#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 0.07 0.47 -0.18 -7.23 -0.43 -4.95 120.40 108.16 1s20 s VAL 3 Ca 0.00 -0.62 -0.06 0.00 -1.81 0.00 0.00 61.98 59.50 1s20 s VAL 3 Cb 0.00 -0.88 -0.04 0.00 0.56 0.00 0.00 36.38 36.02 1s20 s VAL 3 CO 0.00 -0.34 0.78 0.42 -0.31 0.00 0.00 175.10 175.65 1s20 s THR 4 N -2.32 4.90 0.10 5.32 -4.23 -1.26 -3.33 115.64 114.82 1s20 s THR 4 Ca -0.07 0.23 -0.29 0.00 -1.18 0.00 0.00 61.69 60.38 1s20 s THR 4 Cb -0.02 -3.85 -0.12 0.00 1.34 0.00 0.00 72.50 69.85 1s20 s THR 4 CO -0.02 -0.81 1.64 0.15 -0.54 0.00 0.00 174.62 175.04 1s20 h PHE 5 N 0.35 -0.75 -0.81 3.99 3.57 -1.97 -0.69 116.94 120.63 1s20 h PHE 5 Ca -0.47 0.00 0.07 0.00 3.53 0.00 0.00 57.97 61.10 1s20 h PHE 5 Cb 1.20 0.29 -0.05 0.00 2.79 0.00 0.00 35.95 40.18 1s20 h PHE 5 CO 0.58 -0.41 0.53 0.93 -2.23 0.00 0.00 178.31 177.72 1s20 h GLU 6 N -0.59 0.85 -0.38 1.11 4.39 -1.99 0.53 114.58 118.50 1s20 h GLU 6 Ca -0.01 -0.05 -0.06 0.00 0.34 0.00 0.00 59.36 59.58 1s20 h GLU 6 Cb 0.55 -0.19 -0.02 0.00 -0.10 0.00 0.00 28.75 28.98 1s20 h GLU 6 CO -0.06 0.56 -0.02 0.37 -1.16 0.00 0.00 179.01 178.71 1s20 h GLN 7 N 0.88 0.62 -0.01 2.33 4.15 -1.81 -1.02 115.11 120.24 1s20 h GLN 7 Ca 0.35 -0.15 -0.01 0.00 0.77 0.00 0.00 58.65 59.61 1s20 h GLN 7 Cb 0.24 -0.08 0.00 0.00 0.21 0.00 0.00 27.48 27.85 1s20 h GLN 7 CO -0.13 0.65 -0.04 1.25 -1.93 0.00 0.00 178.83 178.64 1s20 h LEU 8 N 0.58 0.05 -1.14 -2.39 5.85 0.45 -3.00 115.31 115.71 1s20 h LEU 8 Ca 0.12 -0.64 0.08 0.00 0.84 0.00 0.00 57.88 58.28 1s20 h LEU 8 Cb 0.40 -0.01 -0.06 0.00 0.37 0.00 0.00 40.66 41.36 1s20 h LEU 8 CO 0.02 0.68 0.59 0.50 -0.34 0.00 0.00 178.44 179.89 1s20 h LYS 9 N -0.58 0.97 -0.27 1.25 3.64 -0.86 -2.13 116.57 118.59 1s20 h LYS 9 Ca -0.00 -0.06 -0.00 0.00 -1.27 0.00 0.00 60.65 59.32 1s20 h LYS 9 Cb 0.68 -0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 32.27 1s20 h LYS 9 CO 0.01 0.64 0.16 0.00 -2.27 0.00 0.00 179.45 177.99 1s20 h ALA 10 N 1.52 0.34 -0.32 5.00 0.00 -1.20 0.13 119.26 124.73 1s20 h ALA 10 Ca 0.41 -0.04 0.05 0.00 0.00 0.00 0.00 54.91 55.32 1s20 h ALA 10 Cb 0.28 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.92 1s20 h ALA 10 CO -0.16 -0.16 0.07 0.00 0.00 0.00 0.00 179.25 178.99 1s20 h ALA 11 N 1.06 0.34 -0.76 0.00 0.00 -1.25 -0.21 119.26 118.45 1s20 h ALA 11 Ca 0.10 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 1s20 h ALA 11 Cb 0.01 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.84 1s20 h ALA 11 CO -0.02 -0.34 0.42 0.74 0.00 0.00 0.00 179.25 180.05 1s20 h PHE 12 N 0.18 1.05 0.32 0.00 0.05 -1.18 -2.91 116.94 114.45 1s20 h PHE 12 Ca 0.15 -0.02 -0.01 0.00 3.82 0.00 0.00 57.97 61.91 1s20 h PHE 12 Cb 0.16 -0.33 -0.01 0.00 2.00 0.00 0.00 35.95 37.77 1s20 h PHE 12 CO -0.18 0.73 -0.24 -0.97 -0.18 0.00 0.00 178.31 177.48 1s20 h ASN 13 N 1.06 -0.62 -0.79 2.17 -1.24 0.09 -1.18 115.58 115.07 1s20 h ASN 13 Ca 0.27 0.05 0.12 0.00 0.71 0.00 0.00 56.30 57.44 1s20 h ASN 13 Cb 0.03 0.20 -0.08 0.00 0.73 0.00 0.00 38.32 39.20 1s20 h ASN 13 CO -0.04 -0.37 0.40 0.03 -1.29 0.00 0.00 177.43 176.16 1s20 h ARG 14 N -0.56 0.62 0.23 6.67 3.08 -1.00 -1.21 114.38 122.22 1s20 h ARG 14 Ca -0.02 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 59.98 1s20 h ARG 14 Cb 0.49 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.40 1s20 h ARG 14 CO -0.00 0.41 -0.11 0.28 -1.07 0.00 0.00 179.97 179.48 1s20 h VAL 15 N 0.64 0.84 -0.80 2.04 2.07 -1.35 -2.22 116.25 117.47 1s20 h VAL 15 Ca 0.41 -0.53 0.17 0.00 0.82 0.00 0.00 66.70 67.56 1s20 h VAL 15 Cb 0.49 1.14 -0.11 0.00 -1.52 0.00 0.00 31.29 31.29 1s20 h VAL 15 CO -0.31 0.12 0.30 -0.07 0.02 0.00 0.00 177.57 177.63 1s20 h LEU 16 N -0.59 0.23 -0.76 2.57 3.38 -0.78 -0.26 115.31 119.10 1s20 h LEU 16 Ca -0.03 0.13 -0.07 0.00 0.09 0.00 0.00 57.88 58.00 1s20 h LEU 16 Cb 0.43 0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.28 1s20 h LEU 16 CO 0.05 0.04 0.15 0.40 0.09 0.00 0.00 178.44 179.17 1s20 h ILE 17 N 0.39 1.26 0.00 1.22 1.08 -1.16 -2.37 117.51 117.94 1s20 h ILE 17 Ca 0.46 -0.98 0.00 0.00 -0.39 0.00 0.00 64.86 63.96 1s20 h ILE 17 Cb 0.78 0.58 0.00 0.00 -3.07 0.00 0.00 36.82 35.11 1s20 h ILE 17 CO -0.47 0.37 0.00 -1.54 -0.69 0.00 0.00 178.15 175.82 1s20 n SER 18 N -4.23 0.00 -0.34 1.72 3.41 -0.13 -1.86 113.62 112.18 1s20 n SER 18 Ca 0.05 -0.40 0.05 0.00 -0.26 0.00 0.00 58.87 58.31 1s20 n SER 18 Cb 0.27 -0.08 0.03 0.00 -0.26 0.00 0.00 64.21 64.17 1s20 n SER 18 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1s20 n ARG 19 N -1.08 0.67 0.00 4.33 3.00 -0.94 -5.00 116.66 117.65 1s20 n ARG 19 Ca 0.12 -0.97 0.00 0.00 -0.01 0.00 0.00 57.85 56.99 1s20 n ARG 19 Cb 0.08 -1.16 0.00 0.00 0.00 0.00 0.00 32.46 31.39 1s20 n ARG 19 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1s20 n GLY 20 N 0.59 0.83 3.70 -0.13 0.00 -0.78 -5.04 105.19 104.37 1s20 n GLY 20 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 1s20 n GLY 20 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1s20 s VAL 21 N -2.00 4.61 0.59 1.61 1.01 -0.94 -4.93 120.40 120.35 1s20 s VAL 21 Ca 0.00 1.89 -0.20 0.00 0.00 0.00 0.00 61.98 63.67 1s20 s VAL 21 Cb 0.00 -4.21 -0.03 0.00 0.00 0.00 0.00 36.38 32.14 1s20 s VAL 21 CO 0.00 0.06 1.32 1.51 0.00 0.00 0.00 175.10 177.99 1s20 s ASP 22 N 1.14 5.02 0.26 3.32 1.47 -1.26 -4.32 116.67 122.30 1s20 s ASP 22 Ca 0.52 2.67 -0.06 0.00 1.18 0.00 0.00 52.55 56.86 1s20 s ASP 22 Cb -0.22 -2.63 0.48 0.00 -0.34 0.00 0.00 42.92 40.22 1s20 s ASP 22 CO 0.23 -1.73 1.60 0.28 0.68 0.00 0.00 175.17 176.23 1s20 h SER 23 N 1.07 -0.57 0.40 2.11 0.02 -1.98 0.18 113.55 114.78 1s20 h SER 23 Ca -0.51 0.24 -0.01 0.00 -0.84 0.00 0.00 61.79 60.67 1s20 h SER 23 Cb 1.31 0.46 -0.01 0.00 0.14 0.00 0.00 62.40 64.30 1s20 h SER 23 CO 0.55 -0.26 -0.26 -0.08 -1.14 0.00 0.00 176.83 175.64 1s20 h GLU 24 N 0.04 -0.62 -0.47 3.45 4.81 -2.00 -0.32 114.58 119.48 1s20 h GLU 24 Ca 0.46 0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.72 1s20 h GLU 24 Cb 0.80 0.14 -0.02 0.00 0.63 0.00 0.00 28.75 30.30 1s20 h GLU 24 CO -0.82 -0.41 0.26 1.15 -0.73 0.00 0.00 179.01 178.46 1s20 h THR 25 N -0.64 1.16 -0.85 0.32 2.02 -1.66 -2.24 112.91 111.01 1s20 h THR 25 Ca -0.04 -0.39 0.06 0.00 0.77 0.00 0.00 66.41 66.81 1s20 h THR 25 Cb 0.54 0.57 -0.06 0.00 -1.74 0.00 0.00 68.15 67.46 1s20 h THR 25 CO 0.03 0.17 0.53 0.00 0.37 0.00 0.00 175.52 176.61 1s20 h ALA 26 N 1.11 1.17 0.24 6.16 0.00 -0.53 0.18 119.26 127.59 1s20 h ALA 26 Ca 0.17 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 1s20 h ALA 26 Cb 0.03 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.59 1s20 h ALA 26 CO -0.03 0.28 -0.12 0.22 0.00 0.00 0.00 179.25 179.60 1s20 h ASP 27 N 0.97 -0.28 -0.38 0.00 3.58 -0.83 0.52 116.42 119.99 1s20 h ASP 27 Ca 0.37 -0.16 0.02 0.00 0.42 0.00 0.00 57.03 57.68 1s20 h ASP 27 Cb 0.16 0.07 -0.03 0.00 1.72 0.00 0.00 39.33 41.25 1s20 h ASP 27 CO -0.17 0.01 0.21 0.00 -2.88 0.00 0.00 179.24 176.41 1s20 h ALA 28 N 0.11 0.48 -0.61 -0.78 0.00 -1.09 0.31 119.26 117.68 1s20 h ALA 28 Ca -0.03 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 1s20 h ALA 28 Cb 0.42 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 1s20 h ALA 28 CO 0.06 -0.14 0.30 0.00 0.00 0.00 0.00 179.25 179.47 1s20 h ALA 30 N 1.13 1.29 0.00 0.00 0.00 -0.38 -2.15 119.26 119.16 1s20 h ALA 30 Ca 0.21 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1s20 h ALA 30 Cb 0.09 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.71 1s20 h ALA 30 CO -0.03 0.49 0.00 -1.91 0.00 0.00 0.00 179.25 177.80 1s20 n GLU 31 N -4.27 0.00 0.00 0.00 4.07 0.11 -1.43 120.64 119.11 1s20 n GLU 31 Ca 0.02 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.12 1s20 n GLU 31 Cb 0.24 -0.97 0.00 0.00 -0.06 0.00 0.00 31.44 30.65 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 0.27 0.00 0.05 4.31 3.72 -0.81 -1.29 117.46 123.71 1s20 n PHE 33 Ca 0.00 0.00 -0.20 0.00 -0.05 0.00 0.00 57.45 57.20 1s20 n PHE 33 Cb 0.00 0.00 -0.14 0.00 -0.94 0.00 0.00 39.48 38.40 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 -0.98 4.37 0.00 -1.52 -3.05 119.26 118.02 1s20 h ALA 34 Ca 0.00 -0.68 0.03 0.00 0.00 0.00 0.00 54.91 54.25 1s20 h ALA 34 Cb 0.00 0.09 -0.05 0.00 0.00 0.00 0.00 17.79 17.83 1s20 h ALA 34 CO 0.00 0.41 0.64 0.00 0.00 0.00 0.00 179.25 180.30 1s20 h ARG 35 N -0.25 1.23 -0.53 0.00 2.47 -1.44 -0.87 114.38 114.99 1s20 h ARG 35 Ca -0.14 -0.07 -0.07 0.00 -1.26 0.00 0.00 59.98 58.44 1s20 h ARG 35 Cb 1.62 -0.28 -0.02 0.00 -1.65 0.00 0.00 29.97 29.64 1s20 h ARG 35 CO 0.16 0.81 0.05 1.15 0.56 0.00 0.00 179.97 182.70 1s20 h THR 36 N 1.27 1.24 -0.11 2.04 2.02 -1.83 -1.15 112.91 116.40 1s20 h THR 36 Ca 0.38 -0.97 -0.12 0.00 0.77 0.00 0.00 66.41 66.47 1s20 h THR 36 Cb -0.06 0.79 -0.01 0.00 -1.74 0.00 0.00 68.15 67.13 1s20 h THR 36 CO -0.11 0.35 -0.48 0.74 0.37 0.00 0.00 175.52 176.39 1s20 h THR 37 N 0.81 1.34 0.00 3.16 2.02 -1.27 -2.31 112.91 116.65 1s20 h THR 37 Ca 0.16 -1.70 -0.11 0.00 0.77 0.00 0.00 66.41 65.54 1s20 h THR 37 Cb 0.41 1.79 -0.02 0.00 -1.74 0.00 0.00 68.15 68.60 1s20 h THR 37 CO 0.01 0.51 -0.52 -0.08 0.37 0.00 0.00 175.52 175.81 1s20 h GLU 38 N 0.22 0.00 0.00 6.66 4.81 -0.70 -2.88 114.58 122.69 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 0.93 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.31 1s20 h GLU 38 CO 0.08 0.52 0.00 0.43 -0.73 0.00 0.00 179.01 179.30 1s20 n SER 39 N -3.53 0.66 0.00 1.04 7.64 -0.48 -4.32 113.62 114.62 1s20 n SER 39 Ca -0.00 0.62 0.00 0.00 1.01 0.00 0.00 58.87 60.50 1s20 n SER 39 Cb 0.61 -0.77 0.00 0.00 -1.01 0.00 0.00 64.21 63.04 1s20 n SER 39 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1s20 n GLY 40 N 0.55 0.64 3.36 0.23 0.00 -1.09 -4.10 105.19 104.78 1s20 n GLY 40 Ca 0.04 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.60 1s20 n GLY 40 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1s20 s VAL 41 N -2.00 5.72 0.07 1.61 1.01 -0.89 -4.83 120.40 121.08 1s20 s VAL 41 Ca 0.00 -2.96 -0.13 0.00 0.00 0.00 0.00 61.98 58.89 1s20 s VAL 41 Cb 0.00 -4.61 -0.27 0.00 0.00 0.00 0.00 36.38 31.50 1s20 s VAL 41 CO 0.00 -1.21 1.14 1.88 0.00 0.00 0.00 175.10 176.91 1s20 h TYR 42 N 7.16 0.97 -1.02 5.22 -1.99 -1.85 -2.35 116.97 123.10 1s20 h TYR 42 Ca 0.17 -0.59 0.25 0.00 2.00 0.00 0.00 58.73 60.57 1s20 h TYR 42 Cb 0.93 -0.08 -0.09 0.00 2.00 0.00 0.00 36.73 39.48 1s20 h TYR 42 CO 0.90 1.43 0.66 0.66 -0.00 0.00 0.00 178.16 181.81 1s20 h SER 43 N 0.29 0.46 -0.14 3.88 4.64 -1.96 0.23 113.55 120.96 1s20 h SER 43 Ca -0.17 0.08 -0.00 0.00 -0.47 0.00 0.00 61.79 61.23 1s20 h SER 43 Cb 1.85 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.95 1s20 h SER 43 CO 0.23 0.11 -0.01 1.41 -0.87 0.00 0.00 176.83 177.70 1s20 n HIS 44 N -4.62 0.51 0.00 4.77 8.25 -1.24 -3.80 115.22 119.08 1s20 n HIS 44 Ca 0.25 -0.95 0.00 0.00 -0.26 0.00 0.00 57.72 56.75 1s20 n HIS 44 Cb 0.84 -0.24 0.00 0.00 1.12 0.00 0.00 29.99 31.71 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 -0.95 1.20 0.24 -1.41 0.00 0.77 -4.29 105.19 100.75 1s20 n GLY 45 Ca 0.19 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.28 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 1.00 0.00 1.61 3.04 -1.73 -2.47 116.25 117.70 1s20 h VAL 46 Ca 0.00 -0.51 0.00 0.00 -1.01 0.00 0.00 66.70 65.18 1s20 h VAL 46 Cb 0.00 1.28 0.00 0.00 -2.01 0.00 0.00 31.29 30.56 1s20 h VAL 46 CO 0.00 0.14 0.00 0.78 -1.01 0.00 0.00 177.57 177.48 1s20 h ASN 47 N 0.00 0.00 0.22 3.17 2.35 -1.68 -3.14 115.58 116.50 1s20 h ASN 47 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1s20 h ASN 47 Cb 0.27 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.64 1s20 h ASN 47 CO 0.02 0.00 -1.07 -1.14 -1.65 0.00 0.00 177.43 173.59 1s20 n ARG 48 N -2.94 0.18 -0.22 0.81 3.00 -0.94 -4.41 116.66 112.14 1s20 n ARG 48 Ca 0.03 -0.03 0.02 0.00 -0.00 0.00 0.00 57.85 57.87 1s20 n ARG 48 Cb 0.41 -1.54 0.14 0.00 0.00 0.00 0.00 32.46 31.47 1s20 n ARG 48 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.63 177.98 1s20 h PHE 49 N 0.00 0.44 -0.09 -0.14 3.57 -1.48 0.34 116.94 119.59 1s20 h PHE 49 Ca 0.00 0.03 0.03 0.00 3.53 0.00 0.00 57.97 61.56 1s20 h PHE 49 Cb 0.64 -0.10 -0.03 0.00 2.79 0.00 0.00 35.95 39.26 1s20 h PHE 49 CO 0.00 0.09 -0.08 -1.35 -2.23 0.00 0.00 178.31 174.74 1s20 h PRO 50 N 0.43 -0.09 -0.41 6.41 0.11 -1.78 0.64 132.00 137.31 1s20 h PRO 50 Ca 0.35 0.01 0.02 0.00 0.11 0.00 0.00 66.00 66.48 1s20 h PRO 50 Cb 0.46 0.02 -0.03 0.00 0.11 0.00 0.00 31.00 31.57 1s20 h PRO 50 CO -0.34 -0.06 0.25 -0.09 -0.21 0.00 0.00 178.00 177.55 1s20 h ARG 51 N -0.10 0.49 -0.68 1.05 9.65 -1.72 -2.02 114.38 121.06 1s20 h ARG 51 Ca 0.06 -0.03 0.09 0.00 -1.10 0.00 0.00 59.98 59.00 1s20 h ARG 51 Cb 0.19 -0.11 -0.07 0.00 -1.39 0.00 0.00 29.97 28.59 1s20 h ARG 51 CO -0.15 0.32 0.33 0.35 2.80 0.00 0.00 179.97 183.62 1s20 h PHE 52 N 0.50 0.59 -0.64 2.20 3.57 -0.41 -1.89 116.94 120.86 1s20 h PHE 52 Ca 0.16 0.03 -0.07 0.00 3.53 0.00 0.00 57.97 61.62 1s20 h PHE 52 Cb -0.00 -0.16 -0.03 0.00 2.79 0.00 0.00 35.95 38.55 1s20 h PHE 52 CO -0.07 0.22 0.15 0.82 -2.23 0.00 0.00 178.31 177.20 1s20 h ILE 53 N 0.57 1.26 -0.42 1.41 1.08 -0.41 -2.21 117.51 118.79 1s20 h ILE 53 Ca 0.33 -0.95 -0.01 0.00 -0.39 0.00 0.00 64.86 63.84 1s20 h ILE 53 Cb 0.34 0.64 -0.02 0.00 -3.07 0.00 0.00 36.82 34.71 1s20 h ILE 53 CO -0.26 0.36 0.24 -0.61 -0.69 0.00 0.00 178.15 177.19 1s20 h GLN 54 N 0.96 0.57 -0.12 2.37 5.75 -0.71 0.36 115.11 124.29 1s20 h GLN 54 Ca 0.20 -0.06 -0.03 0.00 -0.15 0.00 0.00 58.65 58.61 1s20 h GLN 54 Cb 0.38 -0.12 -0.01 0.00 1.07 0.00 0.00 27.48 28.80 1s20 h GLN 54 CO 0.00 0.45 -0.06 1.96 -2.65 0.00 0.00 178.83 178.53 1s20 h GLN 55 N 0.54 0.18 -0.28 1.69 4.20 -1.24 0.02 115.11 120.22 1s20 h GLN 55 Ca 0.15 -0.03 -0.08 0.00 0.06 0.00 0.00 58.65 58.74 1s20 h GLN 55 Cb 0.03 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 27.77 1s20 h GLN 55 CO -0.03 0.26 -0.16 1.25 -0.67 0.00 0.00 178.83 179.49 1s20 h LEU 56 N 0.17 0.62 -1.59 1.46 5.85 -0.67 0.44 115.31 121.59 1s20 h LEU 56 Ca 0.04 -0.42 -0.05 0.00 0.84 0.00 0.00 57.88 58.29 1s20 h LEU 56 Cb 0.23 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.09 1s20 h LEU 56 CO 0.01 0.90 -0.22 -0.33 -0.34 0.00 0.00 178.44 178.46 1s20 h GLU 57 N 0.34 0.00 -0.00 1.25 5.08 -0.05 -1.53 114.58 119.66 1s20 h GLU 57 Ca 0.06 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 1s20 h GLU 57 Cb 0.68 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.93 1s20 h GLU 57 CO 0.05 0.22 -0.05 0.09 -1.00 0.00 0.00 179.01 178.32 1s20 n ASN 58 N -4.01 0.38 0.00 1.42 3.02 -0.09 -4.90 115.26 111.07 1s20 n ASN 58 Ca -0.02 -0.72 0.00 0.00 -0.03 0.00 0.00 54.58 53.81 1s20 n ASN 58 Cb 0.30 -0.08 0.00 0.00 -0.61 0.00 0.00 39.78 39.39 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 1.19 0.71 0.28 7.41 0.00 -0.57 -4.91 105.19 109.30 1s20 n GLY 59 Ca 0.17 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.19 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 0.54 -3.64 1.61 3.32 -1.10 -3.42 116.42 113.73 1s20 h ASP 60 Ca 0.00 -0.10 -0.68 0.00 0.02 0.00 0.00 57.03 56.27 1s20 h ASP 60 Cb 0.00 -0.14 -0.18 0.00 0.22 0.00 0.00 39.33 39.22 1s20 h ASP 60 CO 0.00 0.59 -0.69 -0.63 -1.72 0.00 0.00 179.24 176.79 1s20 s ILE 61 N -5.03 3.74 -0.45 0.35 1.01 -1.22 -4.86 121.20 114.74 1s20 s ILE 61 Ca -0.08 -0.51 0.03 0.00 0.00 0.00 0.00 60.65 60.10 1s20 s ILE 61 Cb 0.16 -2.54 0.12 0.00 0.01 0.00 0.00 42.46 40.20 1s20 s ILE 61 CO 0.77 0.57 0.20 -0.63 0.00 0.00 0.00 174.94 175.85 1s20 s ILE 62 N -0.84 2.15 0.26 2.92 1.01 -0.12 -4.81 121.20 121.77 1s20 s ILE 62 Ca 0.13 -2.81 -0.02 0.00 0.00 0.00 0.00 60.65 57.95 1s20 s ILE 62 Cb -0.11 -2.52 0.28 0.00 0.01 0.00 0.00 42.46 40.11 1s20 s ILE 62 CO 0.02 -0.77 1.66 -0.65 0.00 0.00 0.00 174.94 175.21 1s20 h PRO 63 N 6.91 0.21 -0.20 2.79 0.11 -1.95 -0.25 132.00 139.62 1s20 h PRO 63 Ca -0.06 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 66.02 1s20 h PRO 63 Cb 0.94 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 31.99 1s20 h PRO 63 CO 0.59 0.14 0.04 -0.44 -0.21 0.00 0.00 178.00 178.12 1s20 h ASP 64 N 0.22 0.26 -3.51 -2.05 3.45 -1.94 -3.44 116.42 109.40 1s20 h ASP 64 Ca 0.48 -0.02 -0.57 0.00 0.43 0.00 0.00 57.03 57.34 1s20 h ASP 64 Cb 0.89 -0.07 0.17 0.00 -0.56 0.00 0.00 39.33 39.76 1s20 h ASP 64 CO -0.60 0.28 0.01 0.00 -1.57 0.00 0.00 179.24 177.36 1s20 n ALA 65 N -2.50 -0.18 -2.94 3.45 0.00 -0.10 -5.03 120.51 113.21 1s20 n ALA 65 Ca -0.00 -0.05 -0.09 0.00 0.00 0.00 0.00 53.44 53.30 1s20 n ALA 65 Cb 0.15 -2.05 -0.11 0.00 0.00 0.00 0.00 19.45 17.44 1s20 n ALA 65 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1s20 s GLN 66 N -2.76 0.36 0.50 0.00 -1.52 -1.26 -4.74 119.66 110.23 1s20 s GLN 66 Ca 0.75 -0.62 -0.22 0.00 -1.95 0.00 0.00 55.36 53.31 1s20 s GLN 66 Cb -0.40 0.13 -0.08 0.00 -0.22 0.00 0.00 33.01 32.44 1s20 s GLN 66 CO 0.49 -0.07 1.13 -2.30 -0.25 0.00 0.00 175.29 174.29 1s20 n PRO 67 N 1.47 1.43 -3.71 2.91 -0.02 -1.26 -4.63 135.00 131.18 1s20 n PRO 67 Ca -0.23 0.52 -0.17 0.00 -2.02 0.00 0.00 63.50 61.61 1s20 n PRO 67 Cb 0.56 -2.26 -0.16 0.00 -0.02 0.00 0.00 33.50 31.61 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 -2.44 -0.01 0.13 -0.52 2.20 -0.27 -4.98 119.74 113.86 1s20 s LYS 68 Ca 0.68 0.37 -0.30 0.00 -0.36 0.00 0.00 55.97 56.35 1s20 s LYS 68 Cb -0.48 -0.32 -0.07 0.00 -1.51 0.00 0.00 37.83 35.46 1s20 s LYS 68 CO 0.53 -0.25 1.20 0.50 -0.36 0.00 0.00 175.35 176.97 1s20 s ARG 69 N 1.69 4.47 -0.25 4.03 3.52 -1.26 -0.16 118.95 130.99 1s20 s ARG 69 Ca -0.02 1.83 -0.13 0.00 -0.13 0.00 0.00 55.73 57.28 1s20 s ARG 69 Cb -0.12 -3.29 -0.15 0.00 -1.56 0.00 0.00 34.95 29.83 1s20 s ARG 69 CO -0.04 -0.16 -0.17 -0.89 -0.81 0.00 0.00 175.30 173.23 1s20 n ILE 70 N 3.14 1.54 -3.72 4.11 2.08 0.22 -4.91 119.36 121.82 1s20 n ILE 70 Ca 0.06 -0.35 -0.12 0.00 0.56 0.00 0.00 62.75 62.90 1s20 n ILE 70 Cb 0.45 -1.84 -0.07 0.00 -0.75 0.00 0.00 39.64 37.43 1s20 n ILE 70 CO 0.00 0.00 0.00 0.28 0.56 0.00 0.00 176.55 177.39 1s20 s THR 71 N -2.48 0.07 -0.07 1.39 -1.32 -1.06 -4.99 115.64 107.18 1s20 s THR 71 Ca -0.35 -0.55 0.00 0.00 -1.21 0.00 0.00 61.69 59.58 1s20 s THR 71 Cb 0.12 -0.90 0.02 0.00 -1.51 0.00 0.00 72.50 70.23 1s20 s THR 71 CO 0.54 -0.31 -0.05 -0.55 -2.21 0.00 0.00 174.62 172.04 1s20 s SER 72 N -1.92 1.53 -0.03 8.08 0.15 -1.26 -0.63 113.70 119.61 1s20 s SER 72 Ca -0.06 -0.19 0.11 0.00 0.70 0.00 0.00 55.95 56.51 1s20 s SER 72 Cb -0.01 -0.60 0.33 0.00 -1.71 0.00 0.00 66.02 64.02 1s20 s SER 72 CO -0.02 -0.09 1.27 0.18 1.20 0.00 0.00 173.24 175.79 1s20 n LEU 73 N 4.47 3.04 0.00 3.45 4.77 -0.52 -5.03 117.00 127.18 1s20 n LEU 73 Ca -0.17 -2.18 0.00 0.00 -0.03 0.00 0.00 56.01 53.63 1s20 n LEU 73 Cb 0.51 -0.27 0.00 0.00 -2.33 0.00 0.00 43.42 41.32 1s20 n LEU 73 CO 0.19 0.71 0.00 0.61 -1.33 0.00 0.00 177.39 177.57 1s20 n GLY 74 N 0.28 1.63 0.03 -0.72 0.00 -1.26 -4.64 105.19 100.52 1s20 n GLY 74 Ca 0.13 -0.77 0.13 0.00 0.00 0.00 0.00 46.02 45.51 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 0.02 2.89 -2.71 4.61 0.00 -1.26 -4.80 120.51 119.25 1s20 n ALA 75 Ca 0.00 -0.24 -0.25 0.00 0.00 0.00 0.00 53.44 52.95 1s20 n ALA 75 Cb 0.00 -1.31 -0.16 0.00 0.00 0.00 0.00 19.45 17.99 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 -2.85 1.36 -0.01 0.00 2.07 -1.26 -1.19 121.20 119.32 1s20 s ILE 76 Ca 0.17 -0.71 0.02 0.00 -1.41 0.00 0.00 60.65 58.73 1s20 s ILE 76 Cb 0.19 -1.15 -0.00 0.00 0.13 0.00 0.00 42.46 41.63 1s20 s ILE 76 CO 0.57 0.39 -0.07 -1.61 -1.91 0.00 0.00 174.94 172.31 1s20 s GLU 77 N -0.17 0.64 -0.21 3.50 2.02 -0.59 -1.44 118.70 122.45 1s20 s GLU 77 Ca 0.01 -0.25 -0.12 0.00 0.02 0.00 0.00 54.97 54.64 1s20 s GLU 77 Cb -0.09 -0.62 -0.05 0.00 0.10 0.00 0.00 34.13 33.47 1s20 s GLU 77 CO 0.01 0.13 0.20 -1.14 0.02 0.00 0.00 175.26 174.48 1s20 s GLN 78 N -0.04 4.15 0.10 1.61 0.74 0.19 -1.77 119.66 124.64 1s20 s GLN 78 Ca 0.01 -0.13 0.08 0.00 0.05 0.00 0.00 55.36 55.37 1s20 s GLN 78 Cb -0.04 -3.48 -0.03 0.00 1.10 0.00 0.00 33.01 30.55 1s20 s GLN 78 CO -0.00 0.15 -0.21 -1.58 -0.55 0.00 0.00 175.29 173.10 1s20 s TRP 79 N 0.79 1.79 -0.30 1.67 0.52 0.12 0.70 118.94 124.23 1s20 s TRP 79 Ca 0.11 -0.42 -0.04 0.00 0.02 0.00 0.00 56.10 55.77 1s20 s TRP 79 Cb -0.13 -0.98 0.03 0.00 -1.15 0.00 0.00 33.47 31.24 1s20 s TRP 79 CO 0.03 0.20 0.03 0.34 0.02 0.00 0.00 176.95 177.57 1s20 s ASP 80 N -1.87 4.92 0.35 2.95 3.68 0.78 -1.22 116.67 126.25 1s20 s ASP 80 Ca 0.06 -0.99 0.27 0.00 2.13 0.00 0.00 52.55 54.02 1s20 s ASP 80 Cb -0.10 -1.79 1.13 0.00 -1.45 0.00 0.00 42.92 40.71 1s20 s ASP 80 CO 0.04 -0.23 1.80 0.00 0.13 0.00 0.00 175.17 176.91 1s20 h ALA 81 N 8.12 1.00 -5.57 3.66 0.00 -1.20 -0.70 119.26 124.58 1s20 h ALA 81 Ca -0.27 0.00 -0.42 0.00 0.00 0.00 0.00 54.91 54.22 1s20 h ALA 81 Cb 1.10 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.83 1s20 h ALA 81 CO 0.58 0.00 -0.63 1.04 0.00 0.00 0.00 179.25 180.24 1s20 n GLN 82 N -2.49 -4.22 -2.68 0.00 6.02 -1.22 -1.69 117.38 111.10 1s20 n GLN 82 Ca 0.01 0.58 -0.20 0.00 -0.01 0.00 0.00 57.00 57.38 1s20 n GLN 82 Cb 0.24 -5.36 0.01 0.00 1.02 0.00 0.00 30.24 26.15 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 -4.07 -3.14 -2.12 -1.09 5.12 0.11 -4.78 116.66 106.69 1s20 n ARG 83 Ca -0.01 0.89 -0.27 0.00 -1.93 0.00 0.00 57.85 56.52 1s20 n ARG 83 Cb 0.55 -5.54 0.11 0.00 -1.16 0.00 0.00 32.46 26.42 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 -2.45 4.25 0.02 0.55 1.04 -0.68 -0.94 113.70 115.49 1s20 s SER 84 Ca 0.15 0.37 -0.35 0.00 0.48 0.00 0.00 55.95 56.60 1s20 s SER 84 Cb -0.07 -0.80 -0.14 0.00 0.10 0.00 0.00 66.02 65.12 1s20 s SER 84 CO 0.18 -1.99 1.66 -0.38 0.98 0.00 0.00 173.24 173.69 1s20 n ILE 85 N -3.21 0.23 0.04 -1.02 5.41 -1.26 -3.96 119.36 115.59 1s20 n ILE 85 Ca 0.11 -0.04 -0.12 0.00 1.00 0.00 0.00 62.75 63.70 1s20 n ILE 85 Cb 0.60 -1.49 -0.06 0.00 -0.71 0.00 0.00 39.64 37.98 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 6.92 -0.04 1.23 7.39 0.00 -1.74 -2.12 103.07 114.72 1s20 h GLY 86 Ca -0.47 0.05 -0.14 0.00 0.00 0.00 0.00 47.33 46.76 1s20 h GLY 86 CO 0.90 -0.05 -0.34 3.45 0.00 0.00 0.00 176.54 180.50 1s20 h ASN 87 N -0.07 0.90 -0.38 0.19 7.08 -1.75 -0.83 115.58 120.72 1s20 h ASN 87 Ca 0.02 -0.39 -0.06 0.00 -3.08 0.00 0.00 56.30 52.79 1s20 h ASN 87 Cb 0.09 -0.25 -0.01 0.00 -2.08 0.00 0.00 38.32 36.07 1s20 h ASN 87 CO -0.04 1.15 -0.01 0.25 -2.08 0.00 0.00 177.43 176.69 1s20 h LEU 88 N 0.71 0.67 -0.33 6.14 5.85 -1.93 -1.78 115.31 124.65 1s20 h LEU 88 Ca 0.07 -0.31 -0.19 0.00 0.84 0.00 0.00 57.88 58.28 1s20 h LEU 88 Cb 0.91 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 41.76 1s20 h LEU 88 CO 0.08 0.82 -0.64 0.74 -0.34 0.00 0.00 178.44 179.10 1s20 h THR 89 N 0.50 1.30 -0.64 1.05 2.02 -1.37 -2.89 112.91 112.88 1s20 h THR 89 Ca 0.11 -1.88 0.00 0.00 0.77 0.00 0.00 66.41 65.41 1s20 h THR 89 Cb 0.48 1.83 -0.03 0.00 -1.74 0.00 0.00 68.15 68.70 1s20 h THR 89 CO 0.02 0.59 0.41 0.00 0.37 0.00 0.00 175.52 176.92 1s20 h ALA 90 N 0.76 0.82 -0.64 6.16 0.00 -1.05 -2.43 119.26 122.88 1s20 h ALA 90 Ca -0.01 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 1s20 h ALA 90 Cb 1.24 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.73 1s20 h ALA 90 CO 0.13 0.26 0.39 -0.22 0.00 0.00 0.00 179.25 179.81 1s20 h LYS 91 N 0.87 0.87 -5.23 0.00 3.64 -1.30 -3.42 116.57 112.00 1s20 h LYS 91 Ca 0.23 -0.08 -0.41 0.00 -1.27 0.00 0.00 60.65 59.13 1s20 h LYS 91 Cb -0.07 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 31.55 1s20 h LYS 91 CO -0.05 0.62 1.35 1.63 -2.27 0.00 0.00 179.45 180.73 1s20 n LYS 92 N -4.59 1.55 0.00 1.90 5.02 -0.92 -4.70 118.16 116.42 1s20 n LYS 92 Ca 0.05 -2.31 0.00 0.00 -2.02 0.00 0.00 58.31 54.03 1s20 n LYS 92 Cb 0.05 -3.53 0.00 0.00 -0.02 0.00 0.00 35.03 31.53 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 12.79 0.00 -0.02 4.39 10.43 -1.26 -4.71 116.55 138.17 1s20 n ASP 95 Ca 0.46 0.00 -0.05 0.00 2.57 0.00 0.00 54.79 57.77 1s20 n ASP 95 Cb 0.45 0.00 0.16 0.00 1.84 0.00 0.00 41.12 43.57 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 0.59 -0.59 -1.24 9.65 -1.95 -1.96 114.38 118.88 1s20 h ARG 96 Ca 0.00 -0.23 -0.04 0.00 -1.10 0.00 0.00 59.98 58.62 1s20 h ARG 96 Cb 0.00 -0.03 -0.03 0.00 -1.39 0.00 0.00 29.97 28.52 1s20 h ARG 96 CO 0.00 0.78 0.23 0.00 2.80 0.00 0.00 179.97 183.78 1s20 h ALA 97 N 1.22 0.77 -0.46 2.80 0.00 -1.89 -1.79 119.26 119.91 1s20 h ALA 97 Ca 0.07 -0.17 0.01 0.00 0.00 0.00 0.00 54.91 54.82 1s20 h ALA 97 Cb 0.69 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 1s20 h ALA 97 CO 0.05 0.39 0.30 0.82 0.00 0.00 0.00 179.25 180.81 1s20 h ILE 98 N 0.82 1.12 -0.85 0.00 2.04 -1.81 0.21 117.51 119.02 1s20 h ILE 98 Ca 0.20 -0.21 0.08 0.00 1.00 0.00 0.00 64.86 65.92 1s20 h ILE 98 Cb 0.21 0.44 -0.07 0.00 -0.74 0.00 0.00 36.82 36.66 1s20 h ILE 98 CO -0.02 0.11 0.51 -0.33 0.00 0.00 0.00 178.15 178.43 1s20 h GLU 99 N 0.62 0.88 -0.24 2.37 5.08 -1.04 -0.38 114.58 121.88 1s20 h GLU 99 Ca 0.17 -0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 58.44 1s20 h GLU 99 Cb -0.07 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 28.97 1s20 h GLU 99 CO -0.04 0.58 0.02 -0.07 -1.00 0.00 0.00 179.01 178.50 1s20 h LEU 100 N 0.91 0.39 -2.17 1.33 3.38 -0.67 -2.84 115.31 115.62 1s20 h LEU 100 Ca 0.39 -0.28 -0.00 0.00 0.09 0.00 0.00 57.88 58.07 1s20 h LEU 100 Cb 0.25 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 40.90 1s20 h LEU 100 CO -0.20 0.58 -0.01 0.00 0.09 0.00 0.00 178.44 178.89 1s20 h ALA 101 N 0.83 1.77 0.00 1.53 0.00 -0.24 -0.54 119.26 122.60 1s20 h ALA 101 Ca 0.07 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.89 1s20 h ALA 101 Cb 0.37 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1s20 h ALA 101 CO 0.01 0.01 -0.36 0.00 0.00 0.00 0.00 179.25 178.91 1s20 h ALA 102 N 1.99 1.34 -0.01 0.00 0.00 -0.84 0.24 119.26 121.97 1s20 h ALA 102 Ca -0.00 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.58 1s20 h ALA 102 Cb 0.02 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1s20 h ALA 102 CO 0.00 0.45 -0.07 -0.25 0.00 0.00 0.00 179.25 179.39 1s20 n ASP 103 N -4.01 1.63 0.00 0.00 8.00 -0.64 -4.63 116.55 116.91 1s20 n ASP 103 Ca -0.02 -1.32 0.00 0.00 0.71 0.00 0.00 54.79 54.17 1s20 n ASP 103 Cb 0.41 0.16 0.00 0.00 -0.02 0.00 0.00 41.12 41.67 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 0.29 0.00 0.00 1.24 8.25 -0.31 -5.02 115.22 119.68 1s20 n HIS 104 Ca 0.05 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.51 1s20 n HIS 104 Cb 0.24 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.35 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 0.19 2.50 3.05 -1.41 0.00 0.82 -4.91 105.19 105.44 1s20 n GLY 105 Ca 0.00 -0.13 -0.13 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.10 -0.03 0.00 -0.61 2.07 -1.25 -0.45 121.20 119.83 1s20 s ILE 106 Ca 0.00 0.09 0.06 0.00 -1.41 0.00 0.00 60.65 59.40 1s20 s ILE 106 Cb 0.00 -0.33 -0.02 0.00 0.13 0.00 0.00 42.46 42.24 1s20 s ILE 106 CO 0.00 0.04 -0.20 -0.83 -1.91 0.00 0.00 174.94 172.04 1s20 s GLY 107 N 0.79 1.01 -0.03 1.50 0.00 0.62 -4.27 107.32 106.93 1s20 s GLY 107 Ca -0.06 -0.91 0.01 0.00 0.00 0.00 0.00 44.72 43.76 1s20 s GLY 107 CO -0.05 -0.80 -0.02 -2.27 0.00 0.00 0.00 173.10 169.97 1s20 s LEU 108 N -0.70 1.30 -0.13 0.66 0.20 -0.33 -0.95 118.68 118.73 1s20 s LEU 108 Ca 0.07 -0.06 0.02 0.00 0.69 0.00 0.00 54.13 54.85 1s20 s LEU 108 Cb -0.08 -0.29 0.01 0.00 -0.43 0.00 0.00 46.19 45.40 1s20 s LEU 108 CO 0.00 -0.07 -0.19 -0.69 -0.29 0.00 0.00 176.35 175.12 1s20 s VAL 109 N 0.87 1.80 -0.18 1.68 1.01 0.76 -1.54 120.40 124.79 1s20 s VAL 109 Ca -0.10 -0.82 -0.07 0.00 0.00 0.00 0.00 61.98 61.00 1s20 s VAL 109 Cb -0.13 -1.62 -0.04 0.00 0.00 0.00 0.00 36.38 34.60 1s20 s VAL 109 CO -0.01 0.50 0.04 0.00 0.00 0.00 0.00 175.10 175.63 1s20 s ALA 110 N 0.96 3.31 -0.13 5.51 0.00 -0.73 -1.01 121.76 129.67 1s20 s ALA 110 Ca -0.05 -0.78 0.00 0.00 0.00 0.00 0.00 51.96 51.13 1s20 s ALA 110 Cb -0.15 -1.85 0.02 0.00 0.00 0.00 0.00 23.12 21.14 1s20 s ALA 110 CO -0.03 0.15 -0.12 -1.17 0.00 0.00 0.00 175.76 174.59 1s20 s LEU 111 N 0.43 1.49 0.36 0.00 2.96 -0.49 0.14 118.68 123.56 1s20 s LEU 111 Ca 0.02 -0.41 0.07 0.00 -0.22 0.00 0.00 54.13 53.59 1s20 s LEU 111 Cb -0.13 -1.05 -0.02 0.00 0.50 0.00 0.00 46.19 45.49 1s20 s LEU 111 CO 0.01 -0.08 0.35 0.00 -1.32 0.00 0.00 176.35 175.31 1s20 s ARG 112 N 1.57 2.74 -1.40 1.98 1.70 -0.36 -1.74 118.95 123.44 1s20 s ARG 112 Ca 0.05 -1.31 -0.05 0.00 -0.47 0.00 0.00 55.73 53.95 1s20 s ARG 112 Cb -0.13 -2.51 0.02 0.00 -0.57 0.00 0.00 34.95 31.76 1s20 s ARG 112 CO -0.10 -0.00 0.38 0.09 -1.08 0.00 0.00 175.30 174.59 1s20 n ASN 113 N -1.48 -4.91 -4.96 -2.89 3.02 -1.19 -0.85 115.26 102.00 1s20 n ASN 113 Ca 0.00 -0.19 -0.22 0.00 -0.03 0.00 0.00 54.58 54.14 1s20 n ASN 113 Cb 0.60 -4.04 0.03 0.00 -0.61 0.00 0.00 39.78 35.76 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 -2.97 3.77 0.34 5.41 0.00 -0.30 0.08 121.76 128.09 1s20 s ALA 114 Ca 0.24 -1.18 0.08 0.00 0.00 0.00 0.00 51.96 51.10 1s20 s ALA 114 Cb -0.12 -2.16 -0.05 0.00 0.00 0.00 0.00 23.12 20.80 1s20 s ALA 114 CO 0.30 -0.66 0.10 -0.80 0.00 0.00 0.00 175.76 174.69 1s20 s ASN 115 N -4.36 4.53 -0.23 0.00 0.01 -1.25 0.05 114.94 113.69 1s20 s ASN 115 Ca 0.54 -0.84 -0.41 0.00 -0.71 0.00 0.00 52.86 51.45 1s20 s ASN 115 Cb -0.10 -0.67 -0.17 0.00 0.41 0.00 0.00 41.25 40.71 1s20 s ASN 115 CO 0.39 -0.28 1.58 1.57 -1.51 0.00 0.00 177.10 178.85 1s20 n HIS 116 N -1.09 1.77 0.00 2.20 -0.00 -1.26 -4.25 115.22 112.59 1s20 n HIS 116 Ca -0.03 0.72 0.00 0.00 0.46 0.00 0.00 57.72 58.87 1s20 n HIS 116 Cb 0.62 -2.36 0.00 0.00 -0.12 0.00 0.00 29.99 28.13 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 4.21 0.00 0.00 1.57 2.14 -1.26 -3.72 117.44 120.38 1s20 n TRP 117 Ca 0.25 0.00 0.00 0.00 2.07 0.00 0.00 57.50 59.82 1s20 n TRP 117 Cb 0.10 0.00 0.00 0.00 -0.81 0.00 0.00 31.31 30.60 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 0.25 -2.67 0.63 -1.26 -4.29 116.66 109.32 1s20 n ARG 119 Ca 0.00 0.00 0.10 0.00 -0.92 0.00 0.00 57.85 57.03 1s20 n ARG 119 Cb 0.00 0.00 0.67 0.00 0.45 0.00 0.00 32.46 33.58 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 0.00 0.00 1.76 5.14 0.00 -1.98 -2.29 103.07 105.70 1s20 h GLY 120 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 47.33 47.34 1s20 h GLY 120 CO 0.00 0.00 0.15 -1.33 0.00 0.00 0.00 176.54 175.36 1s20 h GLY 121 N 0.67 0.31 -0.00 4.60 0.00 -1.96 -2.83 103.07 103.86 1s20 h GLY 121 Ca -0.00 -0.11 0.05 0.00 0.00 0.00 0.00 47.33 47.27 1s20 h GLY 121 CO 0.02 0.11 -0.37 1.76 0.00 0.00 0.00 176.54 178.06 1s20 h SER 122 N 0.29 -1.18 -0.30 0.19 0.02 -1.82 0.23 113.55 110.99 1s20 h SER 122 Ca 0.09 0.17 -0.02 0.00 -0.84 0.00 0.00 61.79 61.18 1s20 h SER 122 Cb -0.01 0.50 -0.02 0.00 0.14 0.00 0.00 62.40 63.01 1s20 h SER 122 CO -0.02 -0.38 0.12 1.88 -1.14 0.00 0.00 176.83 177.29 1s20 h TYR 123 N -0.40 0.52 -0.39 3.45 0.05 -1.69 0.28 116.97 118.79 1s20 h TYR 123 Ca 0.11 -0.02 -0.15 0.00 0.05 0.00 0.00 58.73 58.71 1s20 h TYR 123 Cb 0.58 -0.16 -0.01 0.00 1.01 0.00 0.00 36.73 38.15 1s20 h TYR 123 CO -0.48 0.43 -0.34 0.78 -1.05 0.00 0.00 178.16 177.50 1s20 h GLY 124 N 0.71 0.99 0.78 3.88 0.00 -1.25 -2.87 103.07 105.29 1s20 h GLY 124 Ca 0.13 -0.99 -0.03 0.00 0.00 0.00 0.00 47.33 46.44 1s20 h GLY 124 CO -0.01 0.90 -0.01 -0.25 0.00 0.00 0.00 176.54 177.17 1s20 h TRP 125 N 0.73 0.29 -0.30 5.60 2.91 0.38 -2.63 115.95 122.93 1s20 h TRP 125 Ca 0.07 -0.05 0.06 0.00 1.13 0.00 0.00 58.89 60.09 1s20 h TRP 125 Cb 0.93 -0.07 -0.01 0.00 -0.51 0.00 0.00 29.16 29.49 1s20 h TRP 125 CO 0.06 0.50 0.21 -0.56 -1.03 0.00 0.00 178.44 177.62 1s20 h GLN 126 N -0.01 0.14 0.03 2.65 3.07 -0.50 -0.39 115.11 120.09 1s20 h GLN 126 Ca 0.04 -0.01 -0.00 0.00 0.09 0.00 0.00 58.65 58.77 1s20 h GLN 126 Cb 0.39 -0.03 0.00 0.00 0.08 0.00 0.00 27.48 27.92 1s20 h GLN 126 CO 0.01 0.09 -0.01 0.00 0.09 0.00 0.00 178.83 179.01 1s20 h ALA 127 N 1.84 -0.04 0.00 0.06 0.00 -1.34 -3.09 119.26 116.70 1s20 h ALA 127 Ca 0.13 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 1s20 h ALA 127 Cb 0.35 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 1s20 h ALA 127 CO -0.02 -0.27 -0.01 0.00 0.00 0.00 0.00 179.25 178.95 1s20 h ALA 128 N 0.40 1.86 0.00 0.00 0.00 -1.01 -0.72 119.26 119.79 1s20 h ALA 128 Ca -0.00 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 1s20 h ALA 128 Cb 0.51 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 1s20 h ALA 128 CO 0.01 0.02 -0.20 0.93 0.00 0.00 0.00 179.25 180.00 1s20 h GLU 129 N 0.00 0.00 -0.66 0.00 5.08 -1.01 -2.33 114.58 115.66 1s20 h GLU 129 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1s20 h GLU 129 Cb 0.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.28 1s20 h GLU 129 CO 0.00 0.20 0.00 1.63 -1.00 0.00 0.00 179.01 179.85 1s20 n LYS 130 N -3.96 3.86 -0.80 2.33 5.02 -0.34 -4.92 118.16 119.35 1s20 n LYS 130 Ca -0.02 -2.90 0.00 0.00 -2.02 0.00 0.00 58.31 53.37 1s20 n LYS 130 Cb 0.29 -1.94 0.00 0.00 -0.02 0.00 0.00 35.03 33.36 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 1.12 0.74 3.97 0.72 0.00 -0.88 -5.05 105.19 105.82 1s20 n GLY 131 Ca 0.26 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.07 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 -2.77 3.45 -0.07 1.61 1.51 -0.85 -4.16 117.35 116.08 1s20 s TYR 132 Ca 0.00 -0.00 -0.23 0.00 -1.01 0.00 0.00 57.07 55.82 1s20 s TYR 132 Cb 0.00 -1.58 -0.04 0.00 -0.11 0.00 0.00 41.96 40.23 1s20 s TYR 132 CO 0.00 0.43 0.71 0.42 -1.11 0.00 0.00 175.55 175.99 1s20 s ILE 133 N -1.99 5.04 -0.09 2.71 1.01 0.14 -2.93 121.20 125.09 1s20 s ILE 133 Ca 0.34 1.45 0.01 0.00 0.00 0.00 0.00 60.65 62.45 1s20 s ILE 133 Cb -0.09 -4.04 -0.02 0.00 0.01 0.00 0.00 42.46 38.31 1s20 s ILE 133 CO 0.29 0.24 -0.12 -0.83 0.00 0.00 0.00 174.94 174.53 1s20 s GLY 134 N 0.82 1.58 -0.11 6.18 0.00 -0.38 -1.36 107.32 114.05 1s20 s GLY 134 Ca 0.37 -0.92 -0.05 0.00 0.00 0.00 0.00 44.72 44.13 1s20 s GLY 134 CO 0.18 -0.49 0.24 -0.42 0.00 0.00 0.00 173.10 172.60 1s20 s ILE 135 N -0.28 -0.26 0.11 0.90 1.01 -0.57 -0.09 121.20 122.03 1s20 s ILE 135 Ca 0.03 0.25 -0.13 0.00 0.00 0.00 0.00 60.65 60.79 1s20 s ILE 135 Cb -0.13 -0.39 0.02 0.00 0.01 0.00 0.00 42.46 41.97 1s20 s ILE 135 CO 0.03 0.10 0.31 0.00 0.00 0.00 0.00 174.94 175.38 1s20 s TRP 137 N -3.83 -0.23 0.20 0.00 -2.14 -0.74 -0.22 118.94 111.98 1s20 s TRP 137 Ca 0.04 -0.09 -0.12 0.00 2.66 0.00 0.00 56.10 58.59 1s20 s TRP 137 Cb 0.03 0.64 0.00 0.00 -3.10 0.00 0.00 33.47 31.04 1s20 s TRP 137 CO -0.11 -0.94 0.41 -0.08 -2.66 0.00 0.00 176.95 173.57 1s20 s THR 138 N -3.54 0.03 0.49 0.66 -1.32 -1.24 -0.05 115.64 110.66 1s20 s THR 138 Ca 0.09 -1.28 0.07 0.00 -1.21 0.00 0.00 61.69 59.36 1s20 s THR 138 Cb -0.03 -1.94 0.07 0.00 -1.51 0.00 0.00 72.50 69.08 1s20 s THR 138 CO 0.00 -0.13 0.55 -0.46 -2.21 0.00 0.00 174.62 172.37 1s20 n ASN 139 N -0.31 2.09 -3.24 8.08 0.23 -0.57 -4.02 115.26 117.52 1s20 n ASN 139 Ca -0.05 -2.44 -0.07 0.00 -0.53 0.00 0.00 54.58 51.48 1s20 n ASN 139 Cb 0.62 -0.23 0.01 0.00 -2.08 0.00 0.00 39.78 38.11 1s20 n ASN 139 CO 0.00 0.00 0.00 -0.94 -0.93 0.00 0.00 177.26 175.39 1s20 s SER 140 N -3.95 -0.06 0.86 0.53 1.04 -1.26 -4.71 113.70 106.15 1s20 s SER 140 Ca 0.42 -0.92 -0.10 0.00 0.48 0.00 0.00 55.95 55.82 1s20 s SER 140 Cb -0.03 0.75 0.11 0.00 0.10 0.00 0.00 66.02 66.95 1s20 s SER 140 CO 0.26 -1.47 1.12 0.27 0.98 0.00 0.00 173.24 174.40 1s20 s ILE 141 N -2.69 2.61 -0.06 -1.02 -4.36 -1.26 -4.50 121.20 109.93 1s20 s ILE 141 Ca 0.15 0.20 -0.30 0.00 -0.26 0.00 0.00 60.65 60.44 1s20 s ILE 141 Cb -0.05 -2.43 -0.06 0.00 1.25 0.00 0.00 42.46 41.17 1s20 s ILE 141 CO 0.09 -0.26 1.74 0.00 0.24 0.00 0.00 174.94 176.75 1s20 s ALA 142 N -2.76 3.54 -0.24 2.27 0.00 -1.26 -4.37 121.76 118.94 1s20 s ALA 142 Ca 0.64 0.97 0.21 0.00 0.00 0.00 0.00 51.96 53.78 1s20 s ALA 142 Cb -0.20 -3.79 0.49 0.00 0.00 0.00 0.00 23.12 19.62 1s20 s ALA 142 CO 0.57 -1.54 1.13 1.33 0.00 0.00 0.00 175.76 177.26 1s20 n VAL 143 N 5.67 1.35 -5.00 0.00 0.24 -0.97 -4.86 118.33 114.75 1s20 n VAL 143 Ca 0.18 -2.92 -0.29 0.00 -2.04 0.00 0.00 64.34 59.27 1s20 n VAL 143 Cb 0.43 0.87 -0.17 0.00 -1.47 0.00 0.00 33.84 33.50 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 -3.36 2.57 0.75 7.34 0.04 -1.26 -4.76 135.00 136.32 1s20 s PRO 145 Ca 0.32 -0.72 -0.14 0.00 0.04 0.00 0.00 61.00 60.49 1s20 s PRO 145 Cb 0.34 -1.99 0.05 0.00 0.04 0.00 0.00 34.50 32.95 1s20 s PRO 145 CO -0.04 0.14 1.21 -1.25 0.04 0.00 0.00 177.00 177.09 1s20 s PRO 146 N 0.43 2.00 0.09 0.56 0.04 -1.26 -4.82 135.00 132.04 1s20 s PRO 146 Ca -0.17 1.76 -0.32 0.00 0.04 0.00 0.00 61.00 62.31 1s20 s PRO 146 Cb -0.17 -1.82 -0.11 0.00 0.04 0.00 0.00 34.50 32.44 1s20 s PRO 146 CO 0.07 -1.94 1.82 1.87 0.04 0.00 0.00 177.00 178.86 1s20 n TRP 147 N -2.88 2.52 0.00 0.56 -0.00 -1.26 -1.10 117.44 115.28 1s20 n TRP 147 Ca 0.13 -0.08 0.00 0.00 -0.00 0.00 0.00 57.50 57.55 1s20 n TRP 147 Cb 0.50 -2.70 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 4.17 0.58 3.64 5.87 0.00 -1.26 -5.08 105.19 113.11 1s20 n GLY 148 Ca 0.19 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.95 1s20 n GLY 148 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s20 s ALA 149 N -2.00 3.23 -0.08 4.61 0.00 -0.25 -5.05 121.76 122.22 1s20 s ALA 149 Ca 0.00 -2.09 0.14 0.00 0.00 0.00 0.00 51.96 50.00 1s20 s ALA 149 Cb 0.00 -0.20 0.28 0.00 0.00 0.00 0.00 23.12 23.20 1s20 s ALA 149 CO 0.00 -0.02 1.13 0.36 0.00 0.00 0.00 175.76 177.23 1s20 n LYS 150 N -0.99 0.70 -3.94 0.00 2.85 -1.26 -4.73 118.16 110.79 1s20 n LYS 150 Ca -0.04 -2.20 -0.13 0.00 -1.05 0.00 0.00 58.31 54.90 1s20 n LYS 150 Cb 0.64 -0.89 -0.14 0.00 -0.65 0.00 0.00 35.03 33.99 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 -1.49 0.12 -0.09 -1.58 2.12 -1.26 -4.93 118.70 111.59 1s20 s GLU 151 Ca 0.26 -0.08 -0.30 0.00 0.36 0.00 0.00 54.97 55.21 1s20 s GLU 151 Cb 0.26 -0.09 -0.04 0.00 0.26 0.00 0.00 34.13 34.51 1s20 s GLU 151 CO -0.05 0.02 1.51 0.00 -0.54 0.00 0.00 175.26 176.20 1s20 n ARG 153 N 6.88 1.09 -4.32 0.00 5.12 -1.26 -4.80 116.66 119.36 1s20 n ARG 153 Ca 0.16 -0.03 -0.17 0.00 -1.93 0.00 0.00 57.85 55.88 1s20 n ARG 153 Cb 0.43 -0.24 -0.10 0.00 -1.16 0.00 0.00 32.46 31.40 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 -0.16 1.61 0.66 0.55 -4.36 -1.26 -4.74 121.20 113.49 1s20 s ILE 154 Ca 0.00 -2.18 0.02 0.00 -0.26 0.00 0.00 60.65 58.24 1s20 s ILE 154 Cb 0.00 -2.00 0.11 0.00 1.25 0.00 0.00 42.46 41.82 1s20 s ILE 154 CO 0.00 -0.63 0.91 -0.83 0.24 0.00 0.00 174.94 174.63 1s20 s GLY 155 N -3.28 1.76 0.00 6.27 0.00 -1.26 -2.30 107.32 108.51 1s20 s GLY 155 Ca 0.21 -1.81 0.26 0.00 0.00 0.00 0.00 44.72 43.39 1s20 s GLY 155 CO 0.05 -1.30 1.54 -1.30 0.00 0.00 0.00 173.10 172.09 1s20 n THR 156 N -2.61 0.00 -0.17 0.90 -2.24 -1.26 -4.87 114.28 104.03 1s20 n THR 156 Ca 0.14 -0.21 0.00 0.00 -2.27 0.00 0.00 64.05 61.71 1s20 n THR 156 Cb 0.61 0.62 0.00 0.00 -2.10 0.00 0.00 70.33 69.46 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 -0.16 0.00 -4.76 3.42 3.02 -1.26 -4.44 115.26 111.09 1s20 n ASN 157 Ca 0.14 0.00 -0.41 0.00 -0.03 0.00 0.00 54.58 54.28 1s20 n ASN 157 Cb 0.38 0.00 -0.01 0.00 -0.61 0.00 0.00 39.78 39.54 1s20 n ASN 157 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1s20 s PRO 158 N 0.00 4.17 -0.17 3.52 0.04 -1.26 -4.77 135.00 136.53 1s20 s PRO 158 Ca 0.00 2.48 -0.04 0.00 0.04 0.00 0.00 61.00 63.48 1s20 s PRO 158 Cb 0.00 -3.04 -0.03 0.00 0.04 0.00 0.00 34.50 31.48 1s20 s PRO 158 CO 0.00 -0.53 -0.03 -1.17 0.04 0.00 0.00 177.00 175.31 1s20 s LEU 159 N -0.88 3.21 -0.10 -3.56 2.96 -1.26 -3.68 118.68 115.37 1s20 s LEU 159 Ca 0.59 -0.17 0.02 0.00 -0.22 0.00 0.00 54.13 54.35 1s20 s LEU 159 Cb -0.45 -1.78 -0.01 0.00 0.50 0.00 0.00 46.19 44.44 1s20 s LEU 159 CO 0.50 0.13 -0.17 -0.63 -1.32 0.00 0.00 176.35 174.87 1s20 s ILE 160 N 0.58 2.74 -0.15 6.68 1.09 0.70 -4.18 121.20 128.66 1s20 s ILE 160 Ca -0.02 -0.79 -0.02 0.00 -1.10 0.00 0.00 60.65 58.71 1s20 s ILE 160 Cb -0.14 -2.10 0.05 0.00 -1.06 0.00 0.00 42.46 39.20 1s20 s ILE 160 CO 0.02 0.55 0.01 -0.69 -0.10 0.00 0.00 174.94 174.74 1s20 s VAL 161 N 0.08 0.54 -0.05 2.92 1.01 -0.75 -1.71 120.40 122.44 1s20 s VAL 161 Ca -0.07 -0.32 0.06 0.00 0.00 0.00 0.00 61.98 61.64 1s20 s VAL 161 Cb -0.15 -0.88 -0.01 0.00 0.00 0.00 0.00 36.38 35.33 1s20 s VAL 161 CO 0.05 -0.00 -0.24 0.00 0.00 0.00 0.00 175.10 174.91 1s20 s ALA 162 N 1.87 2.23 -0.08 5.51 0.00 0.88 -0.99 121.76 131.18 1s20 s ALA 162 Ca 0.01 -1.05 0.01 0.00 0.00 0.00 0.00 51.96 50.93 1s20 s ALA 162 Cb -0.15 -0.69 -0.03 0.00 0.00 0.00 0.00 23.12 22.25 1s20 s ALA 162 CO -0.07 0.45 -0.08 0.42 0.00 0.00 0.00 175.76 176.49 1s20 s ILE 163 N -0.31 3.62 -0.25 0.00 -1.09 0.20 -1.25 121.20 122.12 1s20 s ILE 163 Ca 0.01 -0.50 -0.05 0.00 -2.23 0.00 0.00 60.65 57.87 1s20 s ILE 163 Cb -0.13 -2.48 -0.19 0.00 -1.58 0.00 0.00 42.46 38.08 1s20 s ILE 163 CO 0.02 0.58 2.95 -0.81 -1.23 0.00 0.00 174.94 176.46 1s20 n PRO 164 N 2.42 1.88 -2.89 2.79 -0.04 -1.26 -2.89 135.00 135.01 1s20 n PRO 164 Ca -0.18 -1.01 -0.21 0.00 -0.04 0.00 0.00 63.50 62.06 1s20 n PRO 164 Cb 0.53 -2.05 0.02 0.00 -0.04 0.00 0.00 33.50 31.96 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 2.29 5.59 -0.36 3.54 1.04 -1.26 -4.96 113.70 119.58 1s20 s SER 165 Ca 0.55 0.02 -0.02 0.00 0.48 0.00 0.00 55.95 56.98 1s20 s SER 165 Cb 0.24 -1.11 0.08 0.00 0.10 0.00 0.00 66.02 65.33 1s20 s SER 165 CO -0.01 -0.87 0.11 -0.89 0.98 0.00 0.00 173.24 172.57 1s20 s THR 166 N -2.58 3.14 0.88 2.02 2.01 -1.26 -0.75 115.64 119.11 1s20 s THR 166 Ca 0.53 -1.76 -0.14 0.00 0.31 0.00 0.00 61.69 60.63 1s20 s THR 166 Cb -0.10 -3.01 0.13 0.00 0.01 0.00 0.00 72.50 69.53 1s20 s THR 166 CO 0.37 -0.43 1.23 -2.16 -0.69 0.00 0.00 174.62 172.93 1s20 s PRO 167 N 1.18 1.33 0.17 4.92 0.04 -1.26 -5.04 135.00 136.35 1s20 s PRO 167 Ca 0.03 -0.06 -0.33 0.00 0.04 0.00 0.00 61.00 60.68 1s20 s PRO 167 Cb -0.21 -1.89 -0.13 0.00 0.04 0.00 0.00 34.50 32.31 1s20 s PRO 167 CO -0.03 -2.00 1.69 -0.89 0.04 0.00 0.00 177.00 175.81 1s20 n ILE 168 N -3.56 0.07 -4.07 0.56 5.41 0.08 -5.01 119.36 112.84 1s20 n ILE 168 Ca 0.11 -0.01 -0.33 0.00 1.00 0.00 0.00 62.75 63.51 1s20 n ILE 168 Cb 0.60 -1.83 -0.07 0.00 -0.71 0.00 0.00 39.64 37.63 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 1.38 4.87 -0.20 1.39 2.01 -1.14 -4.22 115.64 119.72 1s20 s THR 169 Ca 0.78 -0.30 -0.22 0.00 0.31 0.00 0.00 61.69 62.26 1s20 s THR 169 Cb -0.57 -3.21 0.06 0.00 0.01 0.00 0.00 72.50 68.78 1s20 s THR 169 CO 0.36 0.39 0.60 0.68 -0.69 0.00 0.00 174.62 175.96 1s20 s VAL 171 N -1.18 0.00 -0.01 3.82 -7.23 -0.16 0.61 120.40 116.25 1s20 s VAL 171 Ca 0.22 -0.02 0.00 0.00 -1.81 0.00 0.00 61.98 60.37 1s20 s VAL 171 Cb -0.12 -0.85 0.01 0.00 0.56 0.00 0.00 36.38 35.98 1s20 s VAL 171 CO 0.13 -0.01 0.01 -0.62 -0.31 0.00 0.00 175.10 174.30 1s20 s ASP 172 N 0.11 0.08 0.00 4.85 -1.08 -1.26 -1.81 116.67 117.56 1s20 s ASP 172 Ca -0.02 0.01 0.00 0.00 -0.52 0.00 0.00 52.55 52.03 1s20 s ASP 172 Cb -0.04 -0.05 0.00 0.00 -1.46 0.00 0.00 42.92 41.37 1s20 s ASP 172 CO 0.02 -0.06 0.00 -1.54 0.52 0.00 0.00 175.17 174.11 1s20 n SER 174 N 3.63 0.00 0.00 -0.34 3.41 -1.26 -4.95 113.62 114.11 1s20 n SER 174 Ca -0.20 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.41 1s20 n SER 174 Cb 0.55 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.50 1s20 n SER 174 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1s20 n SER 176 N 0.00 0.00 -4.29 4.04 3.41 -1.26 -4.95 113.62 110.57 1s20 n SER 176 Ca 0.00 0.00 -0.46 0.00 -0.26 0.00 0.00 58.87 58.15 1s20 n SER 176 Cb 0.00 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 63.92 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 0.54 -0.74 -2.41 7.33 3.01 -1.26 -4.97 117.46 118.95 1s20 n PHE 178 Ca 0.00 0.90 -0.32 0.00 1.01 0.00 0.00 57.45 59.03 1s20 n PHE 178 Cb 0.00 -1.89 -0.03 0.00 -0.01 0.00 0.00 39.48 37.54 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 -0.98 6.59 0.47 4.37 1.04 -1.26 -4.91 113.70 119.02 1s20 s SER 179 Ca 0.62 1.60 0.20 0.00 0.48 0.00 0.00 55.95 58.85 1s20 s SER 179 Cb -0.86 -2.51 1.20 0.00 0.10 0.00 0.00 66.02 63.94 1s20 s SER 179 CO 0.56 -0.61 1.96 1.88 0.98 0.00 0.00 173.24 178.01 1s20 h TYR 180 N 0.98 0.27 0.00 5.02 -1.99 -1.99 -2.31 116.97 116.95 1s20 h TYR 180 Ca -0.47 0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.27 1s20 h TYR 180 Cb 1.19 -0.09 0.00 0.00 2.00 0.00 0.00 36.73 39.83 1s20 h TYR 180 CO 0.63 0.11 0.00 0.41 -0.00 0.00 0.00 178.16 179.31 1s20 n GLY 181 N -1.58 0.27 2.62 3.88 0.00 -1.26 -1.88 105.19 107.25 1s20 n GLY 181 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 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 0.76 0.00 -0.07 0.99 4.77 -0.87 -2.28 117.00 120.31 1s20 n LEU 183 Ca 0.00 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.88 1s20 n LEU 183 Cb 0.06 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.12 1s20 n LEU 183 CO 0.00 0.00 0.96 -0.08 -1.33 0.00 0.00 177.39 176.94 1s20 h GLU 184 N 0.00 0.33 -0.34 3.23 4.81 -1.67 0.31 114.58 121.26 1s20 h GLU 184 Ca 0.00 -0.03 0.07 0.00 -0.13 0.00 0.00 59.36 59.27 1s20 h GLU 184 Cb 0.00 -0.07 -0.08 0.00 0.63 0.00 0.00 28.75 29.22 1s20 h GLU 184 CO 0.00 0.25 -0.35 0.28 -0.73 0.00 0.00 179.01 178.46 1s20 h VAL 185 N 0.31 0.21 -0.64 0.32 2.07 -1.74 0.12 116.25 116.91 1s20 h VAL 185 Ca 0.09 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.57 1s20 h VAL 185 Cb 0.00 0.21 -0.03 0.00 -1.52 0.00 0.00 31.29 29.95 1s20 h VAL 185 CO -0.02 0.00 0.24 0.78 0.02 0.00 0.00 177.57 178.60 1s20 h ASN 186 N -0.31 0.89 -0.41 0.57 4.21 -1.81 -1.17 115.58 117.55 1s20 h ASN 186 Ca 0.15 -0.18 0.06 0.00 1.21 0.00 0.00 56.30 57.54 1s20 h ASN 186 Cb 0.56 -0.23 -0.05 0.00 -1.12 0.00 0.00 38.32 37.47 1s20 h ASN 186 CO -0.51 0.82 0.10 -0.09 -1.29 0.00 0.00 177.43 176.47 1s20 h ARG 187 N 0.90 0.23 -0.54 0.81 2.43 0.35 0.73 114.38 119.29 1s20 h ARG 187 Ca 0.21 -0.01 -0.07 0.00 -0.81 0.00 0.00 59.98 59.30 1s20 h ARG 187 Cb 0.22 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.70 1s20 h ARG 187 CO -0.02 0.15 0.08 -0.07 -1.51 0.00 0.00 179.97 178.61 1s20 h LEU 188 N 0.24 0.86 0.00 3.80 3.38 -0.63 -1.12 115.31 121.83 1s20 h LEU 188 Ca 0.19 -0.26 0.00 0.00 0.09 0.00 0.00 57.88 57.90 1s20 h LEU 188 Cb 0.22 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.74 1s20 h LEU 188 CO -0.24 0.91 0.00 0.00 0.09 0.00 0.00 178.44 179.20 1s20 n ALA 189 N -2.42 1.87 -2.79 1.53 0.00 -0.46 -4.85 120.51 113.40 1s20 n ALA 189 Ca 0.02 -0.07 -0.22 0.00 0.00 0.00 0.00 53.44 53.17 1s20 n ALA 189 Cb 0.27 -1.22 0.02 0.00 0.00 0.00 0.00 19.45 18.51 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 -0.13 -0.51 3.43 0.00 0.00 0.16 -4.99 105.19 103.13 1s20 n GLY 190 Ca 0.08 0.08 -0.23 0.00 0.00 0.00 0.00 46.02 45.95 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 -5.46 1.56 0.27 1.61 1.70 -0.66 -5.03 118.95 112.95 1s20 s ARG 191 Ca 0.19 -1.69 -0.14 0.00 -0.47 0.00 0.00 55.73 53.62 1s20 s ARG 191 Cb -0.08 -1.59 -0.08 0.00 -0.57 0.00 0.00 34.95 32.62 1s20 s ARG 191 CO 0.23 0.30 0.67 -0.65 -1.08 0.00 0.00 175.30 174.76 1s20 s GLN 192 N -3.44 3.96 0.52 3.89 -1.52 -1.26 -4.40 119.66 117.40 1s20 s GLN 192 Ca 0.27 0.56 -0.22 0.00 -1.95 0.00 0.00 55.36 54.01 1s20 s GLN 192 Cb -0.04 -2.57 -0.06 0.00 -0.22 0.00 0.00 33.01 30.12 1s20 s GLN 192 CO 0.12 0.25 1.31 -0.51 -0.25 0.00 0.00 175.29 176.21 1s20 s LEU 193 N -2.77 3.91 0.58 2.90 1.43 -0.28 -4.90 118.68 119.55 1s20 s LEU 193 Ca 0.50 2.65 0.36 0.00 -1.03 0.00 0.00 54.13 56.61 1s20 s LEU 193 Cb -0.11 -4.24 1.64 0.00 0.03 0.00 0.00 46.19 43.50 1s20 s LEU 193 CO 0.19 -1.37 2.09 1.55 0.23 0.00 0.00 176.35 179.04 1s20 h PRO 194 N 1.68 0.00 -3.47 1.29 0.13 -1.96 -3.44 132.00 126.22 1s20 h PRO 194 Ca -0.50 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.52 1s20 h PRO 194 Cb 1.28 0.00 -0.18 0.00 0.13 0.00 0.00 31.00 32.24 1s20 h PRO 194 CO 0.58 0.02 -0.36 0.14 -0.23 0.00 0.00 178.00 178.15 1s20 s VAL 195 N -3.83 0.10 -0.13 1.56 -7.23 -1.26 -5.11 120.40 104.50 1s20 s VAL 195 Ca -0.01 -0.81 -0.40 0.00 -1.81 0.00 0.00 61.98 58.95 1s20 s VAL 195 Cb 0.10 -0.87 -0.18 0.00 0.56 0.00 0.00 36.38 35.99 1s20 s VAL 195 CO 0.51 -0.45 1.42 0.47 -0.31 0.00 0.00 175.10 176.75 1s20 n ASP 196 N 0.74 1.35 -0.09 4.85 10.43 -1.26 -4.84 116.55 127.73 1s20 n ASP 196 Ca -0.19 1.13 0.02 0.00 2.57 0.00 0.00 54.79 58.32 1s20 n ASP 196 Cb 0.59 -1.06 -0.01 0.00 1.84 0.00 0.00 41.12 42.48 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 2.94 -0.07 0.00 0.44 0.00 -1.05 -4.94 105.19 102.51 1s20 n GLY 197 Ca 0.23 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.10 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 0.78 -1.02 3.54 -0.02 0.00 -1.22 0.61 105.19 107.85 1s20 n GLY 198 Ca 0.02 -0.84 -0.31 0.00 0.00 0.00 0.00 46.02 44.89 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 -3.00 2.75 0.48 1.61 0.40 -0.79 -1.28 117.98 118.14 1s20 s PHE 199 Ca 0.00 -0.14 -0.05 0.00 -0.60 0.00 0.00 56.93 56.14 1s20 s PHE 199 Cb 0.00 -1.53 0.10 0.00 0.51 0.00 0.00 43.02 42.10 1s20 s PHE 199 CO 0.00 0.33 0.65 -0.40 0.70 0.00 0.00 175.22 176.51 1s20 n ASP 200 N 1.43 0.33 0.15 1.36 5.68 -0.68 -4.50 116.55 120.32 1s20 n ASP 200 Ca -0.15 -1.41 0.12 0.00 -0.50 0.00 0.00 54.79 52.85 1s20 n ASP 200 Cb 0.52 -0.47 0.53 0.00 -1.14 0.00 0.00 41.12 40.57 1s20 n ASP 200 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 1s20 n ASP 201 N -3.26 0.64 0.06 -1.12 8.00 -1.26 -1.85 116.55 117.76 1s20 n ASP 201 Ca 0.09 0.71 0.12 0.00 0.71 0.00 0.00 54.79 56.41 1s20 n ASP 201 Cb 0.32 -0.82 0.08 0.00 -0.02 0.00 0.00 41.12 40.68 1s20 n ASP 201 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1s20 n GLU 202 N -2.26 0.37 0.00 -1.24 4.71 -1.26 -4.97 120.64 115.99 1s20 n GLU 202 Ca 0.01 0.07 0.00 0.00 -0.01 0.00 0.00 57.16 57.22 1s20 n GLU 202 Cb 0.16 -1.69 0.00 0.00 -1.01 0.00 0.00 31.44 28.89 1s20 n GLU 202 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1s20 n GLY 203 N 1.31 0.65 3.87 0.62 0.00 -0.77 -5.10 105.19 105.76 1s20 n GLY 203 Ca 0.02 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.53 6.05 0.48 1.61 -0.87 -1.26 -4.80 114.94 113.62 1s20 s ASN 204 Ca 0.00 0.17 -0.22 0.00 -1.57 0.00 0.00 52.86 51.23 1s20 s ASN 204 Cb 0.00 -1.78 -0.09 0.00 -0.02 0.00 0.00 41.25 39.36 1s20 s ASN 204 CO 0.00 0.17 0.96 0.18 -2.57 0.00 0.00 177.10 175.84 1s20 n LEU 205 N 0.36 2.74 -3.61 0.60 7.99 -1.26 -1.69 117.00 122.13 1s20 n LEU 205 Ca -0.06 0.95 -0.13 0.00 -0.01 0.00 0.00 56.01 56.76 1s20 n LEU 205 Cb 0.51 -1.35 -0.06 0.00 -0.11 0.00 0.00 43.42 42.42 1s20 n LEU 205 CO 0.49 -1.70 0.22 0.28 -1.51 0.00 0.00 177.39 175.17 1s20 s THR 206 N -1.38 0.04 -2.26 -5.08 -1.32 -0.40 -4.78 115.64 100.46 1s20 s THR 206 Ca 0.67 -0.36 0.19 0.00 -1.21 0.00 0.00 61.69 60.98 1s20 s THR 206 Cb -0.51 -0.99 0.25 0.00 -1.51 0.00 0.00 72.50 69.74 1s20 s THR 206 CO 0.54 -0.20 1.20 0.29 -2.21 0.00 0.00 174.62 174.24 1s20 n LYS 207 N 0.36 1.97 -2.47 7.08 5.02 -1.26 -2.53 118.16 126.32 1s20 n LYS 207 Ca -0.18 -1.86 -0.42 0.00 -2.02 0.00 0.00 58.31 53.83 1s20 n LYS 207 Cb 0.61 -1.40 -0.02 0.00 -0.02 0.00 0.00 35.03 34.19 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 -1.49 3.51 0.09 1.97 -6.30 -1.26 -1.12 118.70 114.11 1s20 s GLU 208 Ca 0.27 0.55 -0.29 0.00 -2.50 0.00 0.00 54.97 52.99 1s20 s GLU 208 Cb 0.18 -4.02 -0.12 0.00 0.00 0.00 0.00 34.13 30.16 1s20 s GLU 208 CO 0.25 -1.66 1.47 -1.35 0.02 0.00 0.00 175.26 173.99 1s20 h PRO 209 N 10.20 -0.58 -0.82 4.30 0.11 -1.89 -3.23 132.00 140.10 1s20 h PRO 209 Ca -0.26 0.04 0.11 0.00 0.11 0.00 0.00 66.00 66.00 1s20 h PRO 209 Cb 1.08 0.13 -0.13 0.00 0.11 0.00 0.00 31.00 32.19 1s20 h PRO 209 CO 1.15 -0.39 -0.46 0.78 -0.21 0.00 0.00 178.00 178.87 1s20 h GLY 210 N -0.60 -0.37 0.09 -0.55 0.00 -1.93 -1.38 103.07 98.33 1s20 h GLY 210 Ca 0.00 0.61 0.12 0.00 0.00 0.00 0.00 47.33 48.06 1s20 h GLY 210 CO -0.28 -0.12 0.05 -2.08 0.00 0.00 0.00 176.54 174.11 1s20 h VAL 211 N -0.10 0.57 -0.53 4.60 2.07 -1.95 -0.84 116.25 120.08 1s20 h VAL 211 Ca 0.23 -0.06 -0.02 0.00 0.82 0.00 0.00 66.70 67.67 1s20 h VAL 211 Cb 0.54 0.39 -0.02 0.00 -1.52 0.00 0.00 31.29 30.67 1s20 h VAL 211 CO -0.85 0.03 0.23 0.40 0.02 0.00 0.00 177.57 177.40 1s20 h ILE 212 N 0.17 1.21 -0.20 4.57 2.04 -1.32 -0.72 117.51 123.27 1s20 h ILE 212 Ca 0.31 -0.62 -0.01 0.00 1.00 0.00 0.00 64.86 65.54 1s20 h ILE 212 Cb 0.48 0.64 -0.01 0.00 -0.74 0.00 0.00 36.82 37.18 1s20 h ILE 212 CO -0.45 0.24 0.08 -0.33 0.00 0.00 0.00 178.15 177.68 1s20 h GLU 213 N 0.71 0.27 0.04 2.37 5.08 -0.35 0.15 114.58 122.84 1s20 h GLU 213 Ca 0.18 -0.03 -0.07 0.00 -1.00 0.00 0.00 59.36 58.44 1s20 h GLU 213 Cb 0.16 -0.06 0.01 0.00 0.50 0.00 0.00 28.75 29.36 1s20 h GLU 213 CO -0.02 0.23 -0.30 -0.22 -1.00 0.00 0.00 179.01 177.70 1s20 h LYS 214 N 0.28 0.14 -0.00 2.33 3.11 -0.63 -3.33 116.57 118.46 1s20 h LYS 214 Ca 0.07 -0.20 0.00 0.00 -2.81 0.00 0.00 60.65 57.71 1s20 h LYS 214 Cb 0.06 0.07 0.00 0.00 -1.00 0.00 0.00 32.23 31.36 1s20 h LYS 214 CO -0.01 1.03 -0.26 0.27 -2.81 0.00 0.00 179.45 177.67 1s20 n ASN 215 N -4.45 0.35 0.00 4.20 0.23 -0.33 -4.92 115.26 110.35 1s20 n ASN 215 Ca -0.11 -0.08 0.00 0.00 -0.53 0.00 0.00 54.58 53.87 1s20 n ASN 215 Cb 0.58 -0.06 0.00 0.00 -2.08 0.00 0.00 39.78 38.22 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 -1.38 -1.09 -1.57 -3.83 5.12 0.51 -4.87 116.66 109.55 1s20 n ARG 216 Ca 0.08 0.27 -0.40 0.00 -1.93 0.00 0.00 57.85 55.87 1s20 n ARG 216 Cb 0.33 -4.27 -0.02 0.00 -1.16 0.00 0.00 32.46 27.33 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 -0.61 3.94 -2.19 5.56 1.74 -1.24 -4.56 116.66 119.30 1s20 n ARG 217 Ca 0.00 -2.65 -0.41 0.00 -0.77 0.00 0.00 57.85 54.02 1s20 n ARG 217 Cb 0.27 -2.77 -0.03 0.00 -1.02 0.00 0.00 32.46 28.91 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 1.14 3.09 0.02 0.55 1.10 -1.26 -1.89 121.20 123.95 1s20 s ILE 218 Ca 0.63 0.93 -0.28 0.00 -0.51 0.00 0.00 60.65 61.42 1s20 s ILE 218 Cb 0.18 -3.60 -0.04 0.00 0.15 0.00 0.00 42.46 39.15 1s20 s ILE 218 CO -0.07 0.16 0.91 -0.22 -2.11 0.00 0.00 174.94 173.60 1s20 s LEU 219 N -0.48 4.40 0.00 8.50 2.96 0.20 -4.52 118.68 129.74 1s20 s LEU 219 Ca 0.55 1.59 0.00 0.00 -0.22 0.00 0.00 54.13 56.05 1s20 s LEU 219 Cb -0.37 -3.46 0.00 0.00 0.50 0.00 0.00 46.19 42.86 1s20 s LEU 219 CO 0.41 -0.16 0.00 -2.65 -1.32 0.00 0.00 176.35 172.64 1s20 n PRO 220 N 3.48 0.00 -0.09 0.98 -0.02 -1.26 -4.45 135.00 133.63 1s20 n PRO 220 Ca 0.03 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.51 1s20 n PRO 220 Cb 0.51 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.99 1s20 n PRO 220 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1s20 n GLY 222 N 2.59 0.00 7.00 -1.23 0.00 -1.26 -4.83 105.19 107.46 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 0.51 1.61 4.01 -1.26 -1.73 117.16 120.30 1s20 n TYR 223 Ca 0.00 0.00 0.13 0.00 -0.16 0.00 0.00 57.90 57.87 1s20 n TYR 223 Cb 0.00 0.00 0.44 0.00 -0.31 0.00 0.00 39.34 39.47 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 0.00 -0.72 0.09 -1.98 -3.05 115.95 110.29 1s20 h TRP 224 Ca 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 58.89 58.98 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 0.00 -0.00 0.87 0.09 0.00 0.00 178.44 179.40 1s20 h LYS 225 N 0.00 -0.00 -0.51 0.12 1.57 -1.72 -2.27 116.57 113.75 1s20 h LYS 225 Ca 0.00 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.74 1s20 h LYS 225 Cb 0.59 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.88 1s20 h LYS 225 CO 0.00 0.86 0.15 0.78 -0.57 0.00 0.00 179.45 180.68 1s20 h GLY 226 N -0.89 0.81 0.96 3.86 0.00 -1.72 -2.63 103.07 103.45 1s20 h GLY 226 Ca -0.00 -0.43 -0.00 0.00 0.00 0.00 0.00 47.33 46.89 1s20 h GLY 226 CO 0.00 0.41 -0.10 0.23 0.00 0.00 0.00 176.54 177.08 1s20 h SER 227 N 0.74 -0.24 0.00 0.19 0.87 -1.60 -1.24 113.55 112.27 1s20 h SER 227 Ca 0.17 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.74 1s20 h SER 227 Cb 0.23 0.07 0.00 0.00 -0.44 0.00 0.00 62.40 62.26 1s20 h SER 227 CO -0.01 -0.16 0.00 0.61 -0.53 0.00 0.00 176.83 176.74 1s20 n GLY 228 N -1.21 0.50 2.83 5.77 0.00 -0.85 -2.51 105.19 109.72 1s20 n GLY 228 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.94 1s20 n GLY 228 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1s20 n SER 230 N 0.81 0.00 0.04 1.61 2.88 -0.47 -1.76 113.62 116.73 1s20 n SER 230 Ca 0.00 0.00 -0.12 0.00 -1.33 0.00 0.00 58.87 57.42 1s20 n SER 230 Cb 0.12 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.51 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 1.00 -0.48 2.46 2.04 -1.75 -1.20 117.51 119.58 1s20 h ILE 231 Ca 0.00 -0.01 -0.12 0.00 1.00 0.00 0.00 64.86 65.72 1s20 h ILE 231 Cb 0.00 1.01 -0.01 0.00 -0.74 0.00 0.00 36.82 37.08 1s20 h ILE 231 CO 0.00 0.00 -0.19 -0.37 0.00 0.00 0.00 178.15 177.60 1s20 h VAL 232 N -0.01 1.27 -0.87 1.67 -1.51 -1.65 -2.67 116.25 112.49 1s20 h VAL 232 Ca -0.00 -1.33 0.05 0.00 -1.23 0.00 0.00 66.70 64.19 1s20 h VAL 232 Cb 0.01 1.10 -0.06 0.00 -2.13 0.00 0.00 31.29 30.20 1s20 h VAL 232 CO 0.00 0.46 0.54 -0.07 -1.23 0.00 0.00 177.57 177.28 1s20 h LEU 233 N 0.83 0.87 -1.56 4.19 3.38 -1.79 -1.12 115.31 120.10 1s20 h LEU 233 Ca 0.12 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.10 1s20 h LEU 233 Cb 0.74 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.32 1s20 h LEU 233 CO 0.06 0.57 0.00 -0.67 0.09 0.00 0.00 178.44 178.49 1s20 n ASP 234 N -4.59 0.48 0.00 -0.43 2.03 -0.47 -1.45 116.55 112.12 1s20 n ASP 234 Ca 0.12 -0.45 0.00 0.00 0.52 0.00 0.00 54.79 54.98 1s20 n ASP 234 Cb 0.15 -0.11 0.00 0.00 -0.72 0.00 0.00 41.12 40.44 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 0.66 0.00 -0.34 5.18 5.41 -0.43 -1.36 119.36 128.49 1s20 n ILE 236 Ca 0.00 0.00 0.07 0.00 1.00 0.00 0.00 62.75 63.82 1s20 n ILE 236 Cb 0.09 0.00 0.25 0.00 -0.71 0.00 0.00 39.64 39.27 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 1.55 0.01 -1.39 0.00 -1.50 -1.26 119.26 116.67 1s20 h ALA 237 Ca 0.00 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 1s20 h ALA 237 Cb 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.57 1s20 h ALA 237 CO 0.00 0.24 -0.01 1.15 0.00 0.00 0.00 179.25 180.63 1s20 h THR 238 N 0.99 1.39 0.59 0.00 2.02 -1.47 -3.05 112.91 113.37 1s20 h THR 238 Ca 0.46 -1.23 -0.03 0.00 0.77 0.00 0.00 66.41 66.39 1s20 h THR 238 Cb 0.42 2.21 0.01 0.00 -1.74 0.00 0.00 68.15 69.05 1s20 h THR 238 CO -0.22 0.31 -0.29 -0.07 0.37 0.00 0.00 175.52 175.63 1s20 h LEU 239 N -0.55 -0.68 -1.38 2.58 3.38 -1.73 0.25 115.31 117.18 1s20 h LEU 239 Ca -0.00 -0.02 0.08 0.00 0.09 0.00 0.00 57.88 58.03 1s20 h LEU 239 Cb 0.53 0.17 -0.05 0.00 0.09 0.00 0.00 40.66 41.40 1s20 h LEU 239 CO 0.00 -0.39 0.49 -0.07 0.09 0.00 0.00 178.44 178.56 1s20 h LEU 240 N -0.93 0.64 -0.90 1.67 3.38 -1.39 -1.26 115.31 116.52 1s20 h LEU 240 Ca -0.08 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.90 1s20 h LEU 240 Cb 0.66 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.28 1s20 h LEU 240 CO 0.13 0.40 -0.32 -1.54 0.09 0.00 0.00 178.44 177.20 1s20 n SER 241 N -4.49 1.72 -4.01 -0.43 3.41 -1.15 -4.79 113.62 103.87 1s20 n SER 241 Ca 0.12 -1.33 -0.28 0.00 -0.26 0.00 0.00 58.87 57.11 1s20 n SER 241 Cb 0.28 0.28 -0.02 0.00 -0.26 0.00 0.00 64.21 64.49 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 -0.11 -1.10 0.00 4.04 4.64 0.75 -4.50 116.55 120.27 1s20 n ASP 242 Ca 0.11 -1.00 0.00 0.00 -1.38 0.00 0.00 54.79 52.52 1s20 n ASP 242 Cb 0.43 -3.00 0.00 0.00 -1.04 0.00 0.00 41.12 37.51 1s20 n ASP 242 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 1s20 n GLY 243 N -1.87 5.39 3.82 0.27 0.00 -0.47 -5.00 105.19 107.33 1s20 n GLY 243 Ca -0.22 -1.95 -0.38 0.00 0.00 0.00 0.00 46.02 43.48 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 -2.12 3.67 0.80 4.61 0.00 -1.26 -4.86 121.76 122.61 1s20 s ALA 244 Ca 0.00 -0.23 -0.04 0.00 0.00 0.00 0.00 51.96 51.69 1s20 s ALA 244 Cb 0.00 -2.40 0.16 0.00 0.00 0.00 0.00 23.12 20.88 1s20 s ALA 244 CO 0.00 0.42 1.09 -1.54 0.00 0.00 0.00 175.76 175.73 1s20 s SER 245 N -0.84 3.91 0.11 0.00 1.04 -1.26 -4.08 113.70 112.58 1s20 s SER 245 Ca 0.23 -0.34 -0.24 0.00 0.48 0.00 0.00 55.95 56.09 1s20 s SER 245 Cb -0.16 0.13 -0.07 0.00 0.10 0.00 0.00 66.02 66.01 1s20 s SER 245 CO 0.12 -2.17 1.68 0.58 0.98 0.00 0.00 173.24 174.43 1s20 h VAL 246 N -0.85 0.66 -0.57 5.02 2.07 -1.91 -1.47 116.25 119.20 1s20 h VAL 246 Ca -0.37 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.25 1s20 h VAL 246 Cb 1.25 0.66 -0.08 0.00 -1.52 0.00 0.00 31.29 31.60 1s20 h VAL 246 CO 0.36 0.00 0.14 0.00 0.02 0.00 0.00 177.57 178.09 1s20 h ALA 247 N 0.73 0.68 0.13 1.67 0.00 -1.89 -0.37 119.26 120.20 1s20 h ALA 247 Ca 0.05 0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 1s20 h ALA 247 Cb 0.29 0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1s20 h ALA 247 CO -0.14 -0.28 -0.06 1.49 0.00 0.00 0.00 179.25 180.25 1s20 h GLU 248 N 0.28 -0.16 -0.68 0.00 4.81 -1.83 -0.71 114.58 116.29 1s20 h GLU 248 Ca 0.29 0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 59.50 1s20 h GLU 248 Cb 0.41 0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.79 1s20 h GLU 248 CO -0.36 -0.11 0.28 0.28 -0.73 0.00 0.00 179.01 178.37 1s20 h VAL 249 N -0.17 1.23 -0.03 0.32 2.07 -0.90 0.37 116.25 119.13 1s20 h VAL 249 Ca -0.02 -0.72 -0.16 0.00 0.82 0.00 0.00 66.70 66.63 1s20 h VAL 249 Cb 0.13 0.41 -0.01 0.00 -1.52 0.00 0.00 31.29 30.30 1s20 h VAL 249 CO 0.03 0.29 -0.68 0.74 0.02 0.00 0.00 177.57 177.96 1s20 h THR 250 N 0.98 1.44 0.00 2.57 2.02 -0.91 -2.92 112.91 116.09 1s20 h THR 250 Ca 0.23 -2.21 -0.37 0.00 0.77 0.00 0.00 66.41 64.83 1s20 h THR 250 Cb 0.18 2.17 -0.07 0.00 -1.74 0.00 0.00 68.15 68.69 1s20 h THR 250 CO -0.02 0.64 -2.40 0.00 0.37 0.00 0.00 175.52 174.12 1s20 n GLN 251 N -3.79 0.68 0.02 6.66 6.02 -0.29 -4.61 117.38 122.08 1s20 n GLN 251 Ca -0.02 0.04 0.02 0.00 -0.01 0.00 0.00 57.00 57.03 1s20 n GLN 251 Cb 0.67 -1.53 -0.09 0.00 1.02 0.00 0.00 30.24 30.32 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 -2.89 0.64 -4.90 1.08 10.43 0.13 -4.95 116.55 116.08 1s20 n ASP 252 Ca -0.36 0.27 -0.26 0.00 2.57 0.00 0.00 54.79 57.02 1s20 n ASP 252 Cb 1.11 0.57 -0.04 0.00 1.84 0.00 0.00 41.12 44.60 1s20 n ASP 252 CO 0.00 0.00 0.00 0.20 -1.07 0.00 0.00 177.20 176.33 1s20 s ASN 253 N -5.50 6.09 0.04 -2.24 0.02 -1.10 -5.01 114.94 107.24 1s20 s ASN 253 Ca -0.04 0.07 0.28 0.00 -1.02 0.00 0.00 52.86 52.15 1s20 s ASN 253 Cb 0.09 -1.76 1.09 0.00 0.02 0.00 0.00 41.25 40.69 1s20 s ASN 253 CO 0.82 0.05 1.85 -1.54 0.02 0.00 0.00 177.10 178.30 1s20 n SER 254 N -0.57 0.19 -3.23 -1.22 3.41 -1.26 -4.79 113.62 106.15 1s20 n SER 254 Ca -0.07 0.44 -0.05 0.00 -0.26 0.00 0.00 58.87 58.93 1s20 n SER 254 Cb 0.54 -0.47 0.02 0.00 -0.26 0.00 0.00 64.21 64.05 1s20 n SER 254 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1s20 s ASP 255 N -3.26 0.00 -0.89 4.04 3.68 -1.26 -5.09 116.67 113.90 1s20 s ASP 255 Ca 0.13 -0.82 -0.25 0.00 2.13 0.00 0.00 52.55 53.74 1s20 s ASP 255 Cb 0.18 0.61 -0.04 0.00 -1.45 0.00 0.00 42.92 42.22 1s20 s ASP 255 CO 0.56 -1.21 1.89 -0.70 0.13 0.00 0.00 175.17 175.84 1s20 s GLU 256 N -2.21 2.66 0.12 4.34 2.12 -1.26 -4.88 118.70 119.59 1s20 s GLU 256 Ca 0.20 -0.28 -0.21 0.00 0.36 0.00 0.00 54.97 55.04 1s20 s GLU 256 Cb -0.03 -5.02 0.06 0.00 0.26 0.00 0.00 34.13 29.39 1s20 s GLU 256 CO 0.07 -3.20 0.52 1.52 -0.54 0.00 0.00 175.26 173.63 1s20 s TYR 257 N 9.49 -0.41 -0.35 5.30 1.13 -1.26 -4.67 117.35 126.57 1s20 s TYR 257 Ca 0.67 0.24 -0.00 0.00 -1.41 0.00 0.00 57.07 56.57 1s20 s TYR 257 Cb -0.07 0.42 0.00 0.00 -1.10 0.00 0.00 41.96 41.21 1s20 s TYR 257 CO 0.00 -0.75 0.04 0.41 -2.51 0.00 0.00 175.55 172.74 1s20 n GLY 258 N -0.13 0.26 3.93 5.49 0.00 0.42 -4.91 105.19 110.25 1s20 n GLY 258 Ca -0.17 -0.68 -0.28 0.00 0.00 0.00 0.00 46.02 44.90 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 -2.34 2.10 -0.02 -0.61 -4.36 0.11 -4.00 121.20 112.08 1s20 s ILE 259 Ca 0.02 -0.16 0.04 0.00 -0.26 0.00 0.00 60.65 60.28 1s20 s ILE 259 Cb -0.01 -2.94 -0.03 0.00 1.25 0.00 0.00 42.46 40.73 1s20 s ILE 259 CO 0.02 0.00 -0.12 -0.44 0.24 0.00 0.00 174.94 174.64 1s20 s SER 260 N -4.69 4.21 0.03 4.36 0.01 -1.26 -1.15 113.70 115.21 1s20 s SER 260 Ca 0.66 -0.22 0.01 0.00 1.31 0.00 0.00 55.95 57.72 1s20 s SER 260 Cb -0.08 -0.89 -0.02 0.00 0.21 0.00 0.00 66.02 65.24 1s20 s SER 260 CO 0.48 0.31 -0.06 -1.10 0.41 0.00 0.00 173.24 173.29 1s20 s GLN 261 N -1.09 0.43 -0.07 12.44 -0.21 -0.71 -1.51 119.66 128.94 1s20 s GLN 261 Ca 0.14 -0.61 0.05 0.00 0.02 0.00 0.00 55.36 54.95 1s20 s GLN 261 Cb -0.11 -0.18 -0.01 0.00 1.00 0.00 0.00 33.01 33.71 1s20 s GLN 261 CO 0.04 0.03 -0.22 0.42 -2.12 0.00 0.00 175.29 173.44 1s20 s ILE 262 N -1.19 2.35 -0.13 1.08 -1.09 0.92 -1.40 121.20 121.74 1s20 s ILE 262 Ca -0.10 -0.96 -0.00 0.00 -2.23 0.00 0.00 60.65 57.36 1s20 s ILE 262 Cb -0.09 -1.89 0.03 0.00 -1.58 0.00 0.00 42.46 38.93 1s20 s ILE 262 CO -0.00 0.57 -0.08 -0.36 -1.23 0.00 0.00 174.94 173.83 1s20 s PHE 263 N -0.15 1.67 -0.00 3.97 0.08 -0.18 -1.79 117.98 121.58 1s20 s PHE 263 Ca -0.03 -0.91 0.06 0.00 0.12 0.00 0.00 56.93 56.16 1s20 s PHE 263 Cb -0.14 -1.33 -0.02 0.00 -0.57 0.00 0.00 43.02 40.97 1s20 s PHE 263 CO 0.04 -0.57 -0.18 0.42 -0.10 0.00 0.00 175.22 174.83 1s20 s ILE 264 N 1.65 1.43 -0.01 0.64 1.01 0.14 -0.17 121.20 125.88 1s20 s ILE 264 Ca 0.04 -0.85 0.02 0.00 0.00 0.00 0.00 60.65 59.86 1s20 s ILE 264 Cb -0.13 -1.20 -0.00 0.00 0.01 0.00 0.00 42.46 41.13 1s20 s ILE 264 CO -0.09 0.34 -0.06 0.00 0.00 0.00 0.00 174.94 175.13 1s20 s ALA 265 N -0.51 0.52 -0.06 9.38 0.00 -0.13 -1.51 121.76 129.45 1s20 s ALA 265 Ca 0.07 -0.25 0.02 0.00 0.00 0.00 0.00 51.96 51.80 1s20 s ALA 265 Cb -0.07 -0.15 0.01 0.00 0.00 0.00 0.00 23.12 22.91 1s20 s ALA 265 CO -0.00 0.12 -0.11 0.42 0.00 0.00 0.00 175.76 176.18 1s20 s ILE 266 N -0.07 1.03 0.19 0.00 1.01 -0.46 -0.28 121.20 122.62 1s20 s ILE 266 Ca 0.01 -0.43 -0.30 0.00 0.00 0.00 0.00 60.65 59.94 1s20 s ILE 266 Cb -0.03 -0.95 -0.08 0.00 0.01 0.00 0.00 42.46 41.41 1s20 s ILE 266 CO -0.00 0.33 1.15 -0.70 0.00 0.00 0.00 174.94 175.71 1s20 s GLU 267 N 0.64 4.55 -0.10 2.79 2.12 0.40 -0.68 118.70 128.42 1s20 s GLU 267 Ca -0.13 1.80 -0.11 0.00 0.36 0.00 0.00 54.97 56.89 1s20 s GLU 267 Cb -0.15 -3.25 -0.04 0.00 0.26 0.00 0.00 34.13 30.94 1s20 s GLU 267 CO 0.03 0.00 -0.23 0.28 -0.54 0.00 0.00 175.26 174.81 1s20 n VAL 268 N 2.34 1.35 0.18 3.70 0.31 -1.26 -4.70 118.33 120.24 1s20 n VAL 268 Ca 0.03 0.17 0.05 0.00 -0.01 0.00 0.00 64.34 64.58 1s20 n VAL 268 Cb 0.45 -2.03 0.26 0.00 -0.91 0.00 0.00 33.84 31.61 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 -0.65 0.00 0.35 4.52 3.32 -1.81 0.39 116.42 122.54 1s20 h ASP 269 Ca -0.07 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.98 1s20 h ASP 269 Cb 0.75 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.30 1s20 h ASP 269 CO -0.04 0.00 -0.91 0.29 -1.72 0.00 0.00 179.24 176.86 1s20 n LYS 270 N -2.02 0.16 -0.06 3.56 5.02 -1.26 -4.18 118.16 119.38 1s20 n LYS 270 Ca -0.01 -0.00 -0.01 0.00 -2.02 0.00 0.00 58.31 56.27 1s20 n LYS 270 Cb 0.48 -1.55 -0.15 0.00 -0.02 0.00 0.00 35.03 33.79 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 -1.76 0.00 -3.90 -0.35 4.77 0.13 -4.97 117.00 110.92 1s20 n LEU 271 Ca 0.03 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.89 1s20 n LEU 271 Cb 0.39 0.26 -0.14 0.00 -2.33 0.00 0.00 43.42 41.60 1s20 n LEU 271 CO 0.40 0.26 -0.37 -0.51 -1.33 0.00 0.00 177.39 175.84 1s20 s ILE 272 N -2.84 0.10 0.58 -0.08 2.07 -0.95 -5.14 121.20 114.94 1s20 s ILE 272 Ca -0.08 -0.17 -0.20 0.00 -1.41 0.00 0.00 60.65 58.78 1s20 s ILE 272 Cb 0.09 -0.12 -0.04 0.00 0.13 0.00 0.00 42.46 42.52 1s20 s ILE 272 CO 0.78 -0.05 1.31 -0.62 -1.91 0.00 0.00 174.94 174.45 1s20 s ASP 273 N -0.23 5.09 0.09 4.50 2.15 -1.26 -4.39 116.67 122.62 1s20 s ASP 273 Ca -0.02 2.65 -0.33 0.00 0.43 0.00 0.00 52.55 55.28 1s20 s ASP 273 Cb -0.02 -2.62 -0.15 0.00 -0.30 0.00 0.00 42.92 39.83 1s20 s ASP 273 CO -0.00 -1.68 1.52 1.23 -0.17 0.00 0.00 175.17 176.07 1s20 h GLY 274 N 1.13 -1.20 1.09 2.66 0.00 -1.98 0.26 103.07 105.03 1s20 h GLY 274 Ca -0.51 0.61 0.02 0.00 0.00 0.00 0.00 47.33 47.46 1s20 h GLY 274 CO 0.56 -0.32 0.57 -2.55 0.00 0.00 0.00 176.54 174.80 1s20 h PRO 275 N -0.81 1.08 -0.61 4.80 0.11 -1.99 -1.68 132.00 132.90 1s20 h PRO 275 Ca -0.03 -0.06 -0.06 0.00 0.11 0.00 0.00 66.00 65.96 1s20 h PRO 275 Cb 0.76 -0.24 -0.03 0.00 0.11 0.00 0.00 31.00 31.60 1s20 h PRO 275 CO -0.18 0.71 0.16 1.15 -0.21 0.00 0.00 178.00 179.63 1s20 h THR 276 N 1.11 1.25 0.02 -1.15 2.02 -1.87 0.34 112.91 114.63 1s20 h THR 276 Ca 0.33 -0.90 0.01 0.00 0.77 0.00 0.00 66.41 66.62 1s20 h THR 276 Cb -0.04 0.67 -0.01 0.00 -1.74 0.00 0.00 68.15 67.02 1s20 h THR 276 CO -0.09 0.34 -0.07 -0.09 0.37 0.00 0.00 175.52 175.98 1s20 h ARG 277 N 0.89 -0.13 -0.61 6.66 2.43 0.12 0.12 114.38 123.85 1s20 h ARG 277 Ca 0.19 0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.36 1s20 h ARG 277 Cb 0.34 0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.89 1s20 h ARG 277 CO 0.00 -0.08 0.34 -0.44 -1.51 0.00 0.00 179.97 178.28 1s20 h ASP 278 N -0.13 0.76 0.35 -3.80 3.45 -1.09 -1.78 116.42 114.18 1s20 h ASP 278 Ca 0.02 -0.09 -0.02 0.00 0.43 0.00 0.00 57.03 57.38 1s20 h ASP 278 Cb 0.16 -0.19 0.00 0.00 -0.56 0.00 0.00 39.33 38.74 1s20 h ASP 278 CO -0.06 0.63 -0.17 0.00 -1.57 0.00 0.00 179.24 178.07 1s20 h ALA 279 N 1.16 -0.47 -0.53 3.45 0.00 -0.65 -0.71 119.26 121.51 1s20 h ALA 279 Ca 0.22 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 54.96 1s20 h ALA 279 Cb 0.03 0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 1s20 h ALA 279 CO -0.04 -0.62 0.35 0.87 0.00 0.00 0.00 179.25 179.81 1s20 h LYS 280 N -0.75 0.69 0.00 0.00 1.57 -0.77 -0.96 116.57 116.34 1s20 h LYS 280 Ca -0.05 -0.04 -0.14 0.00 -1.87 0.00 0.00 60.65 58.56 1s20 h LYS 280 Cb 0.51 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.64 1s20 h LYS 280 CO 0.08 0.45 -0.65 -0.07 -0.57 0.00 0.00 179.45 178.69 1s20 h LEU 281 N 0.71 0.00 -0.27 2.94 4.07 -1.30 -2.65 115.31 118.80 1s20 h LEU 281 Ca 0.19 0.00 -0.21 0.00 0.08 0.00 0.00 57.88 57.95 1s20 h LEU 281 Cb -0.07 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 41.67 1s20 h LEU 281 CO -0.04 0.65 -0.86 -0.61 -1.08 0.00 0.00 178.44 176.49 1s20 h GLN 282 N 0.00 0.35 -0.48 1.13 5.75 -0.22 -3.23 115.11 118.41 1s20 h GLN 282 Ca -0.01 -0.35 -0.12 0.00 -0.15 0.00 0.00 58.65 58.02 1s20 h GLN 282 Cb 1.24 0.09 -0.01 0.00 1.07 0.00 0.00 27.48 29.87 1s20 h GLN 282 CO 0.08 1.02 -0.19 -0.09 -2.65 0.00 0.00 178.83 177.01 1s20 h ARG 283 N 0.21 0.97 -0.13 1.69 2.43 -1.12 -1.08 114.38 117.34 1s20 h ARG 283 Ca -0.06 -0.39 0.00 0.00 -0.81 0.00 0.00 59.98 58.72 1s20 h ARG 283 Cb 1.48 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.98 1s20 h ARG 283 CO 0.14 1.06 0.00 -0.89 -1.51 0.00 0.00 179.97 178.78 1s20 n ILE 284 N -4.12 0.00 0.00 1.20 5.41 -1.01 -1.53 119.36 119.32 1s20 n ILE 284 Ca 0.01 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.76 1s20 n ILE 284 Cb 0.44 -0.10 0.00 0.00 -0.71 0.00 0.00 39.64 39.27 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 0.35 0.00 0.26 4.38 8.00 -0.41 -2.54 116.55 126.58 1s20 n ASP 286 Ca 0.00 0.00 0.12 0.00 0.71 0.00 0.00 54.79 55.62 1s20 n ASP 286 Cb 0.03 0.00 0.72 0.00 -0.02 0.00 0.00 41.12 41.85 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 0.00 0.00 1.24 -0.00 -1.52 -0.63 116.97 116.06 1s20 h TYR 287 Ca 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 58.73 58.73 1s20 h TYR 287 Cb 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 36.73 36.73 1s20 h TYR 287 CO 0.00 0.11 -0.06 0.28 -0.00 0.00 0.00 178.16 178.49 1s20 h VAL 288 N 0.00 0.11 0.00 1.81 2.07 -1.76 -3.34 116.25 115.14 1s20 h VAL 288 Ca -0.00 -1.08 -0.00 0.00 0.82 0.00 0.00 66.70 66.43 1s20 h VAL 288 Cb 0.27 0.21 -0.00 0.00 -1.52 0.00 0.00 31.29 30.24 1s20 h VAL 288 CO 0.01 0.04 -0.02 0.71 0.02 0.00 0.00 177.57 178.33 1s20 h THR 289 N -1.00 0.48 -0.45 2.57 1.35 -1.81 -1.71 112.91 112.34 1s20 h THR 289 Ca -0.00 -0.08 0.00 0.00 -0.55 0.00 0.00 66.41 65.78 1s20 h THR 289 Cb 0.12 1.05 0.00 0.00 -1.73 0.00 0.00 68.15 67.59 1s20 h THR 289 CO -0.00 0.02 0.00 -1.54 -0.25 0.00 0.00 175.52 173.75 1s20 n SER 290 N -3.74 2.84 -4.79 5.36 3.41 -0.25 -4.59 113.62 111.86 1s20 n SER 290 Ca -0.03 -2.12 -0.36 0.00 -0.26 0.00 0.00 58.87 56.10 1s20 n SER 290 Cb 0.10 -0.38 -0.04 0.00 -0.26 0.00 0.00 64.21 63.63 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 -1.52 3.04 0.13 7.33 0.00 -0.65 -4.95 121.76 125.13 1s20 s ALA 291 Ca 0.32 0.67 -0.31 0.00 0.00 0.00 0.00 51.96 52.64 1s20 s ALA 291 Cb 0.19 -3.26 -0.11 0.00 0.00 0.00 0.00 23.12 19.94 1s20 s ALA 291 CO 0.19 -0.23 1.85 -2.00 0.00 0.00 0.00 175.76 175.57 1s20 s GLU 292 N -2.68 4.13 0.44 0.00 2.12 -1.26 -4.93 118.70 116.52 1s20 s GLU 292 Ca 0.60 2.62 -0.19 0.00 0.36 0.00 0.00 54.97 58.36 1s20 s GLU 292 Cb -0.20 -3.60 -0.10 0.00 0.26 0.00 0.00 34.13 30.49 1s20 s GLU 292 CO 0.25 -0.85 0.94 1.03 -0.54 0.00 0.00 175.26 176.09 1s20 s ARG 293 N 2.76 4.14 0.14 4.30 0.52 -1.26 -4.97 118.95 124.58 1s20 s ARG 293 Ca 0.82 1.05 -0.05 0.00 -0.52 0.00 0.00 55.73 57.02 1s20 s ARG 293 Cb -0.47 -2.19 -0.06 0.00 0.52 0.00 0.00 34.95 32.76 1s20 s ARG 293 CO 0.37 -0.08 1.34 0.00 0.02 0.00 0.00 175.30 176.95 1s20 h ALA 294 N 1.68 0.41 -3.44 2.13 0.00 -1.92 -3.40 119.26 114.73 1s20 h ALA 294 Ca -0.48 -0.67 -0.63 0.00 0.00 0.00 0.00 54.91 53.13 1s20 h ALA 294 Cb 1.18 -0.03 -0.37 0.00 0.00 0.00 0.00 17.79 18.58 1s20 h ALA 294 CO 0.61 0.78 -0.82 0.34 0.00 0.00 0.00 179.25 180.17 1s20 s ASP 295 N -7.06 3.50 0.54 0.00 -1.08 -1.26 -5.02 116.67 106.29 1s20 s ASP 295 Ca -0.06 -0.92 0.35 0.00 -0.52 0.00 0.00 52.55 51.39 1s20 s ASP 295 Cb 0.09 -1.31 1.52 0.00 -1.46 0.00 0.00 42.92 41.77 1s20 s ASP 295 CO 0.86 -0.13 1.84 -0.33 0.52 0.00 0.00 175.17 177.93 1s20 h GLU 296 N 7.94 0.00 -0.28 4.34 4.39 -2.01 0.15 114.58 129.12 1s20 h GLU 296 Ca -0.29 -0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.41 1s20 h GLU 296 Cb 1.10 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.74 1s20 h GLU 296 CO 0.50 0.00 0.00 0.09 -1.16 0.00 0.00 179.01 178.44 1s20 n ASN 297 N -4.22 2.82 -4.22 1.42 3.02 -1.26 -4.74 115.26 108.08 1s20 n ASN 297 Ca 0.23 -1.90 -0.42 0.00 -0.03 0.00 0.00 54.58 52.46 1s20 n ASN 297 Cb 1.13 -0.18 -0.07 0.00 -0.61 0.00 0.00 39.78 40.05 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 -1.65 2.81 0.65 3.52 2.00 0.52 -5.07 119.66 122.44 1s20 s GLN 298 Ca 0.36 -2.11 -0.18 0.00 -2.00 0.00 0.00 55.36 51.43 1s20 s GLN 298 Cb 0.21 -4.03 -0.01 0.00 0.80 0.00 0.00 33.01 29.98 1s20 s GLN 298 CO 0.30 -1.22 1.29 0.00 -0.50 0.00 0.00 175.29 175.16 1s20 n ALA 299 N 4.38 1.15 -2.56 1.58 0.00 -1.26 -4.72 120.51 119.07 1s20 n ALA 299 Ca 0.01 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.02 1s20 n ALA 299 Cb 0.41 -2.33 -0.02 0.00 0.00 0.00 0.00 19.45 17.52 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 -1.38 4.52 0.27 0.00 -1.09 -1.26 -5.02 121.20 117.23 1s20 s ILE 300 Ca 0.83 1.83 -0.12 0.00 -2.23 0.00 0.00 60.65 60.96 1s20 s ILE 300 Cb -0.38 -4.18 -0.08 0.00 -1.58 0.00 0.00 42.46 36.24 1s20 s ILE 300 CO 0.40 -0.16 0.63 -0.13 -1.23 0.00 0.00 174.94 174.45 1s20 s ARG 301 N 3.30 3.89 0.06 2.79 0.52 -1.26 -4.66 118.95 123.59 1s20 s ARG 301 Ca 0.48 0.44 0.03 0.00 -0.52 0.00 0.00 55.73 56.16 1s20 s ARG 301 Cb -0.18 -2.56 -0.04 0.00 0.52 0.00 0.00 34.95 32.69 1s20 s ARG 301 CO 0.10 0.25 0.03 -0.51 0.02 0.00 0.00 175.30 175.19 1s20 s LEU 302 N -2.88 3.62 0.01 2.53 1.43 -1.26 -5.01 118.68 117.12 1s20 s LEU 302 Ca 0.50 -0.06 -0.30 0.00 -1.03 0.00 0.00 54.13 53.24 1s20 s LEU 302 Cb -0.11 -2.26 -0.07 0.00 0.03 0.00 0.00 46.19 43.78 1s20 s LEU 302 CO 0.20 0.20 1.69 -2.16 0.23 0.00 0.00 176.35 176.51 1s20 s PRO 303 N -2.13 4.19 0.00 1.29 0.04 -1.26 -2.97 135.00 134.15 1s20 s PRO 303 Ca 0.25 2.30 0.00 0.00 0.04 0.00 0.00 61.00 63.59 1s20 s PRO 303 Cb -0.12 -3.85 0.00 0.00 0.04 0.00 0.00 34.50 30.57 1s20 s PRO 303 CO 0.17 -0.81 0.00 0.41 0.04 0.00 0.00 177.00 176.81 1s20 n GLY 304 N 4.12 2.50 0.22 0.56 0.00 -1.26 -4.53 105.19 106.79 1s20 n GLY 304 Ca 0.17 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.34 1s20 n GLY 304 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 1s20 h HIS 305 N 0.00 0.00 0.00 1.61 3.86 -1.71 -1.18 115.15 117.73 1s20 h HIS 305 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 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 0.00 0.00 1.05 0.86 0.00 0.00 177.93 179.84 1s20 h GLU 306 N 0.00 0.00 -0.00 2.45 9.09 -1.90 -3.19 114.58 121.03 1s20 h GLU 306 Ca 0.00 0.00 -0.10 0.00 0.05 0.00 0.00 59.36 59.31 1s20 h GLU 306 Cb 0.08 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.17 1s20 h GLU 306 CO 0.00 0.00 -0.47 0.74 0.05 0.00 0.00 179.01 179.33 1s20 h PHE 307 N 0.00 0.01 -0.35 2.06 0.04 -1.55 -1.00 116.94 116.15 1s20 h PHE 307 Ca 0.00 -0.00 -0.16 0.00 2.80 0.00 0.00 57.97 60.61 1s20 h PHE 307 Cb 0.86 -0.00 -0.00 0.00 2.20 0.00 0.00 35.95 39.00 1s20 h PHE 307 CO 0.00 0.48 -0.39 1.15 -0.60 0.00 0.00 178.31 178.95 1s20 h THR 308 N 0.00 1.28 -0.03 -1.55 2.02 -1.69 -1.98 112.91 110.95 1s20 h THR 308 Ca -0.00 -1.56 -0.01 0.00 0.77 0.00 0.00 66.41 65.60 1s20 h THR 308 Cb 0.84 1.46 -0.00 0.00 -1.74 0.00 0.00 68.15 68.71 1s20 h THR 308 CO 0.06 0.52 -0.02 0.74 0.37 0.00 0.00 175.52 177.19 1s20 h THR 309 N 0.69 1.35 -0.55 3.16 2.02 -1.60 -2.52 112.91 115.45 1s20 h THR 309 Ca 0.05 -1.08 0.04 0.00 0.77 0.00 0.00 66.41 66.19 1s20 h THR 309 Cb 0.98 2.01 -0.04 0.00 -1.74 0.00 0.00 68.15 69.37 1s20 h THR 309 CO 0.09 0.29 0.30 -0.07 0.37 0.00 0.00 175.52 176.51 1s20 h LEU 310 N -0.36 0.46 -0.31 2.58 3.38 -1.23 -1.25 115.31 118.59 1s20 h LEU 310 Ca 0.01 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1s20 h LEU 310 Cb 0.48 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.14 1s20 h LEU 310 CO 0.01 0.32 0.20 0.25 0.09 0.00 0.00 178.44 179.31 1s20 h LEU 311 N 0.59 0.35 0.18 1.67 5.85 -1.38 -1.91 115.31 120.67 1s20 h LEU 311 Ca 0.24 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.95 1s20 h LEU 311 Cb 0.10 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.03 1s20 h LEU 311 CO -0.14 0.25 -0.18 0.00 -0.34 0.00 0.00 178.44 178.03 1s20 h ALA 312 N 1.12 -0.37 -0.13 1.25 0.00 -1.10 -2.71 119.26 117.31 1s20 h ALA 312 Ca 0.11 -0.05 0.04 0.00 0.00 0.00 0.00 54.91 55.02 1s20 h ALA 312 Cb -0.04 0.26 -0.07 0.00 0.00 0.00 0.00 17.79 17.94 1s20 h ALA 312 CO -0.03 -0.73 -0.41 1.49 0.00 0.00 0.00 179.25 179.57 1s20 h GLU 313 N -0.40 -0.46 0.00 0.00 4.81 -1.05 0.03 114.58 117.51 1s20 h GLU 313 Ca 0.00 0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.26 1s20 h GLU 313 Cb 0.37 0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.86 1s20 h GLU 313 CO -0.05 -0.31 0.14 -0.91 -0.73 0.00 0.00 179.01 177.16 1s20 h ASN 314 N -0.48 0.00 0.13 1.04 -0.26 -1.27 0.38 115.58 115.11 1s20 h ASN 314 Ca 0.08 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.82 1s20 h ASN 314 Cb 0.62 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.88 1s20 h ASN 314 CO -0.39 0.00 -0.24 0.54 -1.06 0.00 0.00 177.43 176.27 1s20 n ARG 315 N -2.67 1.14 -0.03 0.81 5.12 -0.03 -2.92 116.66 118.08 1s20 n ARG 315 Ca -0.02 -0.76 -0.08 0.00 -1.93 0.00 0.00 57.85 55.06 1s20 n ARG 315 Cb 0.19 -1.48 -0.03 0.00 -1.16 0.00 0.00 32.46 29.98 1s20 n ARG 315 CO 0.00 0.00 0.00 -2.13 -1.93 0.00 0.00 177.63 173.57 1s20 n ARG 316 N -0.26 0.22 0.06 5.56 0.63 0.12 -4.75 116.66 118.23 1s20 n ARG 316 Ca 0.13 0.09 0.12 0.00 -0.92 0.00 0.00 57.85 57.27 1s20 n ARG 316 Cb 0.39 -0.87 0.15 0.00 0.45 0.00 0.00 32.46 32.58 1s20 n ARG 316 CO 0.00 0.00 0.00 -0.91 -2.51 0.00 0.00 177.63 174.21 1s20 h ASN 317 N -0.38 0.00 -5.00 6.15 2.35 -1.38 -3.50 115.58 113.81 1s20 h ASN 317 Ca -0.17 -0.22 0.00 0.00 -0.55 0.00 0.00 56.30 55.37 1s20 h ASN 317 Cb 0.91 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.28 1s20 h ASN 317 CO -0.10 0.11 0.00 0.61 -1.65 0.00 0.00 177.43 176.40 1s20 n GLY 318 N 1.33 2.32 3.73 2.83 0.00 -1.15 -5.00 105.19 109.26 1s20 n GLY 318 Ca 0.03 -1.80 -0.41 0.00 0.00 0.00 0.00 46.02 43.84 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 -2.34 3.69 -0.22 -0.61 1.01 -1.21 -4.65 121.20 116.87 1s20 s ILE 319 Ca 0.00 1.36 -0.02 0.00 0.00 0.00 0.00 60.65 61.98 1s20 s ILE 319 Cb 0.00 -3.87 0.01 0.00 0.01 0.00 0.00 42.46 38.61 1s20 s ILE 319 CO 0.00 0.19 -0.09 -0.89 0.00 0.00 0.00 174.94 174.15 1s20 s THR 320 N 0.26 2.90 0.20 2.92 2.01 -1.26 -1.31 115.64 121.36 1s20 s THR 320 Ca 0.55 -0.73 0.11 0.00 0.31 0.00 0.00 61.69 61.92 1s20 s THR 320 Cb -0.32 -2.33 -0.04 0.00 0.01 0.00 0.00 72.50 69.81 1s20 s THR 320 CO 0.34 0.40 -0.20 0.68 -0.69 0.00 0.00 174.62 175.15 1s20 s VAL 321 N 1.39 2.54 0.27 3.82 -7.23 -1.26 -5.02 120.40 114.91 1s20 s VAL 321 Ca 0.04 -2.01 -0.30 0.00 -1.81 0.00 0.00 61.98 57.91 1s20 s VAL 321 Cb -0.14 -2.24 -0.10 0.00 0.56 0.00 0.00 36.38 34.45 1s20 s VAL 321 CO -0.06 -0.15 1.34 -1.81 -0.31 0.00 0.00 175.10 174.10 1s20 s ASP 322 N -2.82 6.79 0.25 4.85 -0.00 -1.26 -4.73 116.67 119.75 1s20 s ASP 322 Ca 0.23 2.59 -0.06 0.00 -0.00 0.00 0.00 52.55 55.30 1s20 s ASP 322 Cb -0.08 -2.63 0.25 0.00 -0.00 0.00 0.00 42.92 40.46 1s20 s ASP 322 CO 0.12 -0.57 1.92 0.44 -0.00 0.00 0.00 175.17 177.08 1s20 h ASP 323 N 4.44 1.13 -0.13 0.27 3.32 -1.99 -1.75 116.42 121.72 1s20 h ASP 323 Ca -0.47 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 56.55 1s20 h ASP 323 Cb 1.22 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 40.48 1s20 h ASP 323 CO 0.72 0.83 0.08 0.77 -1.72 0.00 0.00 179.24 179.92 1s20 h SER 324 N 1.33 0.15 -0.34 6.45 4.64 -2.00 -1.16 113.55 122.63 1s20 h SER 324 Ca 0.36 -0.02 -0.01 0.00 -0.47 0.00 0.00 61.79 61.64 1s20 h SER 324 Cb -0.14 -0.04 -0.02 0.00 -0.31 0.00 0.00 62.40 61.89 1s20 h SER 324 CO -0.08 0.13 0.16 0.58 -0.87 0.00 0.00 176.83 176.76 1s20 h VAL 325 N 0.16 1.16 -0.78 0.95 2.07 -1.90 -2.17 116.25 115.74 1s20 h VAL 325 Ca 0.05 -0.47 0.03 0.00 0.82 0.00 0.00 66.70 67.13 1s20 h VAL 325 Cb 0.00 0.84 -0.04 0.00 -1.52 0.00 0.00 31.29 30.57 1s20 h VAL 325 CO -0.01 0.17 0.51 -0.25 0.02 0.00 0.00 177.57 178.02 1s20 h TRP 326 N 0.42 0.94 -0.39 1.57 2.91 -1.14 -2.21 115.95 118.04 1s20 h TRP 326 Ca 0.12 0.02 -0.07 0.00 1.13 0.00 0.00 58.89 60.09 1s20 h TRP 326 Cb 0.12 -0.32 -0.01 0.00 -0.51 0.00 0.00 29.16 28.44 1s20 h TRP 326 CO -0.02 0.56 -0.02 0.00 -1.03 0.00 0.00 178.44 177.93 1s20 h ALA 327 N 1.54 0.53 -0.63 2.65 0.00 -0.94 -2.60 119.26 119.80 1s20 h ALA 327 Ca 0.30 -0.27 0.05 0.00 0.00 0.00 0.00 54.91 54.99 1s20 h ALA 327 Cb -0.00 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 17.60 1s20 h ALA 327 CO -0.08 0.33 0.36 0.87 0.00 0.00 0.00 179.25 180.72 1s20 h LYS 328 N 0.52 0.66 -0.83 0.00 1.57 -0.85 0.07 116.57 117.71 1s20 h LYS 328 Ca 0.11 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.84 1s20 h LYS 328 Cb 0.51 -0.15 -0.04 0.00 0.08 0.00 0.00 32.23 32.63 1s20 h LYS 328 CO 0.02 0.44 0.49 0.82 -0.57 0.00 0.00 179.45 180.65 1s20 h ILE 329 N 0.68 1.24 -0.54 1.86 2.04 -1.33 -1.48 117.51 119.97 1s20 h ILE 329 Ca 0.27 -0.54 -0.06 0.00 1.00 0.00 0.00 64.86 65.54 1s20 h ILE 329 Cb 0.13 0.07 -0.02 0.00 -0.74 0.00 0.00 36.82 36.26 1s20 h ILE 329 CO -0.15 0.25 0.10 1.56 0.00 0.00 0.00 178.15 179.91 1s20 h GLN 330 N 1.16 0.85 -0.06 2.37 1.08 -0.77 -2.37 115.11 117.36 1s20 h GLN 330 Ca 0.30 -0.19 -0.03 0.00 -1.45 0.00 0.00 58.65 57.28 1s20 h GLN 330 Cb -0.02 -0.12 -0.01 0.00 -0.05 0.00 0.00 27.48 27.28 1s20 h GLN 330 CO -0.05 0.78 -0.09 0.00 -0.95 0.00 0.00 178.83 178.51 1s20 h ALA 331 N 1.30 1.73 0.00 3.87 0.00 0.00 -1.91 119.26 124.25 1s20 h ALA 331 Ca 0.17 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 1s20 h ALA 331 Cb 0.34 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 1s20 h ALA 331 CO 0.00 0.20 -0.02 -0.07 0.00 0.00 0.00 179.25 179.37 1s20 h LEU 332 N 0.09 0.00 -3.56 0.00 3.38 -0.96 -2.32 115.31 111.93 1s20 h LEU 332 Ca 0.02 0.00 -0.42 0.00 0.09 0.00 0.00 57.88 57.57 1s20 h LEU 332 Cb 0.23 0.00 -0.20 0.00 0.09 0.00 0.00 40.66 40.77 1s20 h LEU 332 CO 0.01 0.02 0.54 0.18 0.09 0.00 0.00 178.44 179.29 1s20 n LEU 333 N -3.58 6.43 0.00 1.67 4.77 -0.72 -5.05 117.00 120.53 1s20 n LEU 333 Ca -0.03 -3.41 0.00 0.00 -0.03 0.00 0.00 56.01 52.55 1s20 n LEU 333 Cb 0.11 -0.91 0.00 0.00 -2.33 0.00 0.00 43.42 40.29 1s20 n LEU 333 CO 0.26 1.15 0.01 -0.62 -1.33 0.00 0.00 177.39 176.86