#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2h3c s LYS 2 N 0.00 0.87 -0.13 2.12 -2.85 -1.26 -5.16 119.74 113.33 2h3c s LYS 2 Ca 0.00 0.58 -0.00 0.00 -1.00 0.00 0.00 55.97 55.55 2h3c s LYS 2 Cb 0.00 0.42 -0.01 0.00 -2.06 0.00 0.00 37.83 36.18 2h3c s LYS 2 CO 0.00 -0.19 -0.14 -1.14 0.10 0.00 0.00 175.35 173.98 2h3c s GLN 3 N -0.37 3.35 -0.74 1.78 2.00 -1.26 -5.06 119.66 119.37 2h3c s GLN 3 Ca -0.05 -0.70 -0.27 0.00 -2.00 0.00 0.00 55.36 52.34 2h3c s GLN 3 Cb -0.03 -2.63 0.02 0.00 0.80 0.00 0.00 33.01 31.18 2h3c s GLN 3 CO 0.05 0.18 1.39 0.50 -0.50 0.00 0.00 175.29 176.90 2h3c s ARG 4 N 0.44 3.12 -0.37 1.67 3.52 -1.26 -4.95 118.95 121.12 2h3c s ARG 4 Ca -0.10 -0.15 -0.18 0.00 -0.13 0.00 0.00 55.73 55.17 2h3c s ARG 4 Cb -0.16 -4.28 0.00 0.00 -1.56 0.00 0.00 34.95 28.95 2h3c s ARG 4 CO 0.05 -2.26 0.48 0.96 -0.81 0.00 0.00 175.30 173.73 2h3c s ILE 5 N 6.27 5.04 -0.16 4.11 -4.36 -1.26 -5.04 121.20 125.79 2h3c s ILE 5 Ca 0.41 0.16 0.02 0.00 -0.26 0.00 0.00 60.65 60.98 2h3c s ILE 5 Cb -0.08 -3.97 0.01 0.00 1.25 0.00 0.00 42.46 39.67 2h3c s ILE 5 CO 0.14 -0.26 -0.20 0.28 0.24 0.00 0.00 174.94 175.15 2h3c s THR 6 N 2.32 2.13 -0.46 8.37 -1.32 -1.26 -5.07 115.64 120.35 2h3c s THR 6 Ca 0.17 -0.94 -0.16 0.00 -1.21 0.00 0.00 61.69 59.55 2h3c s THR 6 Cb -0.16 -1.87 0.05 0.00 -1.51 0.00 0.00 72.50 69.02 2h3c s THR 6 CO 0.14 0.54 0.40 0.54 -2.21 0.00 0.00 174.62 174.02 2h3c s VAL 7 N 1.04 5.20 -0.75 5.08 0.11 -1.26 -4.96 120.40 124.85 2h3c s VAL 7 Ca -0.01 -0.86 -0.19 0.00 -2.93 0.00 0.00 61.98 57.99 2h3c s VAL 7 Cb -0.14 -4.09 -0.14 0.00 -1.53 0.00 0.00 36.38 30.47 2h3c s VAL 7 CO -0.07 -0.52 1.93 0.35 -3.33 0.00 0.00 175.10 173.46 2h3c n THR 8 N 5.25 1.83 0.00 5.04 -2.24 -1.26 -4.82 114.28 118.08 2h3c n THR 8 Ca -0.11 -1.48 0.00 0.00 -2.27 0.00 0.00 64.05 60.19 2h3c n THR 8 Cb 0.45 -2.26 0.00 0.00 -2.10 0.00 0.00 70.33 66.42 2h3c n THR 8 CO 0.00 0.00 0.00 0.55 -0.57 0.00 0.00 175.07 175.05 2h3c n VAL 9 N 5.70 0.00 -0.31 2.28 3.14 -1.26 -4.75 118.33 123.13 2h3c n VAL 9 Ca 0.48 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.86 2h3c n VAL 9 Cb 0.35 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.13 2h3c n VAL 9 CO 0.00 0.00 0.00 -0.67 -6.46 0.00 0.00 176.83 169.70 2h3c n ASP 10 N 0.00 0.00 0.00 6.55 2.03 -1.26 -4.76 116.55 119.11 2h3c n ASP 10 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 2h3c n ASP 10 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 2h3c n ASP 10 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 2h3c n SER 11 N 0.00 0.00 0.00 1.67 7.64 -1.26 -4.94 113.62 116.73 2h3c n SER 11 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 2h3c n SER 11 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 2h3c n SER 11 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2h3c n ASP 12 N -2.04 0.00 0.00 6.43 8.00 -1.26 -4.78 116.55 122.90 2h3c n ASP 12 Ca 0.00 0.41 0.00 0.00 0.71 0.00 0.00 54.79 55.91 2h3c n ASP 12 Cb 0.00 -0.09 0.00 0.00 -0.02 0.00 0.00 41.12 41.01 2h3c n ASP 12 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 2h3c n SER 13 N -1.32 0.00 -0.04 -2.24 7.64 -1.26 -5.07 113.62 111.33 2h3c n SER 13 Ca 0.00 0.00 -0.19 0.00 1.01 0.00 0.00 58.87 59.69 2h3c n SER 13 Cb 0.00 0.00 -0.13 0.00 -1.01 0.00 0.00 64.21 63.07 2h3c n SER 13 CO 0.00 0.00 0.00 0.22 -3.01 0.00 0.00 175.04 172.25 2h3c h TYR 14 N 0.00 0.22 -1.02 1.43 3.20 -1.95 -3.39 116.97 115.47 2h3c h TYR 14 Ca 0.00 -0.16 0.25 0.00 3.14 0.00 0.00 58.73 61.96 2h3c h TYR 14 Cb 0.00 -0.01 -0.11 0.00 1.54 0.00 0.00 36.73 38.15 2h3c h TYR 14 CO 0.00 1.36 0.62 1.96 -1.64 0.00 0.00 178.16 180.45 2h3c h GLN 15 N -0.68 0.53 0.07 1.82 4.20 -1.96 -2.14 115.11 116.95 2h3c h GLN 15 Ca -0.21 -0.03 0.02 0.00 0.06 0.00 0.00 58.65 58.49 2h3c h GLN 15 Cb 1.42 -0.12 -0.05 0.00 0.30 0.00 0.00 27.48 29.03 2h3c h GLN 15 CO -0.01 0.35 -0.43 1.25 -0.67 0.00 0.00 178.83 179.32 2h3c h LEU 16 N 0.55 -1.28 -0.68 1.46 6.46 -1.98 1.82 115.31 121.66 2h3c h LEU 16 Ca 0.62 0.15 0.08 0.00 -0.12 0.00 0.00 57.88 58.61 2h3c h LEU 16 Cb 1.28 0.49 -0.06 0.00 -0.73 0.00 0.00 40.66 41.63 2h3c h LEU 16 CO -0.41 -0.48 0.34 0.25 -0.62 0.00 0.00 178.44 177.52 2h3c h LEU 17 N -0.63 0.46 -0.45 2.25 6.46 -1.63 -0.99 115.31 120.78 2h3c h LEU 17 Ca 0.03 0.05 -0.10 0.00 -0.12 0.00 0.00 57.88 57.74 2h3c h LEU 17 Cb 0.68 -0.03 -0.01 0.00 -0.73 0.00 0.00 40.66 40.56 2h3c h LEU 17 CO -0.28 0.28 -0.46 0.07 -0.62 0.00 0.00 178.44 177.44 2h3c h LYS 18 N 0.61 0.00 -0.49 1.25 2.10 -1.26 -1.06 116.57 117.72 2h3c h LYS 18 Ca 0.32 0.00 0.14 0.00 -2.00 0.00 0.00 60.65 59.11 2h3c h LYS 18 Cb 0.30 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.61 2h3c h LYS 18 CO -0.24 0.46 0.37 0.00 -2.00 0.00 0.00 179.45 178.04 2h3c h ALA 19 N 1.54 2.41 0.06 0.07 0.00 0.42 -0.35 119.26 123.41 2h3c h ALA 19 Ca -0.00 -0.02 -0.25 0.00 0.00 0.00 0.00 54.91 54.64 2h3c h ALA 19 Cb 1.17 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.98 2h3c h ALA 19 CO 0.06 -0.62 -1.32 1.88 0.00 0.00 0.00 179.25 179.25 2h3c h TYR 20 N 0.00 0.23 0.00 0.00 0.05 -1.43 -3.49 116.97 112.33 2h3c h TYR 20 Ca 0.23 -0.17 0.00 0.00 0.05 0.00 0.00 58.73 58.84 2h3c h TYR 20 Cb 0.97 -0.01 0.00 0.00 1.01 0.00 0.00 36.73 38.70 2h3c h TYR 20 CO 0.00 1.52 0.00 -0.25 -1.05 0.00 0.00 178.16 178.38 2h3c n ASP 21 N -4.12 0.00 -3.83 3.88 9.92 -0.14 -5.11 116.55 117.14 2h3c n ASP 21 Ca -0.28 0.00 -0.31 0.00 -0.53 0.00 0.00 54.79 53.67 2h3c n ASP 21 Cb 0.80 0.00 -0.08 0.00 -0.64 0.00 0.00 41.12 41.19 2h3c n ASP 21 CO 0.00 0.00 0.00 0.52 0.13 0.00 0.00 177.20 177.85 2h3c n VAL 22 N 0.00 2.49 -0.28 2.53 0.31 -0.42 -4.95 118.33 118.01 2h3c n VAL 22 Ca 0.00 -5.12 -0.02 0.00 -0.01 0.00 0.00 64.34 59.19 2h3c n VAL 22 Cb 0.00 -2.21 -0.03 0.00 -0.91 0.00 0.00 33.84 30.69 2h3c n VAL 22 CO 0.00 0.00 0.00 -0.46 -1.32 0.00 0.00 176.83 175.05 2h3c n ASN 23 N 1.69 2.08 0.00 4.52 0.23 -1.26 -3.84 115.26 118.68 2h3c n ASN 23 Ca 0.24 -1.70 0.00 0.00 -0.53 0.00 0.00 54.58 52.59 2h3c n ASN 23 Cb 0.37 -0.49 0.00 0.00 -2.08 0.00 0.00 39.78 37.58 2h3c n ASN 23 CO 0.00 0.00 0.00 2.30 -0.93 0.00 0.00 177.26 178.63 2h3c n ILE 24 N 2.24 0.00 -0.25 1.53 -6.64 -1.26 -4.75 119.36 110.23 2h3c n ILE 24 Ca 0.07 0.00 -0.07 0.00 -1.77 0.00 0.00 62.75 60.99 2h3c n ILE 24 Cb 0.27 0.00 -0.06 0.00 -1.44 0.00 0.00 39.64 38.41 2h3c n ILE 24 CO 0.00 0.00 0.00 -1.54 -1.77 0.00 0.00 176.55 173.24 2h3c n SER 25 N 0.31 -0.63 0.13 7.28 3.41 -1.26 0.95 113.62 123.81 2h3c n SER 25 Ca 0.00 1.39 0.09 0.00 -0.26 0.00 0.00 58.87 60.09 2h3c n SER 25 Cb 0.00 -0.30 0.04 0.00 -0.26 0.00 0.00 64.21 63.68 2h3c n SER 25 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 2h3c h GLY 26 N 0.00 0.00 0.33 5.00 0.00 -1.98 -3.28 103.07 103.15 2h3c h GLY 26 Ca 0.10 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.41 2h3c h GLY 26 CO -0.56 0.00 -0.16 -2.00 0.00 0.00 0.00 176.54 173.82 2h3c h LEU 27 N 0.00 -0.38 0.09 3.11 6.46 -1.48 -1.39 115.31 121.73 2h3c h LEU 27 Ca -0.02 0.01 0.01 0.00 -0.12 0.00 0.00 57.88 57.76 2h3c h LEU 27 Cb 1.13 0.10 -0.04 0.00 -0.73 0.00 0.00 40.66 41.12 2h3c h LEU 27 CO 0.01 -0.06 -0.42 0.58 -0.62 0.00 0.00 178.44 177.93 2h3c h VAL 28 N -0.87 0.00 -1.10 1.05 2.07 0.39 0.87 116.25 118.66 2h3c h VAL 28 Ca -0.05 0.00 0.31 0.00 0.82 0.00 0.00 66.70 67.79 2h3c h VAL 28 Cb 0.34 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 30.06 2h3c h VAL 28 CO 0.08 0.00 0.78 0.77 0.02 0.00 0.00 177.57 179.22 2h3c h SER 29 N -0.59 0.08 0.12 0.57 4.64 -1.66 1.05 113.55 117.76 2h3c h SER 29 Ca -0.00 0.01 -0.01 0.00 -0.47 0.00 0.00 61.79 61.32 2h3c h SER 29 Cb 0.59 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.69 2h3c h SER 29 CO -0.23 0.01 -0.06 0.74 -0.87 0.00 0.00 176.83 176.43 2h3c h THR 30 N 0.07 0.35 -0.70 2.95 2.02 0.30 -3.17 112.91 114.72 2h3c h THR 30 Ca 0.54 -1.09 0.12 0.00 0.77 0.00 0.00 66.41 66.75 2h3c h THR 30 Cb 2.03 0.63 -0.08 0.00 -1.74 0.00 0.00 68.15 68.99 2h3c h THR 30 CO -0.06 0.11 0.29 0.74 0.37 0.00 0.00 175.52 176.97 2h3c h THR 31 N -1.01 0.74 -0.84 3.16 2.02 0.18 -1.27 112.91 115.89 2h3c h THR 31 Ca -0.02 -0.16 0.19 0.00 0.77 0.00 0.00 66.41 67.19 2h3c h THR 31 Cb 0.30 0.22 -0.11 0.00 -1.74 0.00 0.00 68.15 66.82 2h3c h THR 31 CO 0.03 0.09 0.34 0.24 0.37 0.00 0.00 175.52 176.58 2h3c h MET 32 N 0.48 0.40 -0.10 6.66 2.86 1.00 0.49 114.93 126.71 2h3c h MET 32 Ca 0.37 -0.02 -0.01 0.00 -2.06 0.00 0.00 59.70 57.98 2h3c h MET 32 Cb 0.49 -0.09 -0.00 0.00 0.06 0.00 0.00 31.60 32.05 2h3c h MET 32 CO -0.34 0.27 0.03 0.37 1.06 0.00 0.00 176.91 178.30 2h3c h GLN 33 N 0.41 0.15 0.33 1.72 4.15 -1.20 1.63 115.11 122.29 2h3c h GLN 33 Ca 0.49 -0.03 -0.02 0.00 0.77 0.00 0.00 58.65 59.87 2h3c h GLN 33 Cb 0.86 -0.02 0.00 0.00 0.21 0.00 0.00 27.48 28.53 2h3c h GLN 33 CO -0.48 0.28 -0.16 -0.97 -1.93 0.00 0.00 178.83 175.57 2h3c h ASN 34 N -0.02 -0.37 -0.75 -0.69 -1.24 -1.05 0.74 115.58 112.21 2h3c h ASN 34 Ca 0.03 -0.01 -0.01 0.00 0.71 0.00 0.00 56.30 57.01 2h3c h ASN 34 Cb 0.19 0.10 -0.04 0.00 0.73 0.00 0.00 38.32 39.30 2h3c h ASN 34 CO -0.00 -0.23 0.41 -0.08 -1.29 0.00 0.00 177.43 176.23 2h3c h GLU 35 N -0.48 1.04 -0.60 6.67 4.57 -0.03 0.76 114.58 126.51 2h3c h GLU 35 Ca -0.04 -0.12 0.03 0.00 -1.18 0.00 0.00 59.36 58.04 2h3c h GLU 35 Cb 0.36 -0.20 -0.04 0.00 -0.16 0.00 0.00 28.75 28.71 2h3c h GLU 35 CO 0.07 0.77 0.36 0.00 -1.18 0.00 0.00 179.01 179.04 2h3c h ALA 36 N 1.21 0.77 0.24 2.92 0.00 0.27 0.88 119.26 125.55 2h3c h ALA 36 Ca 0.26 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 2h3c h ALA 36 Cb 0.04 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.66 2h3c h ALA 36 CO -0.04 0.08 -0.12 0.00 0.00 0.00 0.00 179.25 179.18 2h3c h ARG 37 N 0.70 -0.31 -0.76 0.00 3.08 0.11 -3.20 114.38 114.00 2h3c h ARG 37 Ca 0.24 0.02 0.07 0.00 0.07 0.00 0.00 59.98 60.38 2h3c h ARG 37 Cb 0.04 0.07 -0.05 0.00 0.08 0.00 0.00 29.97 30.11 2h3c h ARG 37 CO -0.11 0.05 0.50 0.00 -1.07 0.00 0.00 179.97 179.34 2h3c h ARG 38 N -0.80 0.77 -0.62 0.04 2.47 0.69 -3.46 114.38 113.47 2h3c h ARG 38 Ca -0.03 -0.05 0.00 0.00 -1.26 0.00 0.00 59.98 58.64 2h3c h ARG 38 Cb 0.51 -0.17 0.00 0.00 -1.65 0.00 0.00 29.97 28.65 2h3c h ARG 38 CO 0.05 0.51 0.00 -0.11 0.56 0.00 0.00 179.97 180.99 2h3c n LEU 39 N -4.48 0.00 -4.67 3.04 0.00 0.30 -4.65 117.00 106.53 2h3c n LEU 39 Ca 0.11 0.00 -0.49 0.00 0.00 0.00 0.00 56.01 55.63 2h3c n LEU 39 Cb 0.23 0.00 -0.05 0.00 0.00 0.00 0.00 43.42 43.60 2h3c n LEU 39 CO 0.33 0.00 1.31 -2.11 0.00 0.00 0.00 177.39 176.92 2h3c n ARG 40 N 0.11 1.93 0.00 1.96 1.85 -1.26 -4.91 116.66 116.34 2h3c n ARG 40 Ca 0.00 0.70 0.00 0.00 -1.00 0.00 0.00 57.85 57.55 2h3c n ARG 40 Cb 0.00 -2.48 0.00 0.00 -1.05 0.00 0.00 32.46 28.93 2h3c n ARG 40 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2h3c n ALA 41 N 4.98 -0.01 -2.81 2.89 0.00 -1.26 -4.51 120.51 119.79 2h3c n ALA 41 Ca 0.21 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.58 2h3c n ALA 41 Cb 0.26 0.48 0.01 0.00 0.00 0.00 0.00 19.45 20.20 2h3c n ALA 41 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2h3c n GLU 42 N -2.90 0.57 -1.07 0.00 2.13 -1.26 -5.13 120.64 112.99 2h3c n GLU 42 Ca 0.00 -2.08 0.00 0.00 0.66 0.00 0.00 57.16 55.74 2h3c n GLU 42 Cb 0.00 -1.48 0.00 0.00 0.27 0.00 0.00 31.44 30.23 2h3c n GLU 42 CO 0.00 0.00 0.00 -2.13 -0.41 0.00 0.00 177.13 174.59 2h3c n ARG 43 N 2.64 -3.02 -0.33 5.31 0.63 -1.26 -5.06 116.66 115.56 2h3c n ARG 43 Ca 0.17 2.27 0.00 0.00 -0.92 0.00 0.00 57.85 59.37 2h3c n ARG 43 Cb 0.57 -2.60 0.00 0.00 0.45 0.00 0.00 32.46 30.88 2h3c n ARG 43 CO 0.00 0.00 0.00 1.87 -2.51 0.00 0.00 177.63 176.99 2h3c n TRP 44 N -1.17 -0.89 -2.66 -0.14 -0.00 -1.26 -5.09 117.44 106.23 2h3c n TRP 44 Ca 0.00 0.47 -0.03 0.00 -0.00 0.00 0.00 57.50 57.93 2h3c n TRP 44 Cb 0.06 -1.71 0.05 0.00 -0.00 0.00 0.00 31.31 29.70 2h3c n TRP 44 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 177.69 178.86 2h3c n LYS 45 N -0.63 0.08 0.00 5.87 0.00 -1.26 -4.84 118.16 117.38 2h3c n LYS 45 Ca 0.00 -0.70 0.00 0.00 0.00 0.00 0.00 58.31 57.61 2h3c n LYS 45 Cb 0.00 0.13 0.00 0.00 0.00 0.00 0.00 35.03 35.16 2h3c n LYS 45 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.40 178.95 2h3c n VAL 46 N 2.30 0.00 0.00 3.15 3.14 -1.26 -5.03 118.33 120.62 2h3c n VAL 46 Ca 0.09 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.47 2h3c n VAL 46 Cb 0.67 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.45 2h3c n VAL 46 CO 0.00 0.00 0.00 1.21 -6.46 0.00 0.00 176.83 171.58 2h3c n GLU 47 N 0.00 0.00 -3.55 1.45 0.00 -1.26 -4.70 120.64 112.59 2h3c n GLU 47 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 57.16 56.96 2h3c n GLU 47 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 31.44 31.41 2h3c n GLU 47 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.13 175.42 2h3c n ASN 48 N 1.24 2.72 -4.81 4.31 2.85 -1.26 -5.13 115.26 115.17 2h3c n ASN 48 Ca 0.00 -2.38 -0.38 0.00 -0.11 0.00 0.00 54.58 51.71 2h3c n ASN 48 Cb 0.00 0.17 -0.06 0.00 1.24 0.00 0.00 39.78 41.13 2h3c n ASN 48 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2h3c s GLN 49 N -3.24 4.09 -0.07 1.20 -2.07 -1.26 -5.09 119.66 113.23 2h3c s GLN 49 Ca 0.05 0.57 0.02 0.00 -1.82 0.00 0.00 55.36 54.18 2h3c s GLN 49 Cb -0.00 -3.25 0.02 0.00 -1.09 0.00 0.00 33.01 28.68 2h3c s GLN 49 CO 0.03 0.61 -0.10 -1.21 -1.32 0.00 0.00 175.29 173.30 2h3c s GLU 50 N -0.92 1.48 0.00 9.60 2.02 -1.26 -5.01 118.70 124.61 2h3c s GLU 50 Ca 0.27 -0.33 0.00 0.00 0.02 0.00 0.00 54.97 54.93 2h3c s GLU 50 Cb -0.18 -1.30 0.00 0.00 0.10 0.00 0.00 34.13 32.76 2h3c s GLU 50 CO 0.16 -0.03 0.00 0.41 0.02 0.00 0.00 175.26 175.82 2h3c n GLY 51 N 3.98 -0.65 3.25 -1.39 0.00 -1.26 -5.05 105.19 104.08 2h3c n GLY 51 Ca -0.22 0.22 -0.15 0.00 0.00 0.00 0.00 46.02 45.86 2h3c n GLY 51 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 2h3c n MET 52 N 0.00 -3.45 -3.56 1.61 1.56 -1.26 -5.03 117.12 106.98 2h3c n MET 52 Ca 0.00 0.84 -0.23 0.00 -0.27 0.00 0.00 57.70 58.04 2h3c n MET 52 Cb 0.00 -5.74 -0.15 0.00 2.15 0.00 0.00 33.22 29.47 2h3c n MET 52 CO 0.00 0.00 0.00 0.08 -0.73 0.00 0.00 175.97 175.32 2h3c s VAL 53 N -3.37 -0.18 -0.05 1.12 1.01 -1.26 -5.14 120.40 112.53 2h3c s VAL 53 Ca 0.32 -0.18 0.03 0.00 0.00 0.00 0.00 61.98 62.15 2h3c s VAL 53 Cb -0.04 -0.63 0.00 0.00 0.00 0.00 0.00 36.38 35.71 2h3c s VAL 53 CO 0.72 -0.28 -0.15 -1.83 0.00 0.00 0.00 175.10 173.57 2h3c s GLU 54 N 2.21 1.72 -0.46 2.72 1.03 -1.26 -5.05 118.70 119.60 2h3c s GLU 54 Ca 0.04 -0.51 0.09 0.00 0.03 0.00 0.00 54.97 54.62 2h3c s GLU 54 Cb -0.16 -1.45 0.38 0.00 -0.80 0.00 0.00 34.13 32.09 2h3c s GLU 54 CO -0.12 0.14 0.93 0.28 -1.33 0.00 0.00 175.26 175.16 2h3c n VAL 55 N 3.45 1.81 -4.17 1.83 0.31 -1.26 -5.07 118.33 115.24 2h3c n VAL 55 Ca -0.20 -4.85 -0.17 0.00 -0.01 0.00 0.00 64.34 59.11 2h3c n VAL 55 Cb 0.53 -0.80 -0.12 0.00 -0.91 0.00 0.00 33.84 32.54 2h3c n VAL 55 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2h3c s ALA 56 N -3.17 0.98 0.01 3.52 0.00 -1.26 -4.91 121.76 116.93 2h3c s ALA 56 Ca 0.43 -0.88 0.11 0.00 0.00 0.00 0.00 51.96 51.62 2h3c s ALA 56 Cb 0.35 -0.07 -0.12 0.00 0.00 0.00 0.00 23.12 23.27 2h3c s ALA 56 CO -0.11 0.12 1.25 0.07 0.00 0.00 0.00 175.76 177.09 2h3c h ARG 57 N 4.50 0.00 0.00 0.00 0.11 -2.07 -3.48 114.38 113.44 2h3c h ARG 57 Ca -0.39 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.69 2h3c h ARG 57 Cb 1.19 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.27 2h3c h ARG 57 CO 0.41 0.76 0.00 0.34 0.10 0.00 0.00 179.97 181.58 2h3c n PHE 58 N -3.26 -0.26 0.00 4.08 7.35 -1.26 -5.17 117.46 118.94 2h3c n PHE 58 Ca -0.01 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.68 2h3c n PHE 58 Cb 0.88 0.05 0.00 0.00 0.35 0.00 0.00 39.48 40.76 2h3c n PHE 58 CO 0.00 0.00 0.00 1.51 -0.76 0.00 0.00 176.76 177.51 2h3c n ILE 59 N -1.04 0.00 -3.02 -2.13 3.06 -1.26 -5.05 119.36 109.92 2h3c n ILE 59 Ca 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.25 2h3c n ILE 59 Cb 0.00 0.00 0.00 0.00 0.54 0.00 0.00 39.64 40.18 2h3c n ILE 59 CO 0.00 0.00 0.00 -1.84 -2.50 0.00 0.00 176.55 172.21 2h3c n GLU 60 N -0.51 0.00 0.00 9.51 0.28 -1.26 -5.16 120.64 123.50 2h3c n GLU 60 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 2h3c n GLU 60 Cb 0.00 0.00 0.00 0.00 1.43 0.00 0.00 31.44 32.87 2h3c n GLU 60 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2h3c n MET 61 N 0.00 0.00 0.00 3.44 -0.00 -1.26 -4.97 117.12 114.33 2h3c n MET 61 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.70 57.70 2h3c n MET 61 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 33.22 33.22 2h3c n MET 61 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 175.97 174.26 2h3c n ASN 62 N 0.00 0.00 0.00 3.17 5.15 -1.26 -4.70 115.26 117.62 2h3c n ASN 62 Ca 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.98 2h3c n ASN 62 Cb 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.25 2h3c n ASN 62 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2h3c n GLY 63 N 0.00 1.43 5.00 8.20 0.00 -1.26 -4.80 105.19 113.76 2h3c n GLY 63 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.00 2h3c n GLY 63 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2h3c n SER 64 N 3.44 0.00 -3.16 1.61 7.64 -1.26 -4.57 113.62 117.32 2h3c n SER 64 Ca 0.00 0.00 -0.16 0.00 1.01 0.00 0.00 58.87 59.72 2h3c n SER 64 Cb 0.00 0.00 0.08 0.00 -1.01 0.00 0.00 64.21 63.28 2h3c n SER 64 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 2h3c n PHE 65 N 0.00 -2.03 0.00 1.43 3.01 -1.26 -4.85 117.46 113.77 2h3c n PHE 65 Ca 0.00 0.84 0.00 0.00 1.01 0.00 0.00 57.45 59.30 2h3c n PHE 65 Cb 0.00 -4.72 0.00 0.00 -0.01 0.00 0.00 39.48 34.75 2h3c n PHE 65 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2h3c n ALA 66 N -3.91 0.00 -1.07 4.37 0.00 -1.26 -4.98 120.51 113.66 2h3c n ALA 66 Ca -0.22 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.07 2h3c n ALA 66 Cb 0.64 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.97 2h3c n ALA 66 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2h3c n ASP 67 N 0.00 5.62 0.00 0.00 5.75 -1.26 -4.75 116.55 121.91 2h3c n ASP 67 Ca 0.00 -2.68 0.00 0.00 -0.01 0.00 0.00 54.79 52.10 2h3c n ASP 67 Cb 0.00 -1.33 0.00 0.00 -1.03 0.00 0.00 41.12 38.76 2h3c n ASP 67 CO 0.00 0.00 0.00 1.21 -0.11 0.00 0.00 177.20 178.30 2h3c n GLU 68 N 1.89 0.00 -3.15 0.11 0.00 -1.26 -5.12 120.64 113.11 2h3c n GLU 68 Ca 0.40 0.00 0.05 0.00 0.00 0.00 0.00 57.16 57.61 2h3c n GLU 68 Cb 0.77 0.00 -0.02 0.00 0.00 0.00 0.00 31.44 32.19 2h3c n GLU 68 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.13 178.34 2h3c s ASN 69 N 0.00 -0.41 0.14 4.31 3.84 -1.26 -4.04 114.94 117.52 2h3c s ASN 69 Ca 0.00 0.26 0.00 0.00 0.21 0.00 0.00 52.86 53.33 2h3c s ASN 69 Cb 0.00 1.35 0.00 0.00 -0.55 0.00 0.00 41.25 42.05 2h3c s ASN 69 CO 0.00 -0.08 0.00 1.17 -2.79 0.00 0.00 177.10 175.40 2h3c n LYS 70 N 5.48 -0.92 0.00 0.43 0.00 -1.26 -5.01 118.16 116.88 2h3c n LYS 70 Ca -0.07 0.72 0.00 0.00 0.00 0.00 0.00 58.31 58.96 2h3c n LYS 70 Cb 0.54 -0.94 0.00 0.00 0.00 0.00 0.00 35.03 34.63 2h3c n LYS 70 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 2h3c n ASP 71 N -1.98 -0.02 0.00 3.14 -0.08 -1.26 -5.14 116.55 111.22 2h3c n ASP 71 Ca -0.01 -0.01 0.09 0.00 -1.51 0.00 0.00 54.79 53.36 2h3c n ASP 71 Cb 0.13 0.00 0.56 0.00 2.34 0.00 0.00 41.12 44.15 2h3c n ASP 71 CO 0.00 0.00 0.00 1.87 0.12 0.00 0.00 177.20 179.19