 0.34 -0.07 0.09 0.00 0.00 178.44 178.54 1s20 h LEU 240 N -1.06 0.00 -0.94 1.67 3.38 -1.39 -0.93 115.31 116.04 1s20 h LEU 240 Ca -0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.89 1s20 h LEU 240 Cb 0.62 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.37 1s20 h LEU 240 CO 0.14 0.00 -0.26 -1.54 0.09 0.00 0.00 178.44 176.87 1s20 n SER 241 N -4.09 1.61 -3.97 -0.43 3.41 -1.17 -4.75 113.62 104.23 1s20 n SER 241 Ca 0.07 -1.30 -0.26 0.00 -0.26 0.00 0.00 58.87 57.11 1s20 n SER 241 Cb 0.52 0.41 -0.02 0.00 -0.26 0.00 0.00 64.21 64.86 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 -0.03 -0.78 -0.71 4.04 -0.08 0.50 -4.62 116.55 114.88 1s20 n ASP 242 Ca 0.06 -0.99 0.00 0.00 -1.51 0.00 0.00 54.79 52.35 1s20 n ASP 242 Cb 0.31 -3.09 0.00 0.00 2.34 0.00 0.00 41.12 40.69 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 -1.90 6.40 3.75 0.27 0.00 -0.82 -5.01 105.19 107.87 1s20 n GLY 243 Ca -0.26 -2.09 -0.40 0.00 0.00 0.00 0.00 46.02 43.26 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 3.34 0.67 4.61 0.00 -1.26 -4.78 121.76 122.34 1s20 s ALA 244 Ca 0.00 0.67 0.04 0.00 0.00 0.00 0.00 51.96 52.68 1s20 s ALA 244 Cb 0.00 -3.25 0.12 0.00 0.00 0.00 0.00 23.12 20.00 1s20 s ALA 244 CO 0.00 0.09 0.92 -1.13 0.00 0.00 0.00 175.76 175.64 1s20 n SER 245 N 1.66 1.70 -0.12 0.00 3.41 -1.26 -3.95 113.62 115.07 1s20 n SER 245 Ca -0.01 -2.33 -0.06 0.00 -0.26 0.00 0.00 58.87 56.21 1s20 n SER 245 Cb 0.47 -0.55 0.02 0.00 -0.26 0.00 0.00 64.21 63.88 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 -0.30 0.96 -0.09 -3.33 2.07 -1.92 -0.17 116.25 113.47 1s20 h VAL 246 Ca -0.31 -0.13 0.02 0.00 0.82 0.00 0.00 66.70 67.11 1s20 h VAL 246 Cb 1.24 0.56 -0.02 0.00 -1.52 0.00 0.00 31.29 31.55 1s20 h VAL 246 CO 0.37 0.07 -0.04 0.00 0.02 0.00 0.00 177.57 177.99 1s20 h ALA 247 N 1.21 0.04 0.36 1.67 0.00 -1.88 -1.19 119.26 119.47 1s20 h ALA 247 Ca 0.16 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.09 1s20 h ALA 247 Cb 0.09 0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1s20 h ALA 247 CO -0.13 -0.51 -0.17 1.49 0.00 0.00 0.00 179.25 179.93 1s20 h GLU 248 N -0.04 -0.47 -0.13 0.00 4.81 -1.86 -1.87 114.58 115.03 1s20 h GLU 248 Ca 0.05 0.03 0.05 0.00 -0.13 0.00 0.00 59.36 59.36 1s20 h GLU 248 Cb 0.11 0.11 -0.06 0.00 0.63 0.00 0.00 28.75 29.53 1s20 h GLU 248 CO -0.11 -0.30 -0.32 0.28 -0.73 0.00 0.00 179.01 177.83 1s20 h VAL 249 N -0.50 0.29 -0.37 0.32 2.07 -0.94 0.60 116.25 117.72 1s20 h VAL 249 Ca -0.05 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.51 1s20 h VAL 249 Cb 0.38 0.29 -0.04 0.00 -1.52 0.00 0.00 31.29 30.40 1s20 h VAL 249 CO 0.08 0.00 0.14 0.74 0.02 0.00 0.00 177.57 178.55 1s20 h THR 250 N -0.40 0.90 0.08 2.57 2.02 -1.18 -0.81 112.91 116.10 1s20 h THR 250 Ca 0.09 -0.10 -0.19 0.00 0.77 0.00 0.00 66.41 66.99 1s20 h THR 250 Cb 0.54 0.58 -0.00 0.00 -1.74 0.00 0.00 68.15 67.54 1s20 h THR 250 CO -0.35 0.05 -0.94 1.56 0.37 0.00 0.00 175.52 176.22 1s20 h GLN 251 N 0.29 0.17 0.00 6.66 4.20 -1.10 -3.39 115.11 121.94 1s20 h GLN 251 Ca 0.17 -0.29 -0.15 0.00 0.06 0.00 0.00 58.65 58.44 1s20 h GLN 251 Cb 0.14 0.11 -0.02 0.00 0.30 0.00 0.00 27.48 28.00 1s20 h GLN 251 CO -0.16 1.14 -0.69 -0.44 -0.67 0.00 0.00 178.83 178.00 1s20 h ASP 252 N -0.57 0.00 -2.98 1.46 3.32 0.13 -3.46 116.42 114.33 1s20 h ASP 252 Ca -0.20 0.00 -0.61 0.00 0.02 0.00 0.00 57.03 56.23 1s20 h ASP 252 Cb 1.50 0.00 -0.07 0.00 0.22 0.00 0.00 39.33 40.98 1s20 h ASP 252 CO 0.03 0.69 -0.56 0.20 -1.72 0.00 0.00 179.24 177.88 1s20 s ASN 253 N -6.58 5.78 0.22 6.45 0.01 -0.31 -5.02 114.94 115.48 1s20 s ASN 253 Ca 0.02 0.04 0.07 0.00 -0.71 0.00 0.00 52.86 52.28 1s20 s ASN 253 Cb 0.09 -1.61 0.17 0.00 0.41 0.00 0.00 41.25 40.30 1s20 s ASN 253 CO 0.77 0.14 1.50 0.77 -1.51 0.00 0.00 177.10 178.77 1s20 h SER 254 N 2.98 0.11 -5.61 -1.22 4.64 -1.88 -3.43 113.55 109.13 1s20 h SER 254 Ca -0.47 -0.08 -0.31 0.00 -0.47 0.00 0.00 61.79 60.47 1s20 h SER 254 Cb 1.17 -0.03 -0.10 0.00 -0.31 0.00 0.00 62.40 63.13 1s20 h SER 254 CO 0.68 0.80 -0.31 -0.62 -0.87 0.00 0.00 176.83 176.51 1s20 s ASP 255 N -6.85 0.96 -0.91 4.97 -1.08 -1.26 -5.07 116.67 107.42 1s20 s ASP 255 Ca -0.02 -1.51 -0.25 0.00 -0.52 0.00 0.00 52.55 50.26 1s20 s ASP 255 Cb 0.12 0.60 -0.06 0.00 -1.46 0.00 0.00 42.92 42.11 1s20 s ASP 255 CO 0.79 -1.18 2.00 -0.70 0.52 0.00 0.00 175.17 176.61 1s20 s GLU 256 N -3.35 2.42 0.21 4.34 2.12 -1.26 -4.85 118.70 118.33 1s20 s GLU 256 Ca 0.34 -0.26 -0.18 0.00 0.36 0.00 0.00 54.97 55.23 1s20 s GLU 256 Cb 0.01 -5.04 0.02 0.00 0.26 0.00 0.00 34.13 29.38 1s20 s GLU 256 CO 0.21 -3.58 0.55 1.52 -0.54 0.00 0.00 175.26 173.42 1s20 s TYR 257 N 10.81 -0.08 -0.82 5.30 1.13 -1.26 -4.64 117.35 127.78 1s20 s TYR 257 Ca 0.73 -0.27 0.00 0.00 -1.41 0.00 0.00 57.07 56.11 1s20 s TYR 257 Cb -0.07 0.43 0.00 0.00 -1.10 0.00 0.00 41.96 41.22 1s20 s TYR 257 CO 0.02 -0.98 0.00 0.41 -2.51 0.00 0.00 175.55 172.49 1s20 n GLY 258 N -0.37 0.43 3.88 5.49 0.00 0.85 -4.92 105.19 110.55 1s20 n GLY 258 Ca -0.08 -0.57 -0.30 0.00 0.00 0.00 0.00 46.02 45.07 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 -2.39 1.94 -0.04 -0.61 -4.36 0.39 -3.84 121.20 112.29 1s20 s ILE 259 Ca 0.00 0.00 0.06 0.00 -0.26 0.00 0.00 60.65 60.45 1s20 s ILE 259 Cb 0.00 -2.92 -0.02 0.00 1.25 0.00 0.00 42.46 40.77 1s20 s ILE 259 CO 0.00 0.00 -0.24 -0.44 0.24 0.00 0.00 174.94 174.50 1s20 s SER 260 N -4.71 3.20 0.02 4.36 0.01 -1.25 -0.46 113.70 114.86 1s20 s SER 260 Ca 0.73 -0.45 0.02 0.00 1.31 0.00 0.00 55.95 57.55 1s20 s SER 260 Cb -0.05 -0.68 -0.02 0.00 0.21 0.00 0.00 66.02 65.48 1s20 s SER 260 CO 0.53 0.28 -0.07 -1.10 0.41 0.00 0.00 173.24 173.29 1s20 s GLN 261 N -0.38 0.51 -0.09 12.44 -0.21 -0.43 -1.42 119.66 130.09 1s20 s GLN 261 Ca 0.03 -0.53 0.04 0.00 0.02 0.00 0.00 55.36 54.92 1s20 s GLN 261 Cb -0.12 -0.38 -0.01 0.00 1.00 0.00 0.00 33.01 33.50 1s20 s GLN 261 CO 0.02 0.09 -0.23 0.42 -2.12 0.00 0.00 175.29 173.46 1s20 s ILE 262 N -0.85 2.21 -0.10 1.08 -1.09 0.60 -1.23 121.20 121.81 1s20 s ILE 262 Ca -0.05 -0.99 0.02 0.00 -2.23 0.00 0.00 60.65 57.41 1s20 s ILE 262 Cb -0.07 -1.84 0.01 0.00 -1.58 0.00 0.00 42.46 38.99 1s20 s ILE 262 CO 0.00 0.56 -0.17 -0.36 -1.23 0.00 0.00 174.94 173.74 1s20 s PHE 263 N 0.13 2.07 -0.02 3.97 0.08 -0.61 -1.30 117.98 122.29 1s20 s PHE 263 Ca -0.12 -0.92 0.04 0.00 0.12 0.00 0.00 56.93 56.05 1s20 s PHE 263 Cb -0.16 -1.45 -0.00 0.00 -0.57 0.00 0.00 43.02 40.83 1s20 s PHE 263 CO 0.06 -0.44 -0.12 0.42 -0.10 0.00 0.00 175.22 175.04 1s20 s ILE 264 N 0.76 1.01 -0.02 0.64 1.01 0.25 -0.43 121.20 124.41 1s20 s ILE 264 Ca -0.11 -0.52 0.02 0.00 0.00 0.00 0.00 60.65 60.05 1s20 s ILE 264 Cb -0.16 -0.86 0.00 0.00 0.01 0.00 0.00 42.46 41.45 1s20 s ILE 264 CO 0.02 0.29 -0.08 0.00 0.00 0.00 0.00 174.94 175.17 1s20 s ALA 265 N -0.08 0.80 -0.09 9.38 0.00 -0.68 -1.36 121.76 129.73 1s20 s ALA 265 Ca 0.01 -0.30 0.02 0.00 0.00 0.00 0.00 51.96 51.69 1s20 s ALA 265 Cb -0.07 -0.31 0.01 0.00 0.00 0.00 0.00 23.12 22.76 1s20 s ALA 265 CO 0.00 0.13 -0.13 0.42 0.00 0.00 0.00 175.76 176.18 1s20 s ILE 266 N 0.22 1.27 0.29 0.00 1.01 -0.62 -0.78 121.20 122.59 1s20 s ILE 266 Ca -0.03 -0.53 -0.29 0.00 0.00 0.00 0.00 60.65 59.80 1s20 s ILE 266 Cb -0.08 -1.17 -0.10 0.00 0.01 0.00 0.00 42.46 41.12 1s20 s ILE 266 CO 0.00 0.39 1.11 -0.70 0.00 0.00 0.00 174.94 175.75 1s20 s GLU 267 N 0.89 4.58 -0.09 2.79 2.12 -0.37 -0.98 118.70 127.63 1s20 s GLU 267 Ca -0.10 1.81 -0.05 0.00 0.36 0.00 0.00 54.97 57.00 1s20 s GLU 267 Cb -0.15 -3.13 -0.04 0.00 0.26 0.00 0.00 34.13 31.07 1s20 s GLU 267 CO 0.01 0.15 -0.12 0.28 -0.54 0.00 0.00 175.26 175.04 1s20 n VAL 268 N 1.06 0.55 -0.38 3.70 0.31 -1.26 -4.76 118.33 117.54 1s20 n VAL 268 Ca -0.01 -0.12 0.34 0.00 -0.01 0.00 0.00 64.34 64.55 1s20 n VAL 268 Cb 0.45 -1.64 0.68 0.00 -0.91 0.00 0.00 33.84 32.43 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 -0.34 0.15 1.07 4.52 3.32 -1.81 0.12 116.42 123.45 1s20 h ASP 269 Ca -0.23 0.04 0.00 0.00 0.02 0.00 0.00 57.03 56.86 1s20 h ASP 269 Cb 1.18 0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.75 1s20 h ASP 269 CO -0.14 -0.00 -0.12 0.29 -1.72 0.00 0.00 179.24 177.54 1s20 n LYS 270 N -4.34 0.11 -0.00 3.56 5.02 -1.26 -3.60 118.16 117.64 1s20 n LYS 270 Ca 0.29 0.07 0.09 0.00 -2.02 0.00 0.00 58.31 56.74 1s20 n LYS 270 Cb 1.27 -1.61 -0.11 0.00 -0.02 0.00 0.00 35.03 34.55 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 -1.79 0.63 -3.63 -0.35 4.77 0.41 -4.96 117.00 112.08 1s20 n LEU 271 Ca 0.06 -0.37 -0.11 0.00 -0.03 0.00 0.00 56.01 55.56 1s20 n LEU 271 Cb 0.38 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.40 1s20 n LEU 271 CO 0.30 0.16 0.47 -0.51 -1.33 0.00 0.00 177.39 176.48 1s20 s ILE 272 N -2.88 0.00 0.75 -0.08 2.07 -1.05 -5.14 121.20 114.87 1s20 s ILE 272 Ca 0.03 0.00 -0.14 0.00 -1.41 0.00 0.00 60.65 59.13 1s20 s ILE 272 Cb 0.13 -1.00 0.05 0.00 0.13 0.00 0.00 42.46 41.77 1s20 s ILE 272 CO 0.76 0.00 1.20 -1.81 -1.91 0.00 0.00 174.94 173.18 1s20 s ASP 273 N 0.69 4.04 0.21 4.50 1.01 -1.26 -4.32 116.67 121.53 1s20 s ASP 273 Ca -0.02 2.35 -0.11 0.00 0.71 0.00 0.00 52.55 55.48 1s20 s ASP 273 Cb -0.05 -2.59 0.16 0.00 1.01 0.00 0.00 42.92 41.45 1s20 s ASP 273 CO -0.06 -2.37 1.87 1.23 0.21 0.00 0.00 175.17 176.05 1s20 h GLY 274 N -0.48 1.02 0.90 0.21 0.00 -1.97 0.71 103.07 103.46 1s20 h GLY 274 Ca -0.47 -0.37 -0.00 0.00 0.00 0.00 0.00 47.33 46.49 1s20 h GLY 274 CO 0.49 0.35 0.02 -2.55 0.00 0.00 0.00 176.54 174.85 1s20 h PRO 275 N 0.95 0.05 -0.43 4.80 0.11 -2.00 -1.93 132.00 133.55 1s20 h PRO 275 Ca 0.27 -0.01 -0.05 0.00 0.11 0.00 0.00 66.00 66.32 1s20 h PRO 275 Cb -0.08 -0.01 -0.02 0.00 0.11 0.00 0.00 31.00 31.00 1s20 h PRO 275 CO -0.07 0.14 0.06 1.15 -0.21 0.00 0.00 178.00 179.07 1s20 h THR 276 N -0.05 1.21 -0.31 -1.15 2.02 -1.91 -1.08 112.91 111.64 1s20 h THR 276 Ca 0.01 -0.78 -0.00 0.00 0.77 0.00 0.00 66.41 66.40 1s20 h THR 276 Cb 0.10 0.81 -0.01 0.00 -1.74 0.00 0.00 68.15 67.31 1s20 h THR 276 CO -0.00 0.28 0.18 -0.09 0.37 0.00 0.00 175.52 176.26 1s20 h ARG 277 N 0.64 0.43 -0.09 6.66 1.12 -0.59 0.14 114.38 122.69 1s20 h ARG 277 Ca 0.14 -0.05 -0.14 0.00 -1.11 0.00 0.00 59.98 58.82 1s20 h ARG 277 Cb 0.30 -0.09 -0.01 0.00 -0.01 0.00 0.00 29.97 30.17 1s20 h ARG 277 CO 0.00 0.35 -0.58 -0.44 -3.11 0.00 0.00 179.97 176.20 1s20 h ASP 278 N 0.39 0.33 0.17 -3.80 3.32 -1.08 -2.13 116.42 113.62 1s20 h ASP 278 Ca 0.11 -0.18 -0.01 0.00 0.02 0.00 0.00 57.03 56.97 1s20 h ASP 278 Cb 0.04 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 39.50 1s20 h ASP 278 CO -0.02 0.83 -0.08 0.00 -1.72 0.00 0.00 179.24 178.25 1s20 h ALA 279 N 1.17 -0.23 -0.67 3.45 0.00 -0.96 -0.94 119.26 121.08 1s20 h ALA 279 Ca -0.00 -0.21 -0.05 0.00 0.00 0.00 0.00 54.91 54.65 1s20 h ALA 279 Cb 1.08 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.93 1s20 h ALA 279 CO 0.09 -0.39 0.22 0.87 0.00 0.00 0.00 179.25 180.05 1s20 h LYS 280 N -0.71 1.02 -0.15 0.00 1.57 -1.04 -1.70 116.57 115.56 1s20 h LYS 280 Ca -0.02 -0.20 -0.11 0.00 -1.87 0.00 0.00 60.65 58.45 1s20 h LYS 280 Cb 0.50 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.64 1s20 h LYS 280 CO 0.04 0.86 -0.38 -0.07 -0.57 0.00 0.00 179.45 179.33 1s20 h LEU 281 N 0.99 0.33 -0.67 2.94 3.38 -1.43 -2.85 115.31 117.99 1s20 h LEU 281 Ca 0.22 -0.13 -0.13 0.00 0.09 0.00 0.00 57.88 57.93 1s20 h LEU 281 Cb 0.26 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 1s20 h LEU 281 CO -0.01 0.68 -0.33 -0.61 0.09 0.00 0.00 178.44 178.26 1s20 h GLN 282 N 0.27 0.67 -0.50 1.13 5.75 -0.60 -3.06 115.11 118.78 1s20 h GLN 282 Ca 0.03 -0.31 -0.08 0.00 -0.15 0.00 0.00 58.65 58.14 1s20 h GLN 282 Cb 0.79 -0.01 -0.02 0.00 1.07 0.00 0.00 27.48 29.31 1s20 h GLN 282 CO 0.06 0.91 -0.00 -0.09 -2.65 0.00 0.00 178.83 177.06 1s20 h ARG 283 N 0.57 0.83 -0.28 1.69 2.43 -1.11 -1.60 114.38 116.91 1s20 h ARG 283 Ca 0.06 -0.23 0.00 0.00 -0.81 0.00 0.00 59.98 59.00 1s20 h ARG 283 Cb 0.84 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 30.29 1s20 h ARG 283 CO 0.07 0.84 0.00 -0.89 -1.51 0.00 0.00 179.97 178.48 1s20 n ILE 284 N -4.21 0.00 0.00 1.20 5.41 -1.10 -1.17 119.36 119.48 1s20 n ILE 284 Ca 0.03 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.78 1s20 n ILE 284 Cb 0.31 -0.17 0.00 0.00 -0.71 0.00 0.00 39.64 39.07 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 0.26 0.00 0.14 4.38 8.00 -0.60 -2.09 116.55 126.64 1s20 n ASP 286 Ca 0.00 0.00 0.01 0.00 0.71 0.00 0.00 54.79 55.51 1s20 n ASP 286 Cb 0.07 0.00 0.32 0.00 -0.02 0.00 0.00 41.12 41.49 1s20 n ASP 286 CO 0.00 0.00 0.00 0.22 -0.39 0.00 0.00 177.20 177.03 1s20 h TYR 287 N 0.00 0.13 0.02 1.24 5.03 -1.39 -2.07 116.97 119.94 1s20 h TYR 287 Ca 0.00 -0.03 -0.00 0.00 2.58 0.00 0.00 58.73 61.28 1s20 h TYR 287 Cb 0.00 -0.03 0.00 0.00 1.55 0.00 0.00 36.73 38.25 1s20 h TYR 287 CO 0.00 0.45 -0.01 0.28 -1.32 0.00 0.00 178.16 177.56 1s20 h VAL 288 N 0.10 0.88 0.00 1.81 2.07 -1.69 -3.37 116.25 116.05 1s20 h VAL 288 Ca 0.01 -1.60 -0.02 0.00 0.82 0.00 0.00 66.70 65.92 1s20 h VAL 288 Cb 0.66 1.63 -0.00 0.00 -1.52 0.00 0.00 31.29 32.06 1s20 h VAL 288 CO 0.05 0.29 -0.09 0.71 0.02 0.00 0.00 177.57 178.55 1s20 h THR 289 N -0.99 0.48 -0.06 2.57 1.35 -1.84 -2.74 112.91 111.69 1s20 h THR 289 Ca -0.00 -0.42 0.00 0.00 -0.55 0.00 0.00 66.41 65.44 1s20 h THR 289 Cb 0.50 1.28 0.00 0.00 -1.73 0.00 0.00 68.15 68.20 1s20 h THR 289 CO 0.01 0.08 0.00 -1.54 -0.25 0.00 0.00 175.52 173.82 1s20 n SER 290 N -3.59 1.09 -4.76 5.36 3.41 -0.78 -4.65 113.62 109.69 1s20 n SER 290 Ca -0.02 -1.47 -0.32 0.00 -0.26 0.00 0.00 58.87 56.79 1s20 n SER 290 Cb 0.21 -0.03 0.07 0.00 -0.26 0.00 0.00 64.21 64.19 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 -1.93 2.36 0.05 7.33 0.00 -1.03 -4.92 121.76 123.62 1s20 s ALA 291 Ca 0.36 0.48 -0.30 0.00 0.00 0.00 0.00 51.96 52.50 1s20 s ALA 291 Cb 0.19 -3.32 -0.09 0.00 0.00 0.00 0.00 23.12 19.90 1s20 s ALA 291 CO 0.30 -1.49 1.88 -1.21 0.00 0.00 0.00 175.76 175.24 1s20 s GLU 292 N -4.34 4.15 0.34 0.00 0.41 -1.26 -4.94 118.70 113.05 1s20 s GLU 292 Ca 0.66 2.55 -0.28 0.00 -0.41 0.00 0.00 54.97 57.49 1s20 s GLU 292 Cb -0.20 -3.96 -0.09 0.00 -1.78 0.00 0.00 34.13 28.10 1s20 s GLU 292 CO 0.46 -0.90 1.20 1.03 -0.49 0.00 0.00 175.26 176.56 1s20 s ARG 293 N 3.85 4.36 0.48 1.61 0.52 -1.26 -4.89 118.95 123.61 1s20 s ARG 293 Ca 0.84 1.96 0.31 0.00 -0.52 0.00 0.00 55.73 58.32 1s20 s ARG 293 Cb -0.43 -2.99 1.21 0.00 0.52 0.00 0.00 34.95 33.27 1s20 s ARG 293 CO 0.38 -0.10 1.90 0.00 0.02 0.00 0.00 175.30 177.51 1s20 h ALA 294 N 3.29 1.00 -2.80 2.13 0.00 -1.92 -3.38 119.26 117.58 1s20 h ALA 294 Ca -0.48 0.00 -0.40 0.00 0.00 0.00 0.00 54.91 54.03 1s20 h ALA 294 Cb 1.22 0.00 -0.39 0.00 0.00 0.00 0.00 17.79 18.63 1s20 h ALA 294 CO 0.65 0.00 -0.70 0.34 0.00 0.00 0.00 179.25 179.54 1s20 s ASP 295 N -5.43 1.98 0.63 0.00 3.68 -1.26 -5.01 116.67 111.26 1s20 s ASP 295 Ca 0.02 -0.48 0.28 0.00 2.13 0.00 0.00 52.55 54.50 1s20 s ASP 295 Cb 0.09 0.03 1.49 0.00 -1.45 0.00 0.00 42.92 43.08 1s20 s ASP 295 CO 0.52 -0.34 1.87 1.05 0.13 0.00 0.00 175.17 178.40 1s20 h GLU 296 N 8.37 0.00 -1.09 4.34 4.11 -2.00 -0.48 114.58 127.84 1s20 h GLU 296 Ca -0.16 0.00 -0.61 0.00 0.07 0.00 0.00 59.36 58.66 1s20 h GLU 296 Cb 1.14 0.00 -0.26 0.00 0.50 0.00 0.00 28.75 30.13 1s20 h GLU 296 CO 0.29 0.00 0.79 0.09 0.07 0.00 0.00 179.01 180.25 1s20 n ASN 297 N -3.22 7.31 -3.14 3.06 3.02 -1.26 -4.74 115.26 116.29 1s20 n ASN 297 Ca 0.03 -3.65 0.05 0.00 -0.03 0.00 0.00 54.58 50.97 1s20 n ASN 297 Cb 0.53 -0.98 -0.00 0.00 -0.61 0.00 0.00 39.78 38.72 1s20 n ASN 297 CO 0.00 0.00 0.00 -1.58 -2.62 0.00 0.00 177.26 173.06 1s20 s GLN 298 N -3.46 0.32 0.67 3.52 2.00 -0.19 -5.16 119.66 117.37 1s20 s GLN 298 Ca 0.59 0.29 -0.16 0.00 -2.00 0.00 0.00 55.36 54.08 1s20 s GLN 298 Cb 0.46 0.14 0.01 0.00 0.80 0.00 0.00 33.01 34.42 1s20 s GLN 298 CO -0.00 -0.59 1.16 0.00 -0.50 0.00 0.00 175.29 175.35 1s20 s ALA 299 N 2.87 2.36 0.13 1.58 0.00 -1.26 -4.65 121.76 122.78 1s20 s ALA 299 Ca 0.20 0.74 -0.30 0.00 0.00 0.00 0.00 51.96 52.60 1s20 s ALA 299 Cb -0.05 -3.39 -0.06 0.00 0.00 0.00 0.00 23.12 19.62 1s20 s ALA 299 CO -0.24 -1.46 1.03 0.42 0.00 0.00 0.00 175.76 175.52 1s20 s ILE 300 N -2.09 4.24 -0.04 0.00 1.01 -1.26 -5.04 121.20 118.01 1s20 s ILE 300 Ca 0.71 1.85 0.05 0.00 0.00 0.00 0.00 60.65 63.26 1s20 s ILE 300 Cb -0.25 -4.18 -0.01 0.00 0.01 0.00 0.00 42.46 38.03 1s20 s ILE 300 CO 0.41 0.28 -0.20 0.00 0.00 0.00 0.00 174.94 175.42 1s20 s ARG 301 N -0.01 1.99 0.49 2.79 1.70 -1.26 -4.83 118.95 119.81 1s20 s ARG 301 Ca 0.49 -0.73 -0.19 0.00 -0.47 0.00 0.00 55.73 54.83 1s20 s ARG 301 Cb -0.26 -1.75 -0.08 0.00 -0.57 0.00 0.00 34.95 32.28 1s20 s ARG 301 CO 0.32 0.34 1.00 -0.51 -1.08 0.00 0.00 175.30 175.37 1s20 s LEU 302 N -0.16 3.78 0.16 -1.89 1.43 -1.26 -4.97 118.68 115.78 1s20 s LEU 302 Ca -0.01 1.77 -0.32 0.00 -1.03 0.00 0.00 54.13 54.55 1s20 s LEU 302 Cb -0.11 -4.54 -0.12 0.00 0.03 0.00 0.00 46.19 41.45 1s20 s LEU 302 CO 0.02 -0.67 1.74 -0.81 0.23 0.00 0.00 176.35 176.86 1s20 n PRO 303 N -1.13 2.65 0.00 1.29 -0.04 -1.26 -2.52 135.00 133.98 1s20 n PRO 303 Ca 0.08 0.96 0.00 0.00 -0.04 0.00 0.00 63.50 64.50 1s20 n PRO 303 Cb 0.53 -2.81 0.00 0.00 -0.04 0.00 0.00 33.50 31.18 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 3.98 2.56 0.27 0.55 0.00 -1.26 -4.54 105.19 106.76 1s20 n GLY 304 Ca 0.17 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.32 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 -1.66 -0.82 115.15 118.14 1s20 h HIS 305 Ca 0.00 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.20 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 0.06 -0.05 1.05 0.86 0.00 0.00 177.93 179.85 1s20 h GLU 306 N 0.00 0.00 0.00 2.45 9.09 -1.90 -0.76 114.58 123.46 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 0.15 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.25 1s20 h GLU 306 CO 0.01 0.05 0.00 1.19 0.05 0.00 0.00 179.01 180.31 1s20 n PHE 307 N -3.30 0.00 -0.11 2.06 3.72 -0.31 -0.34 117.46 119.17 1s20 n PHE 307 Ca -0.01 0.00 -0.24 0.00 -0.05 0.00 0.00 57.45 57.15 1s20 n PHE 307 Cb 0.22 -0.50 -0.11 0.00 -0.94 0.00 0.00 39.48 38.15 1s20 n PHE 307 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 176.76 179.12 1s20 n THR 308 N -1.50 1.55 -0.09 4.37 -1.04 -0.30 -3.91 114.28 113.37 1s20 n THR 308 Ca 0.04 -0.41 -0.12 0.00 -2.04 0.00 0.00 64.05 61.52 1s20 n THR 308 Cb 0.18 -1.76 -0.04 0.00 -1.82 0.00 0.00 70.33 66.88 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 -0.59 1.29 -0.86 12.58 1.35 -1.38 -2.28 112.91 123.04 1s20 h THR 309 Ca -0.57 -1.15 -0.02 0.00 -0.55 0.00 0.00 66.41 64.12 1s20 h THR 309 Cb 1.69 1.50 -0.04 0.00 -1.73 0.00 0.00 68.15 69.58 1s20 h THR 309 CO -0.23 0.36 0.46 -0.07 -0.25 0.00 0.00 175.52 175.79 1s20 h LEU 310 N 0.26 1.08 0.01 3.87 3.38 -0.92 -1.04 115.31 121.95 1s20 h LEU 310 Ca 0.06 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1s20 h LEU 310 Cb 0.58 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 1s20 h LEU 310 CO 0.03 0.88 -0.03 0.25 0.09 0.00 0.00 178.44 179.66 1s20 h LEU 311 N 1.21 -0.09 -0.58 1.67 5.85 -1.65 0.12 115.31 121.85 1s20 h LEU 311 Ca 0.30 0.01 0.08 0.00 0.84 0.00 0.00 57.88 59.11 1s20 h LEU 311 Cb 0.05 0.04 -0.06 0.00 0.37 0.00 0.00 40.66 41.05 1s20 h LEU 311 CO -0.05 -0.05 0.24 0.00 -0.34 0.00 0.00 178.44 178.24 1s20 h ALA 312 N 0.93 0.74 -0.01 1.25 0.00 -0.90 -1.08 119.26 120.20 1s20 h ALA 312 Ca 0.01 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 1s20 h ALA 312 Cb 0.07 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 1s20 h ALA 312 CO -0.02 -0.16 0.00 1.49 0.00 0.00 0.00 179.25 180.56 1s20 h GLU 313 N 0.44 0.01 -0.41 0.00 4.57 -0.81 -2.28 114.58 116.10 1s20 h GLU 313 Ca 0.28 -0.00 0.12 0.00 -1.18 0.00 0.00 59.36 58.58 1s20 h GLU 313 Cb 0.30 -0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 28.87 1s20 h GLU 313 CO -0.26 0.13 0.29 -0.91 -1.18 0.00 0.00 179.01 177.08 1s20 h ASN 314 N -0.11 0.00 1.23 1.04 -0.26 -0.20 0.21 115.58 117.48 1s20 h ASN 314 Ca 0.00 0.00 -0.03 0.00 -0.56 0.00 0.00 56.30 55.71 1s20 h ASN 314 Cb 0.12 0.00 -0.00 0.00 -1.06 0.00 0.00 38.32 37.38 1s20 h ASN 314 CO -0.00 0.00 -0.13 0.03 -1.06 0.00 0.00 177.43 176.27 1s20 h ARG 315 N 0.00 0.00 0.07 0.81 2.47 -0.65 0.06 114.38 117.15 1s20 h ARG 315 Ca 0.19 0.00 -0.37 0.00 -1.26 0.00 0.00 59.98 58.54 1s20 h ARG 315 Cb 0.78 0.00 -0.04 0.00 -1.65 0.00 0.00 29.97 29.06 1s20 h ARG 315 CO -0.00 0.13 -2.14 0.54 0.56 0.00 0.00 179.97 179.06 1s20 n ARG 316 N -3.22 0.71 0.00 0.04 1.74 0.58 -4.59 116.66 111.92 1s20 n ARG 316 Ca 0.01 0.24 0.07 0.00 -0.77 0.00 0.00 57.85 57.40 1s20 n ARG 316 Cb 0.44 -1.64 0.00 0.00 -1.02 0.00 0.00 32.46 30.24 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 -3.48 1.48 0.00 0.55 3.02 -0.31 -5.10 115.26 111.43 1s20 n ASN 317 Ca -0.37 -1.24 0.00 0.00 -0.03 0.00 0.00 54.58 52.94 1s20 n ASN 317 Cb 1.01 0.44 0.00 0.00 -0.61 0.00 0.00 39.78 40.62 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 1.02 -0.36 3.83 7.41 0.00 0.01 -4.94 105.19 112.16 1s20 n GLY 318 Ca 0.06 -1.82 -0.37 0.00 0.00 0.00 0.00 46.02 43.89 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 -1.25 5.31 -0.21 -0.61 1.01 -0.08 -4.53 121.20 120.84 1s20 s ILE 319 Ca 0.00 0.47 -0.05 0.00 0.00 0.00 0.00 60.65 61.07 1s20 s ILE 319 Cb 0.00 -3.54 -0.02 0.00 0.01 0.00 0.00 42.46 38.90 1s20 s ILE 319 CO 0.00 0.56 0.01 -0.89 0.00 0.00 0.00 174.94 174.62 1s20 s THR 320 N -0.72 3.97 0.06 2.92 2.01 -1.26 -0.72 115.64 121.90 1s20 s THR 320 Ca 0.18 -0.30 0.08 0.00 0.31 0.00 0.00 61.69 61.95 1s20 s THR 320 Cb -0.14 -2.81 -0.03 0.00 0.01 0.00 0.00 72.50 69.53 1s20 s THR 320 CO 0.07 0.42 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.53 1s20 s VAL 321 N 1.12 2.71 0.29 3.82 1.01 -1.26 -5.02 120.40 123.06 1s20 s VAL 321 Ca 0.03 -1.29 -0.30 0.00 0.00 0.00 0.00 61.98 60.41 1s20 s VAL 321 Cb -0.14 -2.15 -0.11 0.00 0.00 0.00 0.00 36.38 33.97 1s20 s VAL 321 CO 0.02 0.29 1.59 -0.62 0.00 0.00 0.00 175.10 176.37 1s20 s ASP 322 N -1.58 6.39 0.23 3.32 2.15 -1.26 -4.75 116.67 121.17 1s20 s ASP 322 Ca 0.15 2.93 -0.07 0.00 0.43 0.00 0.00 52.55 55.99 1s20 s ASP 322 Cb -0.10 -2.63 0.31 0.00 -0.30 0.00 0.00 42.92 40.19 1s20 s ASP 322 CO 0.06 -0.90 1.83 0.44 -0.17 0.00 0.00 175.17 176.42 1s20 h ASP 323 N 4.91 0.70 0.41 -0.34 3.45 -1.98 -0.42 116.42 123.14 1s20 h ASP 323 Ca -0.47 0.03 -0.10 0.00 0.43 0.00 0.00 57.03 56.92 1s20 h ASP 323 Cb 1.22 -0.12 -0.01 0.00 -0.56 0.00 0.00 39.33 39.86 1s20 h ASP 323 CO 0.80 0.44 -0.44 0.77 -1.57 0.00 0.00 179.24 179.24 1s20 h SER 324 N 0.83 0.05 -0.08 6.45 4.64 -1.99 -1.67 113.55 121.78 1s20 h SER 324 Ca 0.35 -0.02 -0.08 0.00 -0.47 0.00 0.00 61.79 61.57 1s20 h SER 324 Cb 0.21 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.29 1s20 h SER 324 CO -0.19 0.48 -0.25 0.58 -0.87 0.00 0.00 176.83 176.58 1s20 h VAL 325 N 0.04 1.42 0.00 0.95 2.07 -1.74 -2.54 116.25 116.45 1s20 h VAL 325 Ca -0.00 -1.63 -0.01 0.00 0.82 0.00 0.00 66.70 65.88 1s20 h VAL 325 Cb 0.80 2.27 -0.00 0.00 -1.52 0.00 0.00 31.29 32.83 1s20 h VAL 325 CO 0.06 0.46 -0.07 -0.25 0.02 0.00 0.00 177.57 177.80 1s20 h TRP 326 N -0.18 0.00 0.01 1.57 2.91 -0.98 -2.28 115.95 117.00 1s20 h TRP 326 Ca -0.01 0.00 -0.26 0.00 1.13 0.00 0.00 58.89 59.75 1s20 h TRP 326 Cb 0.88 0.00 0.02 0.00 -0.51 0.00 0.00 29.16 29.55 1s20 h TRP 326 CO 0.12 0.07 -1.04 0.00 -1.03 0.00 0.00 178.44 176.56 1s20 h ALA 327 N 1.93 0.17 -0.42 2.65 0.00 -1.17 -1.35 119.26 121.09 1s20 h ALA 327 Ca -0.00 -0.71 -0.06 0.00 0.00 0.00 0.00 54.91 54.14 1s20 h ALA 327 Cb 0.24 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 1s20 h ALA 327 CO 0.01 0.72 -0.00 0.87 0.00 0.00 0.00 179.25 180.85 1s20 h LYS 328 N 0.34 0.67 -0.07 0.00 1.57 -0.99 -1.61 116.57 116.48 1s20 h LYS 328 Ca -0.12 -0.17 -0.22 0.00 -1.87 0.00 0.00 60.65 58.27 1s20 h LYS 328 Cb 1.69 -0.09 0.01 0.00 0.08 0.00 0.00 32.23 33.92 1s20 h LYS 328 CO 0.20 0.69 -0.85 0.82 -0.57 0.00 0.00 179.45 179.74 1s20 h ILE 329 N 0.63 1.33 0.00 1.86 2.04 -1.44 -2.37 117.51 119.56 1s20 h ILE 329 Ca 0.13 -2.17 -0.01 0.00 1.00 0.00 0.00 64.86 63.81 1s20 h ILE 329 Cb 0.40 2.18 -0.00 0.00 -0.74 0.00 0.00 36.82 38.67 1s20 h ILE 329 CO 0.02 0.67 -0.03 1.56 0.00 0.00 0.00 178.15 180.37 1s20 h GLN 330 N 0.38 0.00 0.03 2.37 1.08 -0.92 -2.18 115.11 115.87 1s20 h GLN 330 Ca -0.07 0.00 -0.27 0.00 -1.45 0.00 0.00 58.65 56.87 1s20 h GLN 330 Cb 1.47 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 28.87 1s20 h GLN 330 CO 0.16 0.03 -1.43 0.00 -0.95 0.00 0.00 178.83 176.64 1s20 h ALA 331 N 1.97 0.51 0.00 3.87 0.00 -1.13 -3.16 119.26 121.33 1s20 h ALA 331 Ca -0.00 -1.20 -0.02 0.00 0.00 0.00 0.00 54.91 53.70 1s20 h ALA 331 Cb 0.38 0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.39 1s20 h ALA 331 CO 0.00 1.37 -0.09 -0.07 0.00 0.00 0.00 179.25 180.47 1s20 h LEU 332 N 0.02 0.00 0.21 0.00 3.38 -0.86 -2.09 115.31 115.97 1s20 h LEU 332 Ca -0.18 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.47 1s20 h LEU 332 Cb 1.93 0.00 0.03 0.00 0.09 0.00 0.00 40.66 42.71 1s20 h LEU 332 CO 0.11 0.09 -1.40 -0.07 0.09 0.00 0.00 178.44 177.26 1s20 h LEU 333 N 0.00 0.76 -1.20 1.67 3.38 -1.59 -3.48 115.31 114.85 1s20 h LEU 333 Ca -0.00 -0.80 0.00 0.00 0.09 0.00 0.00 57.88 57.17 1s20 h LEU 333 Cb 0.18 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.68 1s20 h LEU 333 CO 0.01 1.62 0.00 1.21 0.09 0.00 0.00 178.44 181.37