#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2h3c n LYS 2 N 0.00 -1.75 -3.24 3.17 4.76 -1.26 -4.95 118.16 114.89 2h3c n LYS 2 Ca 0.00 1.59 -0.44 0.00 -2.87 0.00 0.00 58.31 56.59 2h3c n LYS 2 Cb 0.00 -1.62 -0.07 0.00 -1.84 0.00 0.00 35.03 31.50 2h3c n LYS 2 CO 0.00 0.00 0.00 -1.14 -1.37 0.00 0.00 177.40 174.89 2h3c s GLN 3 N -1.90 3.09 -0.73 1.97 0.74 -1.26 -5.01 119.66 116.56 2h3c s GLN 3 Ca 0.00 -0.94 -0.27 0.00 0.05 0.00 0.00 55.36 54.20 2h3c s GLN 3 Cb 0.00 -4.07 0.02 0.00 1.10 0.00 0.00 33.01 30.06 2h3c s GLN 3 CO 0.00 -1.09 1.35 0.50 -0.55 0.00 0.00 175.29 175.49 2h3c s ARG 4 N 2.32 3.13 -0.39 1.67 3.52 -1.26 -4.95 118.95 123.00 2h3c s ARG 4 Ca 0.12 -0.16 -0.12 0.00 -0.13 0.00 0.00 55.73 55.44 2h3c s ARG 4 Cb -0.20 -4.22 0.03 0.00 -1.56 0.00 0.00 34.95 29.00 2h3c s ARG 4 CO 0.11 -2.22 0.24 0.96 -0.81 0.00 0.00 175.30 173.59 2h3c s ILE 5 N 6.10 4.80 -0.17 4.11 -0.00 -1.26 -5.06 121.20 129.72 2h3c s ILE 5 Ca 0.39 -0.80 -0.00 0.00 -0.00 0.00 0.00 60.65 60.23 2h3c s ILE 5 Cb -0.08 -3.68 0.00 0.00 -0.00 0.00 0.00 42.46 38.69 2h3c s ILE 5 CO 0.15 -0.27 -0.15 0.42 -0.00 0.00 0.00 174.94 175.10 2h3c s THR 6 N 1.59 2.64 -0.46 8.37 -4.23 -1.26 -5.08 115.64 117.21 2h3c s THR 6 Ca 0.03 -0.77 -0.15 0.00 -1.18 0.00 0.00 61.69 59.62 2h3c s THR 6 Cb -0.19 -2.12 0.07 0.00 1.34 0.00 0.00 72.50 71.59 2h3c s THR 6 CO 0.08 0.51 0.38 0.54 -0.54 0.00 0.00 174.62 175.59 2h3c s VAL 7 N 1.00 5.21 -0.89 2.29 0.11 -1.26 -5.00 120.40 121.85 2h3c s VAL 7 Ca -0.02 -1.03 -0.25 0.00 -2.93 0.00 0.00 61.98 57.75 2h3c s VAL 7 Cb -0.15 -4.09 -0.04 0.00 -1.53 0.00 0.00 36.38 30.57 2h3c s VAL 7 CO -0.03 -0.55 1.93 0.42 -3.33 0.00 0.00 175.10 173.54 2h3c s THR 8 N 1.64 3.46 0.00 5.04 -4.23 -1.26 -4.90 115.64 115.39 2h3c s THR 8 Ca 0.04 -0.36 0.00 0.00 -1.18 0.00 0.00 61.69 60.20 2h3c s THR 8 Cb -0.24 -4.03 0.00 0.00 1.34 0.00 0.00 72.50 69.57 2h3c s THR 8 CO 0.07 -0.98 0.00 0.52 -0.54 0.00 0.00 174.62 173.69 2h3c n VAL 9 N 7.82 0.00 -0.32 2.29 0.31 -1.26 -4.85 118.33 122.32 2h3c n VAL 9 Ca 0.39 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.72 2h3c n VAL 9 Cb 0.47 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.40 2h3c n VAL 9 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 2h3c n ASP 10 N 0.00 0.00 0.03 4.52 2.03 -1.26 -4.63 116.55 117.24 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 -0.24 -1.92 0.00 0.00 177.20 175.04 2h3c n SER 11 N 0.00 -0.25 0.00 1.67 2.88 -1.26 -5.05 113.62 111.61 2h3c n SER 11 Ca 0.00 0.12 0.00 0.00 -1.33 0.00 0.00 58.87 57.66 2h3c n SER 11 Cb 0.00 0.37 0.00 0.00 -0.75 0.00 0.00 64.21 63.83 2h3c n SER 11 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2h3c n ASP 12 N -2.70 0.00 0.00 -3.46 9.92 -1.26 -4.90 116.55 114.15 2h3c n ASP 12 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.26 2h3c n ASP 12 Cb 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.48 2h3c n ASP 12 CO 0.00 0.00 0.00 -1.20 0.13 0.00 0.00 177.20 176.13 2h3c n SER 13 N 0.00 0.00 -0.01 -2.24 7.64 -1.26 -5.03 113.62 112.72 2h3c n SER 13 Ca 0.00 0.00 -0.20 0.00 1.01 0.00 0.00 58.87 59.68 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 0.31 -0.91 1.43 3.20 -1.98 -3.39 116.97 115.63 2h3c h TYR 14 Ca 0.00 -0.23 0.22 0.00 3.14 0.00 0.00 58.73 61.87 2h3c h TYR 14 Cb 0.00 -0.01 -0.12 0.00 1.54 0.00 0.00 36.73 38.13 2h3c h TYR 14 CO 0.00 1.38 0.42 -0.56 -1.64 0.00 0.00 178.16 177.76 2h3c h GLN 15 N -0.56 0.42 0.80 1.82 3.07 -1.97 -0.99 115.11 117.69 2h3c h GLN 15 Ca -0.21 -0.03 -0.04 0.00 0.09 0.00 0.00 58.65 58.46 2h3c h GLN 15 Cb 1.52 -0.09 0.01 0.00 0.08 0.00 0.00 27.48 28.99 2h3c h GLN 15 CO 0.03 0.28 -0.38 -0.07 0.09 0.00 0.00 178.83 178.77 2h3c h LEU 16 N 0.43 -0.91 -1.40 0.06 3.38 -1.96 1.50 115.31 116.41 2h3c h LEU 16 Ca 0.57 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.57 2h3c h LEU 16 Cb 1.08 0.23 -0.03 0.00 0.09 0.00 0.00 40.66 42.04 2h3c h LEU 16 CO -0.52 -0.64 0.36 0.25 0.09 0.00 0.00 178.44 177.98 2h3c h LEU 17 N -1.08 0.67 0.03 1.67 6.46 -1.64 0.31 115.31 121.72 2h3c h LEU 17 Ca -0.11 -0.03 -0.23 0.00 -0.12 0.00 0.00 57.88 57.39 2h3c h LEU 17 Cb 0.82 -0.17 -0.02 0.00 -0.73 0.00 0.00 40.66 40.57 2h3c h LEU 17 CO 0.18 0.50 -1.09 0.07 -0.62 0.00 0.00 178.44 177.48 2h3c h LYS 18 N 0.78 0.12 0.00 1.25 2.10 -1.05 -0.93 116.57 118.84 2h3c h LYS 18 Ca 0.21 -0.20 0.00 0.00 -2.00 0.00 0.00 60.65 58.66 2h3c h LYS 18 Cb -0.06 0.07 0.00 0.00 -0.90 0.00 0.00 32.23 31.35 2h3c h LYS 18 CO -0.04 1.08 -0.18 0.00 -2.00 0.00 0.00 179.45 178.32 2h3c h ALA 19 N 0.83 0.90 0.05 0.07 0.00 0.27 -3.28 119.26 118.10 2h3c h ALA 19 Ca -0.06 0.00 -0.30 0.00 0.00 0.00 0.00 54.91 54.55 2h3c h ALA 19 Cb 1.83 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 19.59 2h3c h ALA 19 CO 0.16 0.00 -1.66 0.10 0.00 0.00 0.00 179.25 177.85 2h3c h TYR 20 N 0.00 0.20 0.00 0.00 -0.00 -0.44 -3.48 116.97 113.25 2h3c h TYR 20 Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 58.73 58.58 2h3c h TYR 20 Cb 0.84 -0.01 0.00 0.00 0.00 0.00 0.00 36.73 37.57 2h3c h TYR 20 CO 0.00 1.25 0.00 -0.25 -0.00 0.00 0.00 178.16 179.16 2h3c n ASP 21 N -3.25 0.00 -4.88 0.10 8.00 -1.13 -4.94 116.55 110.44 2h3c n ASP 21 Ca -0.18 0.00 -0.21 0.00 0.71 0.00 0.00 54.79 55.10 2h3c n ASP 21 Cb 1.04 0.00 0.09 0.00 -0.02 0.00 0.00 41.12 42.23 2h3c n ASP 21 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 2h3c n VAL 22 N 0.00 0.00 -2.68 2.53 0.31 -0.37 -4.97 118.33 113.16 2h3c n VAL 22 Ca 0.00 -1.86 -0.04 0.00 -0.01 0.00 0.00 64.34 62.43 2h3c n VAL 22 Cb 0.00 -0.64 0.12 0.00 -0.91 0.00 0.00 33.84 32.41 2h3c n VAL 22 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 2h3c n ASN 23 N -2.53 -1.60 0.00 4.52 4.13 -1.26 -3.68 115.26 114.83 2h3c n ASN 23 Ca 0.17 -2.28 0.00 0.00 1.68 0.00 0.00 54.58 54.15 2h3c n ASN 23 Cb 0.62 0.81 0.00 0.00 -1.54 0.00 0.00 39.78 39.66 2h3c n ASN 23 CO 0.00 0.00 0.00 2.30 0.28 0.00 0.00 177.26 179.84 2h3c n ILE 24 N -1.15 0.00 -0.25 2.41 -6.64 -1.26 -4.75 119.36 107.72 2h3c n ILE 24 Ca -0.12 0.00 -0.06 0.00 -1.77 0.00 0.00 62.75 60.79 2h3c n ILE 24 Cb 0.86 -0.09 -0.06 0.00 -1.44 0.00 0.00 39.64 38.91 2h3c n ILE 24 CO 0.00 0.00 0.00 -0.24 -1.77 0.00 0.00 176.55 174.54 2h3c n SER 25 N 0.00 -0.63 0.07 7.28 2.88 -1.26 0.34 113.62 122.31 2h3c n SER 25 Ca 0.00 1.41 0.01 0.00 -1.33 0.00 0.00 58.87 58.96 2h3c n SER 25 Cb 0.00 -0.32 -0.05 0.00 -0.75 0.00 0.00 64.21 63.10 2h3c n SER 25 CO 0.00 0.00 0.00 1.23 -1.23 0.00 0.00 175.04 175.04 2h3c h GLY 26 N 0.00 0.00 0.74 0.46 0.00 -1.98 -3.26 103.07 99.03 2h3c h GLY 26 Ca 0.09 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.39 2h3c h GLY 26 CO -0.55 0.00 -0.38 -2.00 0.00 0.00 0.00 176.54 173.61 2h3c h LEU 27 N 0.00 -0.91 0.03 3.11 6.46 -1.55 1.36 115.31 123.81 2h3c h LEU 27 Ca -0.10 0.04 0.02 0.00 -0.12 0.00 0.00 57.88 57.71 2h3c h LEU 27 Cb 1.50 0.24 -0.05 0.00 -0.73 0.00 0.00 40.66 41.62 2h3c h LEU 27 CO 0.05 -0.62 -0.51 0.58 -0.62 0.00 0.00 178.44 177.32 2h3c h VAL 28 N -1.02 0.04 -0.36 1.05 2.07 -0.29 0.38 116.25 118.12 2h3c h VAL 28 Ca -0.10 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.50 2h3c h VAL 28 Cb 0.79 0.04 -0.08 0.00 -1.52 0.00 0.00 31.29 30.52 2h3c h VAL 28 CO 0.15 0.00 -0.23 -1.28 0.02 0.00 0.00 177.57 176.23 2h3c h SER 29 N -0.67 -0.77 0.03 0.57 0.87 -1.59 0.32 113.55 112.31 2h3c h SER 29 Ca 0.02 0.16 -0.00 0.00 -1.23 0.00 0.00 61.79 60.73 2h3c h SER 29 Cb 0.72 0.39 0.00 0.00 -0.44 0.00 0.00 62.40 63.07 2h3c h SER 29 CO -0.33 -0.26 -0.01 0.74 -0.53 0.00 0.00 176.83 176.44 2h3c h THR 30 N -0.18 1.42 -0.35 2.23 2.02 0.20 -2.21 112.91 116.03 2h3c h THR 30 Ca 0.18 -1.57 0.06 0.00 0.77 0.00 0.00 66.41 65.85 2h3c h THR 30 Cb 0.46 2.44 -0.06 0.00 -1.74 0.00 0.00 68.15 69.25 2h3c h THR 30 CO -0.47 0.39 -0.01 0.74 0.37 0.00 0.00 175.52 176.54 2h3c h THR 31 N -0.75 0.72 -0.40 3.16 2.02 -0.20 -1.35 112.91 116.12 2h3c h THR 31 Ca -0.00 -0.03 0.06 0.00 0.77 0.00 0.00 66.41 67.21 2h3c h THR 31 Cb 0.67 0.64 -0.06 0.00 -1.74 0.00 0.00 68.15 67.66 2h3c h THR 31 CO 0.01 0.01 0.06 0.24 0.37 0.00 0.00 175.52 176.21 2h3c h MET 32 N 0.08 0.18 -0.61 6.66 2.86 -0.42 0.54 114.93 124.22 2h3c h MET 32 Ca 0.17 -0.01 0.08 0.00 -2.06 0.00 0.00 59.70 57.88 2h3c h MET 32 Cb 0.24 -0.04 -0.07 0.00 0.06 0.00 0.00 31.60 31.79 2h3c h MET 32 CO -0.30 0.12 0.26 0.37 1.06 0.00 0.00 176.91 178.42 2h3c h GLN 33 N 0.19 0.45 0.65 1.72 4.15 -0.67 2.05 115.11 123.66 2h3c h GLN 33 Ca 0.19 -0.03 -0.03 0.00 0.77 0.00 0.00 58.65 59.55 2h3c h GLN 33 Cb 0.24 -0.10 0.01 0.00 0.21 0.00 0.00 27.48 27.84 2h3c h GLN 33 CO -0.27 0.30 -0.31 -0.91 -1.93 0.00 0.00 178.83 175.71 2h3c h ASN 34 N 0.47 -0.74 -0.47 -0.69 2.35 -0.48 1.04 115.58 117.04 2h3c h ASN 34 Ca 0.30 -0.00 0.05 0.00 -0.55 0.00 0.00 56.30 56.10 2h3c h ASN 34 Cb 0.33 0.19 -0.03 0.00 0.05 0.00 0.00 38.32 38.86 2h3c h ASN 34 CO -0.27 -0.47 0.32 -0.08 -1.65 0.00 0.00 177.43 175.28 2h3c h GLU 35 N -0.97 0.44 -0.04 0.81 4.57 -0.52 0.08 114.58 118.94 2h3c h GLU 35 Ca -0.09 -0.03 -0.02 0.00 -1.18 0.00 0.00 59.36 58.04 2h3c h GLU 35 Cb 0.70 -0.10 -0.00 0.00 -0.16 0.00 0.00 28.75 29.19 2h3c h GLU 35 CO 0.15 0.29 -0.05 0.00 -1.18 0.00 0.00 179.01 178.21 2h3c h ALA 36 N 1.74 0.06 0.23 2.92 0.00 0.38 0.47 119.26 125.06 2h3c h ALA 36 Ca 0.20 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 2h3c h ALA 36 Cb 0.23 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 2h3c h ALA 36 CO -0.05 -0.13 -0.14 0.00 0.00 0.00 0.00 179.25 178.93 2h3c h ARG 37 N -0.37 -0.34 0.00 0.00 2.47 0.17 -2.84 114.38 113.48 2h3c h ARG 37 Ca 0.01 0.02 0.00 0.00 -1.26 0.00 0.00 59.98 58.75 2h3c h ARG 37 Cb 0.58 0.08 0.00 0.00 -1.65 0.00 0.00 29.97 28.98 2h3c h ARG 37 CO 0.01 -0.22 0.00 -0.09 0.56 0.00 0.00 179.97 180.23 2h3c h ARG 38 N -0.35 0.00 -0.27 0.04 9.65 -1.08 -3.48 114.38 118.89 2h3c h ARG 38 Ca -0.02 0.00 -0.03 0.00 -1.10 0.00 0.00 59.98 58.82 2h3c h ARG 38 Cb 0.29 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 28.86 2h3c h ARG 38 CO 0.03 0.00 0.07 1.28 2.80 0.00 0.00 179.97 184.15 2h3c n LEU 39 N -2.78 0.03 0.00 3.80 4.77 0.17 0.23 117.00 123.22 2h3c n LEU 39 Ca 0.04 0.02 0.00 0.00 -0.03 0.00 0.00 56.01 56.05 2h3c n LEU 39 Cb 0.46 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.51 2h3c n LEU 39 CO 0.31 -0.04 0.00 0.54 -1.33 0.00 0.00 177.39 176.88 2h3c n ARG 40 N 0.37 0.00 -3.09 3.23 1.74 -1.26 -5.04 116.66 112.61 2h3c n ARG 40 Ca 0.03 0.00 -0.12 0.00 -0.77 0.00 0.00 57.85 56.99 2h3c n ARG 40 Cb -0.00 -0.35 -0.03 0.00 -1.02 0.00 0.00 32.46 31.06 2h3c n ARG 40 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2h3c n ALA 41 N -1.52 0.25 -3.00 7.54 0.00 0.64 -5.18 120.51 119.23 2h3c n ALA 41 Ca 0.00 -0.94 0.00 0.00 0.00 0.00 0.00 53.44 52.50 2h3c n ALA 41 Cb 0.00 0.62 0.00 0.00 0.00 0.00 0.00 19.45 20.07 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 -0.43 0.00 -2.21 0.00 0.00 -1.26 -4.87 120.64 111.87 2h3c n GLU 42 Ca -0.04 0.00 -0.02 0.00 0.00 0.00 0.00 57.16 57.10 2h3c n GLU 42 Cb 0.28 0.00 0.03 0.00 0.00 0.00 0.00 31.44 31.75 2h3c n GLU 42 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.13 180.02 2h3c n ARG 43 N 0.00 0.46 -1.15 5.31 -4.01 -1.26 -5.05 116.66 110.97 2h3c n ARG 43 Ca 0.00 -0.64 -0.34 0.00 -1.04 0.00 0.00 57.85 55.83 2h3c n ARG 43 Cb 0.00 0.09 -0.02 0.00 -3.04 0.00 0.00 32.46 29.48 2h3c n ARG 43 CO 0.00 0.00 0.00 0.91 -3.04 0.00 0.00 177.63 175.50 2h3c n TRP 44 N -0.55 2.14 -3.68 2.89 7.02 -1.26 -4.81 117.44 119.20 2h3c n TRP 44 Ca -0.12 -2.70 -0.13 0.00 -1.02 0.00 0.00 57.50 53.53 2h3c n TRP 44 Cb 0.66 -2.22 -0.09 0.00 -2.42 0.00 0.00 31.31 27.24 2h3c n TRP 44 CO 0.00 0.00 0.00 0.21 -2.02 0.00 0.00 177.69 175.88 2h3c s LYS 45 N 2.70 0.65 -0.04 -0.99 2.36 -1.26 -5.16 119.74 117.99 2h3c s LYS 45 Ca 0.59 0.83 0.02 0.00 -2.55 0.00 0.00 55.97 54.86 2h3c s LYS 45 Cb 0.15 0.28 0.01 0.00 -1.05 0.00 0.00 37.83 37.22 2h3c s LYS 45 CO -0.05 -0.09 -0.10 0.54 1.55 0.00 0.00 175.35 177.20 2h3c s VAL 46 N 0.49 0.91 -0.38 4.02 0.11 -1.26 -5.12 120.40 119.18 2h3c s VAL 46 Ca -0.02 -0.39 -0.11 0.00 -2.93 0.00 0.00 61.98 58.53 2h3c s VAL 46 Cb -0.04 -0.83 0.03 0.00 -1.53 0.00 0.00 36.38 34.00 2h3c s VAL 46 CO -0.02 0.29 0.21 -1.61 -3.33 0.00 0.00 175.10 170.65 2h3c s GLU 47 N 0.42 2.86 0.00 1.54 8.01 -1.26 -4.78 118.70 125.50 2h3c s GLU 47 Ca -0.08 -1.06 0.00 0.00 0.01 0.00 0.00 54.97 53.84 2h3c s GLU 47 Cb -0.12 -3.75 0.00 0.00 -4.31 0.00 0.00 34.13 25.95 2h3c s GLU 47 CO 0.02 -0.69 0.00 -1.71 0.01 0.00 0.00 175.26 172.88 2h3c n ASN 48 N 5.01 0.00 -3.82 -0.19 5.15 -1.26 -5.17 115.26 114.98 2h3c n ASN 48 Ca -0.12 0.00 -0.25 0.00 -0.60 0.00 0.00 54.58 53.61 2h3c n ASN 48 Cb 0.46 0.16 -0.08 0.00 -0.53 0.00 0.00 39.78 39.80 2h3c n ASN 48 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2h3c n GLN 49 N -1.63 0.53 -1.34 1.20 3.00 -1.26 -5.04 117.38 112.84 2h3c n GLN 49 Ca 0.00 -3.57 -0.40 0.00 -0.01 0.00 0.00 57.00 53.02 2h3c n GLN 49 Cb 0.00 2.17 -0.03 0.00 0.00 0.00 0.00 30.24 32.38 2h3c n GLN 49 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.06 177.45 2h3c n GLU 50 N -0.89 2.31 -3.26 -1.09 -0.58 -1.26 -4.93 120.64 110.94 2h3c n GLU 50 Ca -0.03 -2.12 -0.33 0.00 -0.42 0.00 0.00 57.16 54.26 2h3c n GLU 50 Cb 0.64 -2.99 -0.06 0.00 -0.57 0.00 0.00 31.44 28.46 2h3c n GLU 50 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 2h3c s GLY 51 N 3.84 2.39 0.00 0.62 0.00 -1.26 -5.04 107.32 107.86 2h3c s GLY 51 Ca 0.52 -0.06 0.00 0.00 0.00 0.00 0.00 44.72 45.18 2h3c s GLY 51 CO 0.00 0.16 0.00 1.03 0.00 0.00 0.00 173.10 174.29 2h3c n MET 52 N 0.10 0.00 0.00 2.90 0.00 -1.26 -4.92 117.12 113.94 2h3c n MET 52 Ca 0.00 0.39 0.00 0.00 0.00 0.00 0.00 57.70 58.09 2h3c n MET 52 Cb 0.52 -0.89 0.00 0.00 0.00 0.00 0.00 33.22 32.85 2h3c n MET 52 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 175.97 176.25 2h3c n VAL 53 N -1.78 0.00 -2.80 2.03 0.31 -1.26 -5.08 118.33 109.76 2h3c n VAL 53 Ca 0.00 0.00 -0.41 0.00 -0.01 0.00 0.00 64.34 63.92 2h3c n VAL 53 Cb 0.00 -0.14 -0.04 0.00 -0.91 0.00 0.00 33.84 32.75 2h3c n VAL 53 CO 0.00 0.00 0.00 -1.83 -1.32 0.00 0.00 176.83 173.68 2h3c s GLU 54 N -1.03 4.57 -0.59 5.55 1.03 -1.26 -5.02 118.70 121.95 2h3c s GLU 54 Ca 0.00 1.31 0.04 0.00 0.03 0.00 0.00 54.97 56.35 2h3c s GLU 54 Cb 0.00 -3.43 0.16 0.00 -0.80 0.00 0.00 34.13 30.06 2h3c s GLU 54 CO 0.00 0.06 0.40 0.54 -1.33 0.00 0.00 175.26 174.93 2h3c s VAL 55 N 0.63 2.18 -0.12 1.83 0.11 -1.26 -4.90 120.40 118.87 2h3c s VAL 55 Ca 0.47 -3.61 -0.02 0.00 -2.93 0.00 0.00 61.98 55.90 2h3c s VAL 55 Cb -0.21 -2.46 -0.03 0.00 -1.53 0.00 0.00 36.38 32.15 2h3c s VAL 55 CO 0.26 -1.00 -0.04 0.00 -3.33 0.00 0.00 175.10 170.99 2h3c s ALA 56 N -0.76 3.05 -0.29 1.54 0.00 -1.26 -4.75 121.76 119.29 2h3c s ALA 56 Ca 0.24 -0.84 -0.28 0.00 0.00 0.00 0.00 51.96 51.08 2h3c s ALA 56 Cb -0.09 -1.45 0.20 0.00 0.00 0.00 0.00 23.12 21.78 2h3c s ALA 56 CO -0.12 0.39 1.40 -0.98 0.00 0.00 0.00 175.76 176.45 2h3c s ARG 57 N -0.23 0.03 0.05 0.00 1.04 -1.26 -5.17 118.95 113.41 2h3c s ARG 57 Ca 0.04 0.01 0.00 0.00 -1.04 0.00 0.00 55.73 54.74 2h3c s ARG 57 Cb -0.13 0.01 0.00 0.00 -2.04 0.00 0.00 34.95 32.80 2h3c s ARG 57 CO 0.02 -0.01 0.00 0.34 -0.04 0.00 0.00 175.30 175.62 2h3c n PHE 58 N 0.70 -0.50 -3.62 5.89 7.35 -1.26 -5.07 117.46 120.95 2h3c n PHE 58 Ca -0.02 0.26 -0.21 0.00 -0.76 0.00 0.00 57.45 56.73 2h3c n PHE 58 Cb 0.59 -1.51 -0.16 0.00 0.35 0.00 0.00 39.48 38.74 2h3c n PHE 58 CO 0.00 0.00 0.00 0.42 -0.76 0.00 0.00 176.76 176.42 2h3c s ILE 59 N -1.63 -0.17 -0.96 -2.13 1.09 -1.26 -5.05 121.20 111.09 2h3c s ILE 59 Ca 0.00 0.10 -0.11 0.00 -1.10 0.00 0.00 60.65 59.54 2h3c s ILE 59 Cb 0.00 -0.43 -0.08 0.00 -1.06 0.00 0.00 42.46 40.89 2h3c s ILE 59 CO 0.00 -0.07 2.12 -0.62 -0.10 0.00 0.00 174.94 176.28 2h3c n GLU 60 N 5.30 2.08 -3.23 2.79 4.71 -1.26 -4.48 120.64 126.55 2h3c n GLU 60 Ca -0.05 -1.68 -0.08 0.00 -0.01 0.00 0.00 57.16 55.34 2h3c n GLU 60 Cb 0.50 -2.65 0.00 0.00 -1.01 0.00 0.00 31.44 28.27 2h3c n GLU 60 CO 0.00 0.00 0.00 -0.12 0.09 0.00 0.00 177.13 177.10 2h3c n MET 61 N 5.05 -1.50 0.00 3.49 0.00 -1.26 -4.72 117.12 118.18 2h3c n MET 61 Ca 0.49 1.39 0.00 0.00 0.00 0.00 0.00 57.70 59.57 2h3c n MET 61 Cb 0.23 -4.82 0.00 0.00 0.00 0.00 0.00 33.22 28.63 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 -1.77 -0.09 -4.22 6.12 4.05 -1.26 -4.57 115.26 113.51 2h3c n ASN 62 Ca -0.07 0.00 -0.36 0.00 0.45 0.00 0.00 54.58 54.60 2h3c n ASN 62 Cb 0.55 0.00 -0.13 0.00 1.23 0.00 0.00 39.78 41.43 2h3c n ASN 62 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 177.26 173.38 2h3c s GLY 63 N -1.77 1.78 -0.11 8.20 0.00 -1.26 -4.98 107.32 109.18 2h3c s GLY 63 Ca 0.00 -1.71 -0.22 0.00 0.00 0.00 0.00 44.72 42.79 2h3c s GLY 63 CO 0.00 0.70 0.69 0.23 0.00 0.00 0.00 173.10 174.72 2h3c h SER 64 N 8.09 -0.03 -1.41 1.64 0.87 -1.85 -3.47 113.55 117.40 2h3c h SER 64 Ca -0.23 -0.69 -0.64 0.00 -1.23 0.00 0.00 61.79 59.00 2h3c h SER 64 Cb 1.08 0.01 -0.13 0.00 -0.44 0.00 0.00 62.40 62.92 2h3c h SER 64 CO 0.57 0.78 -0.58 -0.36 -0.53 0.00 0.00 176.83 176.71 2h3c s PHE 65 N -2.43 2.40 -1.11 2.24 0.08 -1.26 -5.06 117.98 112.84 2h3c s PHE 65 Ca -0.14 -0.72 0.20 0.00 0.12 0.00 0.00 56.93 56.38 2h3c s PHE 65 Cb -0.02 -1.76 -0.18 0.00 -0.57 0.00 0.00 43.02 40.50 2h3c s PHE 65 CO 0.54 0.39 0.87 0.00 -0.10 0.00 0.00 175.22 176.92 2h3c n ALA 66 N -1.05 4.38 -2.16 5.36 0.00 -1.26 -5.00 120.51 120.78 2h3c n ALA 66 Ca -0.07 -0.57 -0.18 0.00 0.00 0.00 0.00 53.44 52.61 2h3c n ALA 66 Cb 0.67 -0.72 -0.00 0.00 0.00 0.00 0.00 19.45 19.39 2h3c n ALA 66 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 2h3c s ASP 67 N -2.77 5.57 -0.59 0.00 -4.77 -1.26 -4.79 116.67 108.06 2h3c s ASP 67 Ca 0.09 -0.45 -0.00 0.00 -3.30 0.00 0.00 52.55 48.89 2h3c s ASP 67 Cb 0.15 -0.76 -0.01 0.00 -1.09 0.00 0.00 42.92 41.22 2h3c s ASP 67 CO 0.76 -0.66 0.56 1.21 0.70 0.00 0.00 175.17 177.74 2h3c n GLU 68 N -1.72 -1.09 -3.27 2.11 2.13 -1.26 -5.03 120.64 112.51 2h3c n GLU 68 Ca 0.05 1.21 -0.25 0.00 0.66 0.00 0.00 57.16 58.83 2h3c n GLU 68 Cb 0.59 -4.79 -0.08 0.00 0.27 0.00 0.00 31.44 27.43 2h3c n GLU 68 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 2h3c n ASN 69 N -1.71 0.29 0.29 4.31 3.02 -1.26 -4.98 115.26 115.21 2h3c n ASN 69 Ca -0.01 -2.67 0.17 0.00 -0.03 0.00 0.00 54.58 52.05 2h3c n ASN 69 Cb 0.51 -0.62 0.86 0.00 -0.61 0.00 0.00 39.78 39.92 2h3c n ASN 69 CO 0.00 0.00 0.00 0.50 -2.62 0.00 0.00 177.26 175.14 2h3c h LYS 70 N 4.45 0.00 0.00 3.52 3.64 -2.01 -3.49 116.57 122.68 2h3c h LYS 70 Ca 0.13 0.00 0.01 0.00 -1.27 0.00 0.00 60.65 59.52 2h3c h LYS 70 Cb 0.87 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.69 2h3c h LYS 70 CO 0.47 0.05 -0.01 -3.47 -2.27 0.00 0.00 179.45 174.21 2h3c n ASP 71 N -3.29 -0.56 -0.92 4.20 -0.08 -1.26 -5.28 116.55 109.37 2h3c n ASP 71 Ca -0.01 0.04 0.11 0.00 -1.51 0.00 0.00 54.79 53.42 2h3c n ASP 71 Cb 0.21 -0.10 0.10 0.00 2.34 0.00 0.00 41.12 43.66 2h3c n ASP 71 CO 0.00 0.00 0.00 -2.67 0.12 0.00 0.00 177.20 174.65