#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 -1.98 -3.55 0.03 4.01 -1.26 -4.97 118.16 110.44 2h3c n LYS 2 Ca 0.00 1.75 -0.41 0.00 -0.51 0.00 0.00 58.31 59.13 2h3c n LYS 2 Cb 0.00 -2.13 -0.10 0.00 -0.51 0.00 0.00 35.03 32.29 2h3c n LYS 2 CO 0.00 0.00 0.00 -1.14 -1.11 0.00 0.00 177.40 175.15 2h3c s GLN 3 N -1.45 2.78 -0.64 1.97 2.00 -1.26 -5.03 119.66 118.03 2h3c s GLN 3 Ca -0.00 -1.26 -0.27 0.00 -2.00 0.00 0.00 55.36 51.82 2h3c s GLN 3 Cb 0.00 -3.83 0.02 0.00 0.80 0.00 0.00 33.01 30.00 2h3c s GLN 3 CO 0.01 -0.85 1.34 0.50 -0.50 0.00 0.00 175.29 175.79 2h3c s ARG 4 N 1.53 3.25 -0.18 1.67 3.52 -1.26 -4.96 118.95 122.52 2h3c s ARG 4 Ca 0.03 0.14 -0.05 0.00 -0.13 0.00 0.00 55.73 55.71 2h3c s ARG 4 Cb -0.21 -4.14 -0.03 0.00 -1.56 0.00 0.00 34.95 29.01 2h3c s ARG 4 CO 0.05 -2.03 -0.01 0.96 -0.81 0.00 0.00 175.30 173.47 2h3c s ILE 5 N 5.90 4.04 -0.07 4.11 -0.00 -1.26 -5.10 121.20 128.82 2h3c s ILE 5 Ca 0.44 -0.29 0.01 0.00 -0.00 0.00 0.00 60.65 60.81 2h3c s ILE 5 Cb -0.09 -2.80 0.02 0.00 -0.00 0.00 0.00 42.46 39.58 2h3c s ILE 5 CO 0.21 0.45 -0.10 0.28 -0.00 0.00 0.00 174.94 175.78 2h3c s THR 6 N 0.69 1.02 -0.42 8.37 -1.32 -1.26 -5.10 115.64 117.63 2h3c s THR 6 Ca -0.00 -0.38 -0.15 0.00 -1.21 0.00 0.00 61.69 59.95 2h3c s THR 6 Cb -0.14 -0.97 0.03 0.00 -1.51 0.00 0.00 72.50 69.91 2h3c s THR 6 CO 0.02 0.34 0.31 0.54 -2.21 0.00 0.00 174.62 173.62 2h3c s VAL 7 N 0.93 5.17 -0.79 5.08 0.11 -1.26 -5.01 120.40 124.63 2h3c s VAL 7 Ca -0.10 -0.77 -0.25 0.00 -2.93 0.00 0.00 61.98 57.93 2h3c s VAL 7 Cb -0.15 -3.92 -0.03 0.00 -1.53 0.00 0.00 36.38 30.75 2h3c s VAL 7 CO 0.01 -0.35 1.87 0.42 -3.33 0.00 0.00 175.10 173.71 2h3c s THR 8 N 1.66 3.44 0.00 5.04 -4.23 -1.26 -4.91 115.64 115.37 2h3c s THR 8 Ca 0.04 -0.14 0.00 0.00 -1.18 0.00 0.00 61.69 60.42 2h3c s THR 8 Cb -0.20 -4.06 0.00 0.00 1.34 0.00 0.00 72.50 69.58 2h3c s THR 8 CO 0.09 -1.01 0.00 0.52 -0.54 0.00 0.00 174.62 173.68 2h3c n VAL 9 N 7.52 0.00 0.00 2.29 0.31 -1.26 -4.74 118.33 122.44 2h3c n VAL 9 Ca 0.31 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.64 2h3c n VAL 9 Cb 0.49 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.42 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 0.08 4.52 2.03 -1.26 -4.61 116.55 117.30 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 0.47 0.00 1.67 7.64 -1.26 -5.05 113.62 117.09 2h3c n SER 11 Ca 0.00 0.24 0.00 0.00 1.01 0.00 0.00 58.87 60.12 2h3c n SER 11 Cb 0.00 -0.01 0.00 0.00 -1.01 0.00 0.00 64.21 63.19 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 -3.37 0.00 -1.49 6.43 8.00 -1.26 -4.94 116.55 119.92 2h3c n ASP 12 Ca 0.00 0.00 -0.02 0.00 0.71 0.00 0.00 54.79 55.48 2h3c n ASP 12 Cb 0.05 0.00 0.02 0.00 -0.02 0.00 0.00 41.12 41.17 2h3c n ASP 12 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 2h3c n SER 13 N 0.00 -0.55 0.12 -2.24 2.88 -1.26 -4.99 113.62 107.57 2h3c n SER 13 Ca 0.00 -1.26 -0.23 0.00 -1.33 0.00 0.00 58.87 56.05 2h3c n SER 13 Cb 0.00 0.23 -0.15 0.00 -0.75 0.00 0.00 64.21 63.54 2h3c n SER 13 CO 0.00 0.00 0.00 0.22 -1.23 0.00 0.00 175.04 174.03 2h3c h TYR 14 N 0.26 0.82 -0.78 0.66 3.20 -1.99 -3.38 116.97 115.77 2h3c h TYR 14 Ca -0.21 -0.60 0.18 0.00 3.14 0.00 0.00 58.73 61.23 2h3c h TYR 14 Cb 1.04 -0.03 -0.12 0.00 1.54 0.00 0.00 36.73 39.15 2h3c h TYR 14 CO -0.13 1.56 0.18 -0.56 -1.64 0.00 0.00 178.16 177.57 2h3c h GLN 15 N 0.12 0.24 -0.47 1.82 3.07 -1.98 -1.79 115.11 116.13 2h3c h GLN 15 Ca -0.27 -0.01 0.07 0.00 0.09 0.00 0.00 58.65 58.52 2h3c h GLN 15 Cb 2.12 -0.05 -0.06 0.00 0.08 0.00 0.00 27.48 29.57 2h3c h GLN 15 CO 0.23 0.16 0.12 1.25 0.09 0.00 0.00 178.83 180.68 2h3c h LEU 16 N 0.25 0.07 -0.07 0.06 6.46 -1.97 1.99 115.31 122.09 2h3c h LEU 16 Ca 0.45 0.07 0.01 0.00 -0.12 0.00 0.00 57.88 58.30 2h3c h LEU 16 Cb 0.81 0.09 -0.01 0.00 -0.73 0.00 0.00 40.66 40.81 2h3c h LEU 16 CO -0.56 0.07 -0.01 -0.07 -0.62 0.00 0.00 178.44 177.25 2h3c h LEU 17 N 0.27 -0.04 -0.72 2.25 -0.00 -1.56 -0.82 115.31 114.68 2h3c h LEU 17 Ca 0.23 0.02 -0.09 0.00 -0.00 0.00 0.00 57.88 58.04 2h3c h LEU 17 Cb 0.28 0.03 -0.01 0.00 -0.00 0.00 0.00 40.66 40.96 2h3c h LEU 17 CO -0.28 -0.01 -0.42 0.07 -0.00 0.00 0.00 178.44 177.80 2h3c h LYS 18 N 0.02 0.00 0.00 1.13 2.10 -1.16 -1.13 116.57 117.53 2h3c h LYS 18 Ca 0.03 0.00 -0.04 0.00 -2.00 0.00 0.00 60.65 58.64 2h3c h LYS 18 Cb 0.04 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.37 2h3c h LYS 18 CO -0.06 0.42 -0.20 0.00 -2.00 0.00 0.00 179.45 177.61 2h3c h ALA 19 N 1.58 1.42 0.12 0.07 0.00 0.39 -2.85 119.26 119.99 2h3c h ALA 19 Ca -0.00 -0.18 -0.32 0.00 0.00 0.00 0.00 54.91 54.40 2h3c h ALA 19 Cb 1.03 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 2h3c h ALA 19 CO 0.06 0.25 -1.70 0.10 0.00 0.00 0.00 179.25 177.95 2h3c h TYR 20 N 0.00 0.46 0.00 0.00 -0.00 -0.95 -3.49 116.97 113.00 2h3c h TYR 20 Ca -0.00 -0.34 0.00 0.00 0.00 0.00 0.00 58.73 58.39 2h3c h TYR 20 Cb 0.43 -0.02 0.00 0.00 0.00 0.00 0.00 36.73 37.14 2h3c h TYR 20 CO 0.00 1.67 0.00 -0.25 -0.00 0.00 0.00 178.16 179.58 2h3c n ASP 21 N -3.74 0.00 -3.23 0.10 9.92 -0.99 -4.92 116.55 113.69 2h3c n ASP 21 Ca -0.29 0.00 -0.03 0.00 -0.53 0.00 0.00 54.79 53.95 2h3c n ASP 21 Cb 0.97 0.00 -0.03 0.00 -0.64 0.00 0.00 41.12 41.42 2h3c n ASP 21 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 2h3c s VAL 22 N 0.00 -0.83 0.00 2.53 1.01 -0.46 -4.97 120.40 117.68 2h3c s VAL 22 Ca 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 61.98 61.77 2h3c s VAL 22 Cb 0.00 -0.56 0.00 0.00 0.00 0.00 0.00 36.38 35.82 2h3c s VAL 22 CO 0.00 -0.14 0.00 -0.46 0.00 0.00 0.00 175.10 174.50 2h3c n ASN 23 N 4.84 0.00 0.00 3.32 0.23 -1.26 -3.12 115.26 119.27 2h3c n ASN 23 Ca 0.07 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.12 2h3c n ASN 23 Cb 0.53 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.23 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 0.00 0.00 -0.26 1.53 -6.64 -1.26 -4.54 119.36 108.19 2h3c n ILE 24 Ca 0.00 0.00 -0.07 0.00 -1.77 0.00 0.00 62.75 60.91 2h3c n ILE 24 Cb 0.00 0.96 -0.06 0.00 -1.44 0.00 0.00 39.64 39.10 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 -0.65 -0.00 7.28 2.88 -1.26 -0.13 113.62 121.73 2h3c n SER 25 Ca 0.00 1.38 -0.08 0.00 -1.33 0.00 0.00 58.87 58.84 2h3c n SER 25 Cb 0.33 -0.28 -0.14 0.00 -0.75 0.00 0.00 64.21 63.37 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 0.54 0.46 0.00 -1.97 -3.23 103.07 98.87 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 -0.58 0.00 -0.41 -2.00 0.00 0.00 0.00 176.54 173.55 2h3c h LEU 27 N 0.00 -1.07 0.26 3.11 5.85 -1.65 0.97 115.31 122.78 2h3c h LEU 27 Ca -0.23 0.07 0.01 0.00 0.84 0.00 0.00 57.88 58.57 2h3c h LEU 27 Cb 1.96 0.33 -0.03 0.00 0.37 0.00 0.00 40.66 43.29 2h3c h LEU 27 CO 0.09 -0.58 -0.39 0.58 -0.34 0.00 0.00 178.44 177.80 2h3c h VAL 28 N -0.91 0.21 -0.64 1.05 2.07 -0.73 1.47 116.25 118.78 2h3c h VAL 28 Ca -0.07 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.58 2h3c h VAL 28 Cb 0.75 0.21 -0.12 0.00 -1.52 0.00 0.00 31.29 30.62 2h3c h VAL 28 CO 0.02 0.00 -0.15 0.28 0.02 0.00 0.00 177.57 177.75 2h3c h SER 29 N -0.71 -0.57 0.06 0.57 0.02 -1.55 1.39 113.55 112.77 2h3c h SER 29 Ca -0.01 0.19 -0.10 0.00 -0.84 0.00 0.00 61.79 61.03 2h3c h SER 29 Cb 0.68 0.39 0.01 0.00 0.14 0.00 0.00 62.40 63.61 2h3c h SER 29 CO -0.14 -0.20 -0.47 0.00 -1.14 0.00 0.00 176.83 174.88 2h3c h THR 30 N 0.01 1.60 -0.64 -2.27 1.03 0.13 -3.19 112.91 109.59 2h3c h THR 30 Ca 0.31 -2.42 0.02 0.00 -0.01 0.00 0.00 66.41 64.30 2h3c h THR 30 Cb 0.48 3.23 -0.04 0.00 -1.07 0.00 0.00 68.15 70.75 2h3c h THR 30 CO -0.65 0.65 0.41 0.00 -0.01 0.00 0.00 175.52 175.92 2h3c h THR 31 N -0.70 1.12 0.21 0.00 1.03 0.23 -2.24 112.91 112.56 2h3c h THR 31 Ca -0.09 -0.28 0.01 0.00 -0.01 0.00 0.00 66.41 66.04 2h3c h THR 31 Cb 1.32 0.23 -0.04 0.00 -1.07 0.00 0.00 68.15 68.60 2h3c h THR 31 CO 0.06 0.15 -0.39 0.24 -0.01 0.00 0.00 175.52 175.57 2h3c h MET 32 N 0.82 -0.66 -0.86 0.00 2.86 0.18 0.20 114.93 117.47 2h3c h MET 32 Ca 0.24 0.04 0.13 0.00 -2.06 0.00 0.00 59.70 58.05 2h3c h MET 32 Cb -0.04 0.15 -0.06 0.00 0.06 0.00 0.00 31.60 31.70 2h3c h MET 32 CO -0.08 -0.44 0.56 0.37 1.06 0.00 0.00 176.91 178.38 2h3c h GLN 33 N -0.68 0.69 0.15 1.72 4.15 -1.50 2.47 115.11 122.11 2h3c h GLN 33 Ca 0.01 -0.04 -0.01 0.00 0.77 0.00 0.00 58.65 59.38 2h3c h GLN 33 Cb 0.67 -0.16 0.00 0.00 0.21 0.00 0.00 27.48 28.21 2h3c h GLN 33 CO -0.18 0.46 -0.07 -2.95 -1.93 0.00 0.00 178.83 174.16 2h3c h ASN 34 N 0.71 -0.17 0.79 -0.69 7.08 -0.75 0.62 115.58 123.17 2h3c h ASN 34 Ca 0.42 -0.34 -0.06 0.00 -3.08 0.00 0.00 56.30 53.24 2h3c h ASN 34 Cb 0.62 0.04 -0.01 0.00 -2.08 0.00 0.00 38.32 36.89 2h3c h ASN 34 CO -0.18 0.29 -0.29 -0.08 -2.08 0.00 0.00 177.43 175.09 2h3c h GLU 35 N -0.69 0.00 0.00 4.14 4.57 -0.16 0.23 114.58 122.68 2h3c h GLU 35 Ca -0.02 0.00 -0.12 0.00 -1.18 0.00 0.00 59.36 58.04 2h3c h GLU 35 Cb 0.50 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.07 2h3c h GLU 35 CO 0.03 0.29 -0.68 0.00 -1.18 0.00 0.00 179.01 177.47 2h3c h ALA 36 N 1.71 0.66 0.07 2.92 0.00 0.43 0.35 119.26 125.40 2h3c h ALA 36 Ca -0.00 -0.53 -0.10 0.00 0.00 0.00 0.00 54.91 54.28 2h3c h ALA 36 Cb 0.76 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.54 2h3c h ALA 36 CO 0.04 0.69 -0.44 0.00 0.00 0.00 0.00 179.25 179.53 2h3c h ARG 37 N 0.00 0.17 0.02 0.00 2.47 0.65 -3.37 114.38 114.32 2h3c h ARG 37 Ca -0.03 -0.28 -0.10 0.00 -1.26 0.00 0.00 59.98 58.31 2h3c h ARG 37 Cb 1.43 0.10 0.01 0.00 -1.65 0.00 0.00 29.97 29.86 2h3c h ARG 37 CO 0.06 1.12 -0.42 -0.09 0.56 0.00 0.00 179.97 181.20 2h3c h ARG 38 N -0.64 0.24 -2.66 0.04 2.43 -1.04 -3.47 114.38 109.28 2h3c h ARG 38 Ca -0.08 -0.29 0.00 0.00 -0.81 0.00 0.00 59.98 58.80 2h3c h ARG 38 Cb 1.33 0.09 0.00 0.00 -0.42 0.00 0.00 29.97 30.97 2h3c h ARG 38 CO 0.08 1.03 0.00 1.47 -1.51 0.00 0.00 179.97 181.04 2h3c n LEU 39 N -4.37 0.00 0.00 3.80 -0.00 0.12 -4.59 117.00 111.97 2h3c n LEU 39 Ca -0.11 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.90 2h3c n LEU 39 Cb 0.60 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 44.02 2h3c n LEU 39 CO 0.42 0.00 0.00 -1.14 -0.00 0.00 0.00 177.39 176.67 2h3c n ARG 40 N -0.31 0.00 0.00 1.47 3.00 -1.26 -5.08 116.66 114.48 2h3c n ARG 40 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 2h3c n ARG 40 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.46 2h3c n ARG 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2h3c n ALA 41 N 0.00 0.00 -0.49 5.13 0.00 -1.26 -5.02 120.51 118.87 2h3c n ALA 41 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.37 2h3c n ALA 41 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.38 2h3c n ALA 41 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2h3c n GLU 42 N -0.04 1.04 -0.62 0.00 4.71 -1.26 -4.76 120.64 119.71 2h3c n GLU 42 Ca 0.00 -0.58 0.00 0.00 -0.01 0.00 0.00 57.16 56.57 2h3c n GLU 42 Cb 0.00 -1.82 0.00 0.00 -1.01 0.00 0.00 31.44 28.61 2h3c n GLU 42 CO 0.00 0.00 0.00 -2.13 0.09 0.00 0.00 177.13 175.09 2h3c n ARG 43 N 2.98 -1.76 -1.33 3.49 3.00 -1.26 -4.65 116.66 117.12 2h3c n ARG 43 Ca 0.22 1.29 -0.39 0.00 -0.00 0.00 0.00 57.85 58.97 2h3c n ARG 43 Cb 0.39 -1.44 -0.03 0.00 0.00 0.00 0.00 32.46 31.38 2h3c n ARG 43 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 177.63 179.50 2h3c n TRP 44 N -0.53 2.49 -3.10 -0.14 -0.00 -1.26 -4.93 117.44 109.98 2h3c n TRP 44 Ca 0.00 -2.42 -0.31 0.00 -0.00 0.00 0.00 57.50 54.77 2h3c n TRP 44 Cb 0.00 -2.11 -0.05 0.00 -0.00 0.00 0.00 31.31 29.15 2h3c n TRP 44 CO 0.00 0.00 0.00 -1.59 -0.00 0.00 0.00 177.69 176.10 2h3c s LYS 45 N 3.78 3.88 -0.15 5.87 -2.85 -1.26 -5.09 119.74 123.91 2h3c s LYS 45 Ca 0.53 0.51 0.02 0.00 -1.00 0.00 0.00 55.97 56.02 2h3c s LYS 45 Cb 0.14 -2.46 0.02 0.00 -2.06 0.00 0.00 37.83 33.47 2h3c s LYS 45 CO -0.00 0.12 -0.20 0.14 0.10 0.00 0.00 175.35 175.51 2h3c s VAL 46 N -2.09 1.94 0.00 1.79 -7.23 -1.26 -5.12 120.40 108.43 2h3c s VAL 46 Ca 0.52 -0.89 0.00 0.00 -1.81 0.00 0.00 61.98 59.80 2h3c s VAL 46 Cb -0.10 -1.74 0.00 0.00 0.56 0.00 0.00 36.38 35.09 2h3c s VAL 46 CO 0.23 0.52 0.00 1.21 -0.31 0.00 0.00 175.10 176.76 2h3c n GLU 47 N 4.36 2.51 -0.42 4.82 0.00 -1.26 -5.11 120.64 125.53 2h3c n GLU 47 Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 57.16 56.96 2h3c n GLU 47 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.95 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 -0.08 -1.71 -3.52 4.31 2.85 -1.26 -5.13 115.26 110.72 2h3c n ASN 48 Ca 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.47 2h3c n ASN 48 Cb 0.00 -0.84 -0.05 0.00 1.24 0.00 0.00 39.78 40.13 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 -3.01 0.28 0.00 1.20 0.00 -1.26 -5.12 119.66 111.75 2h3c s GLN 49 Ca 0.00 0.57 0.00 0.00 -0.00 0.00 0.00 55.36 55.93 2h3c s GLN 49 Cb 0.00 0.20 0.00 0.00 0.00 0.00 0.00 33.01 33.21 2h3c s GLN 49 CO 0.00 -0.07 0.00 -1.91 0.00 0.00 0.00 175.29 173.31 2h3c n GLU 50 N 4.17 0.00 -2.66 9.60 0.00 -1.26 -5.05 120.64 125.44 2h3c n GLU 50 Ca -0.14 0.06 -0.04 0.00 0.00 0.00 0.00 57.16 57.04 2h3c n GLU 50 Cb 0.55 -0.37 0.06 0.00 0.00 0.00 0.00 31.44 31.69 2h3c n GLU 50 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2h3c n GLY 51 N 2.08 -1.91 3.16 8.31 0.00 -1.26 -5.17 105.19 110.39 2h3c n GLY 51 Ca 0.00 1.22 -0.09 0.00 0.00 0.00 0.00 46.02 47.15 2h3c n GLY 51 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 2h3c s MET 52 N 0.41 0.87 -0.09 1.61 0.23 -1.26 -5.11 119.30 115.96 2h3c s MET 52 Ca 0.24 -1.33 -0.09 0.00 -1.03 0.00 0.00 55.69 53.49 2h3c s MET 52 Cb 0.18 0.26 -0.03 0.00 -1.53 0.00 0.00 34.83 33.71 2h3c s MET 52 CO -0.08 -0.24 -0.17 0.28 -2.03 0.00 0.00 175.02 172.78 2h3c n VAL 53 N -0.06 0.73 -3.18 5.16 0.31 -1.26 -5.01 118.33 115.03 2h3c n VAL 53 Ca -0.08 0.33 -0.32 0.00 -0.01 0.00 0.00 64.34 64.25 2h3c n VAL 53 Cb 0.63 -1.92 -0.06 0.00 -0.91 0.00 0.00 33.84 31.58 2h3c n VAL 53 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 2h3c s GLU 54 N -1.91 3.97 0.00 5.55 8.01 -1.26 -5.00 118.70 128.05 2h3c s GLU 54 Ca -0.14 0.61 0.00 0.00 0.01 0.00 0.00 54.97 55.45 2h3c s GLU 54 Cb 0.02 -2.47 0.00 0.00 -4.31 0.00 0.00 34.13 27.37 2h3c s GLU 54 CO 0.20 0.18 0.60 0.28 0.01 0.00 0.00 175.26 176.54 2h3c n VAL 55 N -0.32 0.33 -1.71 2.63 0.31 -1.26 -5.07 118.33 113.24 2h3c n VAL 55 Ca 0.03 -0.56 -0.43 0.00 -0.01 0.00 0.00 64.34 63.37 2h3c n VAL 55 Cb 0.53 0.96 -0.02 0.00 -0.91 0.00 0.00 33.84 34.40 2h3c n VAL 55 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2h3c n ALA 56 N -0.17 1.72 0.08 3.52 0.00 -1.26 -4.85 120.51 119.56 2h3c n ALA 56 Ca 0.00 0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.82 2h3c n ALA 56 Cb 0.16 -2.34 0.00 0.00 0.00 0.00 0.00 19.45 17.27 2h3c n ALA 56 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2h3c n ARG 57 N 1.57 0.00 0.00 0.00 1.74 -1.26 -5.16 116.66 113.55 2h3c n ARG 57 Ca 0.08 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.16 2h3c n ARG 57 Cb 0.35 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.79 2h3c n ARG 57 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 2h3c n PHE 58 N -2.93 0.00 -1.60 -1.55 -0.00 -1.26 -5.13 117.46 104.99 2h3c n PHE 58 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 57.45 57.44 2h3c n PHE 58 Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 39.48 39.47 2h3c n PHE 58 CO 0.00 0.00 0.00 -0.89 -0.00 0.00 0.00 176.76 175.87 2h3c n ILE 59 N 0.00 -4.25 -0.14 -2.13 -0.00 -1.26 -4.96 119.36 106.62 2h3c n ILE 59 Ca 0.00 0.38 -0.11 0.00 -0.00 0.00 0.00 62.75 63.02 2h3c n ILE 59 Cb 0.00 -3.86 -0.02 0.00 -0.00 0.00 0.00 39.64 35.77 2h3c n ILE 59 CO 0.00 0.00 0.00 -0.33 -0.00 0.00 0.00 176.55 176.22 2h3c h GLU 60 N 0.55 0.77 -6.39 0.38 4.39 -2.08 -3.43 114.58 108.76 2h3c h GLU 60 Ca -0.07 -0.28 -0.53 0.00 0.34 0.00 0.00 59.36 58.82 2h3c h GLU 60 Cb 0.16 -0.05 0.02 0.00 -0.10 0.00 0.00 28.75 28.78 2h3c h GLU 60 CO 0.00 0.89 1.16 -1.64 -1.16 0.00 0.00 179.01 178.26 2h3c s MET 61 N -4.84 4.15 0.06 2.33 -1.94 -1.26 -4.87 119.30 112.93 2h3c s MET 61 Ca -0.13 2.53 -0.38 0.00 -1.71 0.00 0.00 55.69 56.01 2h3c s MET 61 Cb 0.10 -3.95 -0.18 0.00 2.01 0.00 0.00 34.83 32.82 2h3c s MET 61 CO 0.81 -0.89 1.23 0.09 -0.01 0.00 0.00 175.02 176.25 2h3c n ASN 62 N 6.85 1.02 -4.56 3.03 3.02 -1.26 -4.80 115.26 118.55 2h3c n ASN 62 Ca 0.19 1.13 -0.32 0.00 -0.03 0.00 0.00 54.58 55.55 2h3c n ASN 62 Cb 0.40 -1.09 -0.04 0.00 -0.61 0.00 0.00 39.78 38.44 2h3c n ASN 62 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 2h3c s GLY 63 N 0.29 0.41 0.00 7.41 0.00 -1.26 -4.84 107.32 109.33 2h3c s GLY 63 Ca 0.86 -1.45 0.00 0.00 0.00 0.00 0.00 44.72 44.14 2h3c s GLY 63 CO 0.51 3.29 0.00 -1.26 0.00 0.00 0.00 173.10 175.63 2h3c n SER 64 N 12.57 -0.17 -3.35 1.64 2.88 -1.26 -4.65 113.62 121.28 2h3c n SER 64 Ca 0.32 0.00 -0.21 0.00 -1.33 0.00 0.00 58.87 57.65 2h3c n SER 64 Cb 0.49 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.86 2h3c n SER 64 CO 0.00 0.00 0.00 0.12 -1.23 0.00 0.00 175.04 173.93 2h3c s PHE 65 N 0.00 0.13 0.00 0.66 5.36 -1.26 -5.09 117.98 117.78 2h3c s PHE 65 Ca 0.00 -1.31 0.00 0.00 -0.96 0.00 0.00 56.93 54.66 2h3c s PHE 65 Cb 0.00 -0.58 0.00 0.00 -0.34 0.00 0.00 43.02 42.10 2h3c s PHE 65 CO 0.00 -0.93 0.00 0.00 -1.46 0.00 0.00 175.22 172.83 2h3c n ALA 66 N 3.82 0.00 -3.40 11.12 0.00 -1.26 -4.95 120.51 125.84 2h3c n ALA 66 Ca 0.16 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.33 2h3c n ALA 66 Cb 0.44 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.81 2h3c n ALA 66 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2h3c n ASP 67 N 0.00 2.50 -2.61 0.00 2.03 -1.26 -4.93 116.55 112.27 2h3c n ASP 67 Ca 0.00 -3.16 -0.32 0.00 0.52 0.00 0.00 54.79 51.83 2h3c n ASP 67 Cb 0.00 -0.66 -0.00 0.00 -0.72 0.00 0.00 41.12 39.73 2h3c n ASP 67 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 2h3c n GLU 68 N 1.20 2.52 0.00 -0.67 -0.58 -1.26 -4.75 120.64 117.10 2h3c n GLU 68 Ca 0.27 -2.83 0.00 0.00 -0.42 0.00 0.00 57.16 54.17 2h3c n GLU 68 Cb 0.44 -2.17 0.00 0.00 -0.57 0.00 0.00 31.44 29.14 2h3c n GLU 68 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 2h3c n ASN 69 N 0.15 0.00 -3.01 1.62 2.85 -1.26 -3.94 115.26 111.67 2h3c n ASN 69 Ca 0.51 0.64 -0.17 0.00 -0.11 0.00 0.00 54.58 55.45 2h3c n ASN 69 Cb 0.43 -0.27 -0.03 0.00 1.24 0.00 0.00 39.78 41.16 2h3c n ASN 69 CO 0.00 0.00 0.00 1.17 -2.11 0.00 0.00 177.26 176.32 2h3c n LYS 70 N -1.31 1.69 0.00 1.20 3.00 -1.26 -4.76 118.16 116.71 2h3c n LYS 70 Ca 0.00 -1.20 0.00 0.00 -0.00 0.00 0.00 58.31 57.11 2h3c n LYS 70 Cb 0.00 -2.29 0.00 0.00 0.00 0.00 0.00 35.03 32.74 2h3c n LYS 70 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 2h3c n ASP 71 N 4.07 0.00 0.00 3.14 9.92 -1.25 -5.15 116.55 127.28 2h3c n ASP 71 Ca 0.36 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.62 2h3c n ASP 71 Cb 0.16 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.64 2h3c n ASP 71 CO 0.00 0.00 0.00 1.87 0.13 0.00 0.00 177.20 179.20