#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 1.60 -0.36 2.12 0.00 -1.26 -5.07 119.74 116.77 2h3c s LYS 2 Ca 0.00 -1.78 -0.11 0.00 0.00 0.00 0.00 55.97 54.08 2h3c s LYS 2 Cb 0.00 -3.14 0.02 0.00 0.00 0.00 0.00 37.83 34.71 2h3c s LYS 2 CO 0.00 -0.88 0.20 -1.14 0.00 0.00 0.00 175.35 173.54 2h3c s GLN 3 N 0.94 3.01 -0.56 1.78 0.74 -1.26 -5.03 119.66 119.28 2h3c s GLN 3 Ca 0.07 -0.96 -0.28 0.00 0.05 0.00 0.00 55.36 54.25 2h3c s GLN 3 Cb -0.19 -3.71 0.02 0.00 1.10 0.00 0.00 33.01 30.23 2h3c s GLN 3 CO -0.08 -0.62 1.31 0.50 -0.55 0.00 0.00 175.29 175.86 2h3c s ARG 4 N 1.59 3.42 -0.25 1.67 3.52 -1.26 -4.95 118.95 122.68 2h3c s ARG 4 Ca 0.03 0.39 -0.09 0.00 -0.13 0.00 0.00 55.73 55.94 2h3c s ARG 4 Cb -0.18 -4.07 -0.04 0.00 -1.56 0.00 0.00 34.95 29.10 2h3c s ARG 4 CO 0.07 -1.80 0.11 0.96 -0.81 0.00 0.00 175.30 173.83 2h3c s ILE 5 N 5.52 4.68 -0.12 4.11 -4.36 -1.26 -5.07 121.20 124.70 2h3c s ILE 5 Ca 0.49 -0.05 0.01 0.00 -0.26 0.00 0.00 60.65 60.84 2h3c s ILE 5 Cb -0.09 -3.19 0.02 0.00 1.25 0.00 0.00 42.46 40.44 2h3c s ILE 5 CO 0.26 0.32 -0.15 0.42 0.24 0.00 0.00 174.94 176.03 2h3c s THR 6 N 1.54 1.55 -0.44 8.37 -4.23 -1.26 -5.09 115.64 116.08 2h3c s THR 6 Ca 0.06 -0.66 -0.15 0.00 -1.18 0.00 0.00 61.69 59.76 2h3c s THR 6 Cb -0.15 -1.42 0.04 0.00 1.34 0.00 0.00 72.50 72.31 2h3c s THR 6 CO 0.06 0.45 0.35 -0.69 -0.54 0.00 0.00 174.62 174.25 2h3c s VAL 7 N 1.09 5.24 -0.91 2.29 1.01 -1.26 -5.01 120.40 122.85 2h3c s VAL 7 Ca -0.04 -0.80 -0.24 0.00 0.00 0.00 0.00 61.98 60.90 2h3c s VAL 7 Cb -0.14 -4.02 -0.04 0.00 0.00 0.00 0.00 36.38 32.18 2h3c s VAL 7 CO -0.04 -0.43 1.90 0.42 0.00 0.00 0.00 175.10 176.96 2h3c s THR 8 N 1.70 3.49 0.00 3.92 -4.23 -1.26 -4.91 115.64 114.36 2h3c s THR 8 Ca 0.05 -0.41 0.00 0.00 -1.18 0.00 0.00 61.69 60.15 2h3c s THR 8 Cb -0.21 -4.10 0.00 0.00 1.34 0.00 0.00 72.50 69.53 2h3c s THR 8 CO 0.09 -1.03 0.00 0.52 -0.54 0.00 0.00 174.62 173.66 2h3c n VAL 9 N 7.79 0.00 -0.01 2.29 0.31 -1.26 -4.77 118.33 122.69 2h3c n VAL 9 Ca 0.40 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.73 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 0.05 4.52 2.03 -1.26 -4.58 116.55 117.31 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 0.05 0.00 1.67 2.88 -1.26 -5.05 113.62 111.91 2h3c n SER 11 Ca 0.00 0.18 0.00 0.00 -1.33 0.00 0.00 58.87 57.72 2h3c n SER 11 Cb 0.00 0.10 0.00 0.00 -0.75 0.00 0.00 64.21 63.56 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 -2.99 0.00 -1.22 -3.46 8.00 -1.26 -4.87 116.55 110.75 2h3c n ASP 12 Ca 0.00 0.00 -0.01 0.00 0.71 0.00 0.00 54.79 55.49 2h3c n ASP 12 Cb 0.07 0.00 0.01 0.00 -0.02 0.00 0.00 41.12 41.18 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 0.00 -0.27 0.10 -2.24 7.64 -1.26 -4.89 113.62 112.70 2h3c n SER 13 Ca 0.00 -0.88 -0.22 0.00 1.01 0.00 0.00 58.87 58.78 2h3c n SER 13 Cb 0.00 0.11 -0.15 0.00 -1.01 0.00 0.00 64.21 63.16 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 0.12 0.74 -0.83 1.43 3.20 -1.98 -3.39 116.97 116.25 2h3c h TYR 14 Ca -0.11 -0.54 0.19 0.00 3.14 0.00 0.00 58.73 61.41 2h3c h TYR 14 Cb 0.89 -0.03 -0.12 0.00 1.54 0.00 0.00 36.73 39.02 2h3c h TYR 14 CO -0.13 1.55 0.30 -0.56 -1.64 0.00 0.00 178.16 177.68 2h3c h GLN 15 N 0.11 0.34 -0.71 1.82 3.07 -1.98 -1.90 115.11 115.86 2h3c h GLN 15 Ca -0.28 -0.02 0.10 0.00 0.09 0.00 0.00 58.65 58.54 2h3c h GLN 15 Cb 2.10 -0.08 -0.07 0.00 0.08 0.00 0.00 27.48 29.51 2h3c h GLN 15 CO 0.21 0.23 0.35 1.25 0.09 0.00 0.00 178.83 180.95 2h3c h LEU 16 N 0.35 0.44 0.19 0.06 6.46 -1.97 1.84 115.31 122.69 2h3c h LEU 16 Ca 0.50 0.07 -0.00 0.00 -0.12 0.00 0.00 57.88 58.32 2h3c h LEU 16 Cb 0.89 -0.01 -0.01 0.00 -0.73 0.00 0.00 40.66 40.81 2h3c h LEU 16 CO -0.52 0.25 -0.13 0.25 -0.62 0.00 0.00 178.44 177.67 2h3c h LEU 17 N 0.58 -0.32 -0.62 2.25 7.12 -1.60 -1.41 115.31 121.32 2h3c h LEU 17 Ca 0.36 0.02 -0.14 0.00 0.13 0.00 0.00 57.88 58.25 2h3c h LEU 17 Cb 0.39 0.10 -0.02 0.00 -0.53 0.00 0.00 40.66 40.60 2h3c h LEU 17 CO -0.28 -0.20 -0.66 0.07 -0.13 0.00 0.00 178.44 177.24 2h3c h LYS 18 N -0.31 0.00 0.00 1.25 2.10 -1.26 -1.40 116.57 116.94 2h3c h LYS 18 Ca -0.01 0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 58.62 2h3c h LYS 18 Cb 0.27 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.59 2h3c h LYS 18 CO 0.01 0.66 -0.10 0.00 -2.00 0.00 0.00 179.45 178.02 2h3c h ALA 19 N 1.34 1.64 0.08 0.07 0.00 0.32 -2.85 119.26 119.86 2h3c h ALA 19 Ca -0.01 -0.09 -0.28 0.00 0.00 0.00 0.00 54.91 54.54 2h3c h ALA 19 Cb 1.21 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.96 2h3c h ALA 19 CO 0.09 0.12 -1.49 0.10 0.00 0.00 0.00 179.25 178.06 2h3c h TYR 20 N 0.00 0.29 0.00 0.00 -0.00 -1.06 -3.49 116.97 112.71 2h3c h TYR 20 Ca -0.00 -0.21 0.00 0.00 0.00 0.00 0.00 58.73 58.52 2h3c h TYR 20 Cb 0.19 -0.01 0.00 0.00 0.00 0.00 0.00 36.73 36.91 2h3c h TYR 20 CO 0.00 1.59 0.00 -3.47 -0.00 0.00 0.00 178.16 176.28 2h3c n ASP 21 N -3.99 0.00 -3.20 0.10 2.03 -0.98 -5.07 116.55 105.44 2h3c n ASP 21 Ca -0.29 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.02 2h3c n ASP 21 Cb 0.86 0.00 -0.02 0.00 -0.72 0.00 0.00 41.12 41.24 2h3c n ASP 21 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 2h3c s VAL 22 N 0.00 -0.90 0.00 5.18 1.01 -0.57 -4.97 120.40 120.15 2h3c s VAL 22 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 61.98 61.89 2h3c s VAL 22 Cb 0.00 -0.89 0.00 0.00 0.00 0.00 0.00 36.38 35.49 2h3c s VAL 22 CO 0.00 -0.08 0.00 0.59 0.00 0.00 0.00 175.10 175.61 2h3c n ASN 23 N 5.28 0.00 0.00 3.32 3.02 -1.26 -2.71 115.26 122.90 2h3c n ASN 23 Ca 0.05 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.60 2h3c n ASN 23 Cb 0.53 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.70 2h3c n ASN 23 CO 0.00 0.00 0.00 2.30 -2.62 0.00 0.00 177.26 176.94 2h3c n ILE 24 N 0.00 0.00 -0.22 2.41 -6.64 -1.26 -4.44 119.36 109.21 2h3c n ILE 24 Ca 0.00 0.00 -0.06 0.00 -1.77 0.00 0.00 62.75 60.92 2h3c n ILE 24 Cb 0.00 0.66 -0.05 0.00 -1.44 0.00 0.00 39.64 38.80 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 -0.56 0.04 7.28 2.88 -1.26 0.33 113.62 122.33 2h3c n SER 25 Ca 0.00 1.38 -0.00 0.00 -1.33 0.00 0.00 58.87 58.91 2h3c n SER 25 Cb 0.40 -0.34 -0.07 0.00 -0.75 0.00 0.00 64.21 63.44 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 0.73 0.46 0.00 -1.98 -3.30 103.07 98.98 2h3c h GLY 26 Ca 0.08 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.38 2h3c h GLY 26 CO -0.49 0.00 -0.41 -2.00 0.00 0.00 0.00 176.54 173.63 2h3c h LEU 27 N 0.00 -1.03 0.00 3.11 6.46 -1.72 0.24 115.31 122.38 2h3c h LEU 27 Ca -0.15 0.05 0.01 0.00 -0.12 0.00 0.00 57.88 57.68 2h3c h LEU 27 Cb 1.58 0.29 -0.04 0.00 -0.73 0.00 0.00 40.66 41.76 2h3c h LEU 27 CO 0.05 -0.66 -0.39 0.58 -0.62 0.00 0.00 178.44 177.40 2h3c h VAL 28 N -1.06 0.00 -0.84 1.05 2.07 -0.31 1.15 116.25 118.31 2h3c h VAL 28 Ca -0.10 0.00 0.18 0.00 0.82 0.00 0.00 66.70 67.61 2h3c h VAL 28 Cb 0.84 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 30.50 2h3c h VAL 28 CO 0.12 0.00 0.35 0.77 0.02 0.00 0.00 177.57 178.83 2h3c h SER 29 N -0.49 0.30 -0.04 0.57 4.64 -1.63 2.49 113.55 119.40 2h3c h SER 29 Ca 0.01 0.14 -0.05 0.00 -0.47 0.00 0.00 61.79 61.42 2h3c h SER 29 Cb 0.52 0.12 0.00 0.00 -0.31 0.00 0.00 62.40 62.73 2h3c h SER 29 CO -0.26 0.05 -0.15 0.00 -0.87 0.00 0.00 176.83 175.60 2h3c h THR 30 N 0.43 1.47 -0.42 2.95 1.03 0.14 -1.14 112.91 117.37 2h3c h THR 30 Ca 0.50 -1.62 -0.02 0.00 -0.01 0.00 0.00 66.41 65.27 2h3c h THR 30 Cb 0.86 2.43 -0.02 0.00 -1.07 0.00 0.00 68.15 70.35 2h3c h THR 30 CO -0.48 0.44 0.19 0.74 -0.01 0.00 0.00 175.52 176.41 2h3c h THR 31 N -0.40 1.15 0.56 0.00 2.02 0.22 -2.66 112.91 113.81 2h3c h THR 31 Ca -0.01 -0.43 -0.03 0.00 0.77 0.00 0.00 66.41 66.72 2h3c h THR 31 Cb 0.80 0.62 0.01 0.00 -1.74 0.00 0.00 68.15 67.84 2h3c h THR 31 CO 0.03 0.17 -0.27 0.24 0.37 0.00 0.00 175.52 176.07 2h3c h MET 32 N 0.59 -0.73 -0.99 6.66 2.86 0.43 0.22 114.93 123.98 2h3c h MET 32 Ca 0.15 0.05 0.25 0.00 -2.06 0.00 0.00 59.70 58.09 2h3c h MET 32 Cb 0.08 0.17 -0.07 0.00 0.06 0.00 0.00 31.60 31.83 2h3c h MET 32 CO -0.02 -0.42 0.66 -0.56 1.06 0.00 0.00 176.91 177.63 2h3c h GLN 33 N -0.95 0.28 0.01 1.72 -0.00 -1.00 2.45 115.11 117.61 2h3c h GLN 33 Ca -0.08 -0.02 -0.00 0.00 -0.00 0.00 0.00 58.65 58.56 2h3c h GLN 33 Cb 0.64 -0.06 0.00 0.00 -0.00 0.00 0.00 27.48 28.06 2h3c h GLN 33 CO 0.13 0.19 -0.00 -0.91 -0.00 0.00 0.00 178.83 178.23 2h3c h ASN 34 N 0.29 -0.01 0.64 0.06 2.35 -1.23 -0.92 115.58 116.76 2h3c h ASN 34 Ca 0.52 -0.75 -0.03 0.00 -0.55 0.00 0.00 56.30 55.50 2h3c h ASN 34 Cb 1.52 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.88 2h3c h ASN 34 CO -0.18 0.75 -0.13 -0.33 -1.65 0.00 0.00 177.43 175.89 2h3c h GLU 35 N -0.78 0.00 0.00 0.81 4.39 0.10 0.62 114.58 119.73 2h3c h GLU 35 Ca -0.00 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.70 2h3c h GLU 35 Cb 0.75 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.40 2h3c h GLU 35 CO 0.00 0.13 -0.00 0.00 -1.16 0.00 0.00 179.01 177.98 2h3c h ALA 36 N 1.87 -0.01 0.38 3.43 0.00 0.41 0.39 119.26 125.73 2h3c h ALA 36 Ca -0.00 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 54.57 2h3c h ALA 36 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.29 2h3c h ALA 36 CO 0.02 -0.18 -0.18 0.00 0.00 0.00 0.00 179.25 178.91 2h3c h ARG 37 N -0.66 -0.49 -0.37 0.00 2.47 -0.83 -3.29 114.38 111.22 2h3c h ARG 37 Ca -0.00 0.03 -0.00 0.00 -1.26 0.00 0.00 59.98 58.75 2h3c h ARG 37 Cb 0.65 0.11 -0.02 0.00 -1.65 0.00 0.00 29.97 29.06 2h3c h ARG 37 CO 0.00 -0.17 0.22 -0.09 0.56 0.00 0.00 179.97 180.49 2h3c h ARG 38 N -0.90 0.51 -6.40 0.04 9.65 0.12 -3.47 114.38 113.93 2h3c h ARG 38 Ca -0.05 -0.05 -0.33 0.00 -1.10 0.00 0.00 59.98 58.44 2h3c h ARG 38 Cb 0.54 -0.10 -0.00 0.00 -1.39 0.00 0.00 29.97 29.01 2h3c h ARG 38 CO 0.09 0.40 -0.69 -0.11 2.80 0.00 0.00 179.97 182.45 2h3c n LEU 39 N -4.78 -0.84 0.00 3.80 0.00 0.14 -4.89 117.00 110.42 2h3c n LEU 39 Ca -0.00 -0.68 0.00 0.00 0.00 0.00 0.00 56.01 55.33 2h3c n LEU 39 Cb 0.06 -1.00 0.00 0.00 0.00 0.00 0.00 43.42 42.48 2h3c n LEU 39 CO 0.35 0.34 0.00 -1.14 0.00 0.00 0.00 177.39 176.94 2h3c n ARG 40 N -2.31 0.00 0.00 1.96 0.63 -1.26 -5.08 116.66 110.59 2h3c n ARG 40 Ca -0.17 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.76 2h3c n ARG 40 Cb 0.42 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.33 2h3c n ARG 40 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2h3c n ALA 41 N -2.51 0.00 -2.95 5.13 0.00 -1.26 -5.19 120.51 113.73 2h3c n ALA 41 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2h3c n ALA 41 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 -0.56 0.00 -4.55 0.00 2.13 -1.26 -5.20 120.64 111.21 2h3c n GLU 42 Ca 0.00 0.00 -0.27 0.00 0.66 0.00 0.00 57.16 57.55 2h3c n GLU 42 Cb 0.00 0.00 -0.08 0.00 0.27 0.00 0.00 31.44 31.63 2h3c n GLU 42 CO 0.00 0.00 0.00 0.50 -0.41 0.00 0.00 177.13 177.22 2h3c s ARG 43 N 2.39 1.99 0.38 5.31 6.06 -1.26 -5.18 118.95 128.64 2h3c s ARG 43 Ca 0.00 -2.23 0.04 0.00 -2.50 0.00 0.00 55.73 51.04 2h3c s ARG 43 Cb 0.00 -0.69 -0.03 0.00 0.06 0.00 0.00 34.95 34.29 2h3c s ARG 43 CO 0.00 -0.49 0.12 -1.58 -2.50 0.00 0.00 175.30 170.84 2h3c s TRP 44 N -3.16 1.80 -0.05 5.12 0.51 -1.26 -5.13 118.94 116.78 2h3c s TRP 44 Ca 0.21 -1.22 -0.30 0.00 -2.12 0.00 0.00 56.10 52.67 2h3c s TRP 44 Cb 0.02 -1.16 -0.02 0.00 -0.81 0.00 0.00 33.47 31.49 2h3c s TRP 44 CO 0.13 -0.25 0.98 0.21 -0.51 0.00 0.00 176.95 177.52 2h3c s LYS 45 N -3.76 4.50 -0.70 4.98 2.20 -1.26 -4.88 119.74 120.82 2h3c s LYS 45 Ca 0.27 1.39 -0.27 0.00 -0.36 0.00 0.00 55.97 56.99 2h3c s LYS 45 Cb 0.04 -3.49 0.03 0.00 -1.51 0.00 0.00 37.83 32.89 2h3c s LYS 45 CO 0.15 -0.16 1.32 0.14 -0.36 0.00 0.00 175.35 176.44 2h3c s VAL 46 N 1.42 3.74 -1.04 4.02 -7.23 -1.26 -4.38 120.40 115.67 2h3c s VAL 46 Ca 0.50 0.48 -0.02 0.00 -1.81 0.00 0.00 61.98 61.13 2h3c s VAL 46 Cb -0.20 -4.80 0.02 0.00 0.56 0.00 0.00 36.38 31.96 2h3c s VAL 46 CO 0.23 -1.69 0.04 -0.62 -0.31 0.00 0.00 175.10 172.76 2h3c n GLU 47 N 9.20 -0.94 -2.56 4.82 1.02 -1.26 0.10 120.64 131.03 2h3c n GLU 47 Ca 0.05 0.06 -0.17 0.00 -0.02 0.00 0.00 57.16 57.09 2h3c n GLU 47 Cb 0.49 -2.44 -0.00 0.00 -0.02 0.00 0.00 31.44 29.47 2h3c n GLU 47 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 2h3c n ASN 48 N -1.75 -4.73 -4.92 1.62 5.15 -1.26 -4.97 115.26 104.39 2h3c n ASN 48 Ca -0.18 0.04 -0.28 0.00 -0.60 0.00 0.00 54.58 53.56 2h3c n ASN 48 Cb 0.44 -3.96 -0.03 0.00 -0.53 0.00 0.00 39.78 35.70 2h3c n ASN 48 CO 0.00 0.00 0.00 -1.58 1.40 0.00 0.00 177.26 177.08 2h3c s GLN 49 N -5.18 3.54 -0.57 1.20 -0.44 0.29 -4.96 119.66 113.55 2h3c s GLN 49 Ca 0.06 -0.27 -0.08 0.00 -2.50 0.00 0.00 55.36 52.58 2h3c s GLN 49 Cb -0.03 -2.81 -0.07 0.00 -1.64 0.00 0.00 33.01 28.47 2h3c s GLN 49 CO 0.07 0.37 1.72 0.39 0.50 0.00 0.00 175.29 178.35 2h3c n GLU 50 N -0.67 1.26 0.00 1.67 1.02 -1.26 -4.49 120.64 118.17 2h3c n GLU 50 Ca -0.04 -1.19 0.00 0.00 -0.02 0.00 0.00 57.16 55.91 2h3c n GLU 50 Cb 0.54 -2.38 0.00 0.00 -0.02 0.00 0.00 31.44 29.58 2h3c n GLU 50 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2h3c n GLY 51 N 4.01 -0.18 7.00 0.62 0.00 -1.26 -5.08 105.19 110.29 2h3c n GLY 51 Ca 0.32 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.34 2h3c n GLY 51 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 2h3c n MET 52 N -0.31 0.00 -0.01 1.61 0.00 -1.26 -4.78 117.12 112.36 2h3c n MET 52 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 57.70 57.68 2h3c n MET 52 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 33.22 33.21 2h3c n MET 52 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 175.97 177.30 2h3c n VAL 53 N -0.29 0.63 0.00 3.17 0.24 -1.26 -5.09 118.33 115.74 2h3c n VAL 53 Ca 0.00 0.27 0.00 0.00 -2.04 0.00 0.00 64.34 62.57 2h3c n VAL 53 Cb 0.00 -1.63 0.00 0.00 -1.47 0.00 0.00 33.84 30.74 2h3c n VAL 53 CO 0.00 0.00 0.00 1.21 -2.14 0.00 0.00 176.83 175.90 2h3c n GLU 54 N -3.21 0.00 -3.84 7.34 0.00 -1.26 -5.06 120.64 114.61 2h3c n GLU 54 Ca -0.04 0.00 -0.26 0.00 0.00 0.00 0.00 57.16 56.86 2h3c n GLU 54 Cb 0.14 0.00 0.02 0.00 0.00 0.00 0.00 31.44 31.60 2h3c n GLU 54 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.13 177.41 2h3c n VAL 55 N -2.37 -3.22 0.00 6.31 0.31 -1.26 -4.70 118.33 113.40 2h3c n VAL 55 Ca 0.00 -0.30 0.00 0.00 -0.01 0.00 0.00 64.34 64.03 2h3c n VAL 55 Cb 0.00 -3.16 0.00 0.00 -0.91 0.00 0.00 33.84 29.77 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 -4.44 -0.26 -1.77 3.52 0.00 -1.26 -4.84 120.51 111.45 2h3c n ALA 56 Ca -0.16 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 52.90 2h3c n ALA 56 Cb 0.62 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 20.02 2h3c n ALA 56 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 2h3c s ARG 57 N 0.00 4.35 0.16 0.00 1.70 -1.26 -4.97 118.95 118.94 2h3c s ARG 57 Ca 0.00 1.58 -0.32 0.00 -0.47 0.00 0.00 55.73 56.52 2h3c s ARG 57 Cb 0.00 -2.77 -0.12 0.00 -0.57 0.00 0.00 34.95 31.49 2h3c s ARG 57 CO 0.00 0.01 1.75 1.97 -1.08 0.00 0.00 175.30 177.95 2h3c n PHE 58 N 0.39 2.62 0.02 5.89 -1.74 -1.26 -4.89 117.46 118.49 2h3c n PHE 58 Ca 0.03 0.01 0.04 0.00 -0.56 0.00 0.00 57.45 56.96 2h3c n PHE 58 Cb 0.48 -2.67 -0.05 0.00 1.52 0.00 0.00 39.48 38.75 2h3c n PHE 58 CO 0.00 0.00 0.00 1.51 -0.56 0.00 0.00 176.76 177.71 2h3c n ILE 59 N 4.18 0.00 -1.55 1.97 0.13 -1.26 -4.96 119.36 117.87 2h3c n ILE 59 Ca 0.17 -0.18 -0.31 0.00 -1.10 0.00 0.00 62.75 61.33 2h3c n ILE 59 Cb 0.34 0.39 -0.04 0.00 -0.84 0.00 0.00 39.64 39.49 2h3c n ILE 59 CO 0.00 0.00 0.00 1.21 2.80 0.00 0.00 176.55 180.56 2h3c n GLU 60 N -1.70 0.90 -2.06 9.51 4.07 -1.26 -4.92 120.64 125.18 2h3c n GLU 60 Ca -0.01 -0.19 -0.36 0.00 -0.06 0.00 0.00 57.16 56.53 2h3c n GLU 60 Cb 0.18 -3.44 0.02 0.00 -0.06 0.00 0.00 31.44 28.15 2h3c n GLU 60 CO 0.00 0.00 0.00 1.41 -0.06 0.00 0.00 177.13 178.48 2h3c s MET 61 N 8.45 3.14 -0.67 5.31 -2.45 -1.26 -3.60 119.30 128.22 2h3c s MET 61 Ca 0.98 1.83 -0.04 0.00 -1.25 0.00 0.00 55.69 57.21 2h3c s MET 61 Cb -0.20 -2.03 0.00 0.00 1.25 0.00 0.00 34.83 33.86 2h3c s MET 61 CO 0.23 -1.07 0.46 -1.71 1.05 0.00 0.00 175.02 173.98 2h3c n ASN 62 N -1.36 -3.93 0.00 1.11 5.15 -1.26 -5.03 115.26 109.93 2h3c n ASN 62 Ca 0.12 -0.21 0.00 0.00 -0.60 0.00 0.00 54.58 53.89 2h3c n ASN 62 Cb 0.49 -2.61 0.00 0.00 -0.53 0.00 0.00 39.78 37.14 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 -1.18 4.91 0.00 8.20 0.00 -1.24 -5.14 105.19 110.75 2h3c n GLY 63 Ca -0.01 -1.77 0.00 0.00 0.00 0.00 0.00 46.02 44.24 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 0.00 0.00 -2.84 1.61 7.64 -1.26 -5.13 113.62 113.65 2h3c n SER 64 Ca 0.00 0.00 -0.00 0.00 1.01 0.00 0.00 58.87 59.88 2h3c n SER 64 Cb 0.00 0.00 -0.00 0.00 -1.01 0.00 0.00 64.21 63.20 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 -2.99 -0.04 1.43 3.01 -1.26 -4.89 117.46 112.72 2h3c n PHE 65 Ca 0.00 1.37 -0.10 0.00 1.01 0.00 0.00 57.45 59.73 2h3c n PHE 65 Cb 0.00 -3.21 -0.07 0.00 -0.01 0.00 0.00 39.48 36.19 2h3c n PHE 65 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2h3c h ALA 66 N 3.33 -0.69 -2.52 4.37 0.00 -2.00 -3.44 119.26 118.31 2h3c h ALA 66 Ca -0.04 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.74 2h3c h ALA 66 Cb 0.34 0.92 -0.22 0.00 0.00 0.00 0.00 17.79 18.83 2h3c h ALA 66 CO 0.07 -0.84 -0.17 0.16 0.00 0.00 0.00 179.25 178.46 2h3c s ASP 67 N -4.17 -0.39 -0.03 0.00 -4.77 -1.26 -5.06 116.67 100.99 2h3c s ASP 67 Ca -0.10 0.59 0.04 0.00 -3.30 0.00 0.00 52.55 49.78 2h3c s ASP 67 Cb 0.05 0.65 0.06 0.00 -1.09 0.00 0.00 42.92 42.59 2h3c s ASP 67 CO 0.41 -0.32 0.98 1.21 0.70 0.00 0.00 175.17 178.15 2h3c n GLU 68 N 2.03 0.35 -2.76 2.11 0.00 -1.26 -5.06 120.64 116.05 2h3c n GLU 68 Ca -0.17 -1.27 -0.07 0.00 0.00 0.00 0.00 57.16 55.65 2h3c n GLU 68 Cb 0.57 -0.71 0.01 0.00 0.00 0.00 0.00 31.44 31.30 2h3c n GLU 68 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 2h3c n ASN 69 N -0.30 -7.49 -3.86 4.31 3.02 -1.26 -5.07 115.26 104.62 2h3c n ASN 69 Ca 0.03 0.45 -0.11 0.00 -0.03 0.00 0.00 54.58 54.91 2h3c n ASN 69 Cb 0.65 -5.05 -0.11 0.00 -0.61 0.00 0.00 39.78 34.66 2h3c n ASN 69 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 2h3c s LYS 70 N -2.53 0.40 -0.08 3.52 3.01 -1.26 -5.09 119.74 117.70 2h3c s LYS 70 Ca 0.21 -0.23 -0.08 0.00 -1.01 0.00 0.00 55.97 54.86 2h3c s LYS 70 Cb -0.06 0.17 -0.03 0.00 -1.01 0.00 0.00 37.83 36.90 2h3c s LYS 70 CO 0.71 -0.09 -0.15 -0.40 0.51 0.00 0.00 175.35 175.93 2h3c n ASP 71 N 1.89 0.85 0.00 2.83 5.68 -1.26 -5.19 116.55 121.34 2h3c n ASP 71 Ca -0.20 0.16 0.00 0.00 -0.50 0.00 0.00 54.79 54.25 2h3c n ASP 71 Cb 0.56 -0.61 0.00 0.00 -1.14 0.00 0.00 41.12 39.94 2h3c n ASP 71 CO 0.00 0.00 0.00 1.87 -1.33 0.00 0.00 177.20 177.74