#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 -0.31 -4.01 3.17 4.76 -1.26 -5.07 118.16 115.45 2h3c n LYS 2 Ca 0.00 -0.67 -0.31 0.00 -2.87 0.00 0.00 58.31 54.46 2h3c n LYS 2 Cb 0.00 -0.40 -0.15 0.00 -1.84 0.00 0.00 35.03 32.64 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 -3.83 1.94 -0.38 1.97 -0.44 -1.26 -5.09 119.66 112.58 2h3c s GLN 3 Ca 0.23 -1.17 -0.26 0.00 -2.50 0.00 0.00 55.36 51.66 2h3c s GLN 3 Cb -0.01 -2.74 0.02 0.00 -1.64 0.00 0.00 33.01 28.64 2h3c s GLN 3 CO 0.16 -0.58 0.95 0.50 0.50 0.00 0.00 175.29 176.82 2h3c s ARG 4 N 1.24 3.83 -0.17 1.67 3.52 -1.26 -5.03 118.95 122.76 2h3c s ARG 4 Ca -0.07 0.58 -0.07 0.00 -0.13 0.00 0.00 55.73 56.04 2h3c s ARG 4 Cb -0.19 -3.81 -0.04 0.00 -1.56 0.00 0.00 34.95 29.35 2h3c s ARG 4 CO -0.06 -0.99 0.05 0.96 -0.81 0.00 0.00 175.30 174.46 2h3c s ILE 5 N 3.56 4.66 -0.10 4.11 -0.00 -1.26 -5.09 121.20 127.08 2h3c s ILE 5 Ca 0.39 -0.08 0.02 0.00 -0.00 0.00 0.00 60.65 60.97 2h3c s ILE 5 Cb -0.12 -3.08 0.02 0.00 -0.00 0.00 0.00 42.46 39.28 2h3c s ILE 5 CO 0.20 0.48 -0.13 0.28 -0.00 0.00 0.00 174.94 175.76 2h3c s THR 6 N 0.28 1.33 -0.42 8.37 -1.32 -1.26 -5.10 115.64 117.53 2h3c s THR 6 Ca 0.03 -0.55 -0.15 0.00 -1.21 0.00 0.00 61.69 59.81 2h3c s THR 6 Cb -0.13 -1.23 0.03 0.00 -1.51 0.00 0.00 72.50 69.66 2h3c s THR 6 CO 0.01 0.41 0.31 0.54 -2.21 0.00 0.00 174.62 173.67 2h3c s VAL 7 N 0.99 5.18 -0.79 5.08 0.11 -1.26 -4.98 120.40 124.73 2h3c s VAL 7 Ca -0.07 -0.76 -0.19 0.00 -2.93 0.00 0.00 61.98 58.02 2h3c s VAL 7 Cb -0.15 -3.93 -0.14 0.00 -1.53 0.00 0.00 36.38 30.64 2h3c s VAL 7 CO -0.01 -0.35 1.95 0.35 -3.33 0.00 0.00 175.10 173.71 2h3c n THR 8 N 5.15 1.92 0.00 5.04 -2.24 -1.26 -4.82 114.28 118.07 2h3c n THR 8 Ca -0.11 -1.57 0.00 0.00 -2.27 0.00 0.00 64.05 60.10 2h3c n THR 8 Cb 0.46 -2.29 0.00 0.00 -2.10 0.00 0.00 70.33 66.41 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 5.69 0.00 -0.63 2.28 3.14 -1.26 -4.77 118.33 122.78 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 0.36 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.14 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 -0.29 0.05 6.55 2.03 -1.26 -4.76 116.55 118.87 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 -0.05 0.00 0.00 -0.72 0.00 0.00 41.12 40.35 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 0.27 0.00 1.67 7.64 -1.26 -4.97 113.62 116.97 2h3c n SER 11 Ca 0.00 0.16 0.00 0.00 1.01 0.00 0.00 58.87 60.04 2h3c n SER 11 Cb 0.00 0.01 0.00 0.00 -1.01 0.00 0.00 64.21 63.21 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 -3.03 0.00 0.00 6.43 9.92 -1.26 -4.83 116.55 123.78 2h3c n ASP 12 Ca 0.00 0.37 0.00 0.00 -0.53 0.00 0.00 54.79 54.63 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 -0.70 0.00 -0.07 -2.24 7.64 -1.26 -5.06 113.62 111.93 2h3c n SER 13 Ca 0.00 0.00 -0.17 0.00 1.01 0.00 0.00 58.87 59.71 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 0.04 -1.07 1.43 3.20 -1.95 -3.39 116.97 115.23 2h3c h TYR 14 Ca 0.00 -0.03 0.28 0.00 3.14 0.00 0.00 58.73 62.12 2h3c h TYR 14 Cb 0.00 -0.00 -0.10 0.00 1.54 0.00 0.00 36.73 38.17 2h3c h TYR 14 CO 0.00 1.17 0.68 1.96 -1.64 0.00 0.00 178.16 180.33 2h3c h GLN 15 N -0.94 0.35 0.32 1.82 1.08 -1.97 -2.17 115.11 113.61 2h3c h GLN 15 Ca -0.11 -0.02 -0.02 0.00 -1.45 0.00 0.00 58.65 57.05 2h3c h GLN 15 Cb 1.14 -0.08 0.00 0.00 -0.05 0.00 0.00 27.48 28.50 2h3c h GLN 15 CO -0.05 0.23 -0.15 -0.07 -0.95 0.00 0.00 178.83 177.84 2h3c h LEU 16 N 0.37 -0.37 -0.72 1.46 3.38 -1.97 0.52 115.31 117.99 2h3c h LEU 16 Ca 0.62 -0.01 0.15 0.00 0.09 0.00 0.00 57.88 58.73 2h3c h LEU 16 Cb 1.61 0.09 -0.10 0.00 0.09 0.00 0.00 40.66 42.35 2h3c h LEU 16 CO -0.32 -0.23 0.18 -0.07 0.09 0.00 0.00 178.44 178.09 2h3c h LEU 17 N -0.47 0.04 -0.28 1.67 -0.00 -1.62 0.37 115.31 115.03 2h3c h LEU 17 Ca -0.04 0.14 -0.11 0.00 -0.00 0.00 0.00 57.88 57.86 2h3c h LEU 17 Cb 0.36 0.18 -0.02 0.00 -0.00 0.00 0.00 40.66 41.18 2h3c h LEU 17 CO 0.07 -0.01 -0.51 0.07 -0.00 0.00 0.00 178.44 178.06 2h3c h LYS 18 N 0.29 0.00 0.00 1.13 2.10 -1.49 -1.09 116.57 117.51 2h3c h LYS 18 Ca 0.40 0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 59.03 2h3c h LYS 18 Cb 0.66 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.98 2h3c h LYS 18 CO -0.48 0.51 -0.09 0.00 -2.00 0.00 0.00 179.45 177.39 2h3c h ALA 19 N 1.49 1.72 0.12 0.07 0.00 0.41 -2.57 119.26 120.50 2h3c h ALA 19 Ca -0.01 -0.08 -0.33 0.00 0.00 0.00 0.00 54.91 54.50 2h3c h ALA 19 Cb 1.28 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.04 2h3c h ALA 19 CO 0.07 0.11 -1.73 0.10 0.00 0.00 0.00 179.25 177.80 2h3c h TYR 20 N 0.00 0.48 0.00 0.00 -0.00 -0.89 -3.49 116.97 113.08 2h3c h TYR 20 Ca -0.00 -0.35 0.00 0.00 0.00 0.00 0.00 58.73 58.38 2h3c h TYR 20 Cb 0.17 -0.02 0.00 0.00 0.00 0.00 0.00 36.73 36.88 2h3c h TYR 20 CO 0.00 1.68 0.00 -3.47 -0.00 0.00 0.00 178.16 176.37 2h3c n ASP 21 N -3.71 0.00 -3.30 0.10 2.03 -0.97 -5.13 116.55 105.57 2h3c n ASP 21 Ca -0.29 0.00 -0.10 0.00 0.52 0.00 0.00 54.79 54.93 2h3c n ASP 21 Cb 0.98 0.00 -0.05 0.00 -0.72 0.00 0.00 41.12 41.33 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 -0.60 0.00 5.18 1.01 -0.44 -4.96 120.40 120.58 2h3c s VAL 22 Ca 0.00 -0.54 0.00 0.00 0.00 0.00 0.00 61.98 61.44 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 -0.34 0.00 -0.46 0.00 0.00 0.00 175.10 174.30 2h3c n ASN 23 N 4.56 0.00 0.00 3.32 0.23 -1.26 -3.31 115.26 118.80 2h3c n ASN 23 Ca 0.09 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.14 2h3c n ASN 23 Cb 0.50 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.20 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 -0.23 1.53 -6.64 -1.26 -4.56 119.36 108.20 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 1.19 -0.05 0.00 -1.44 0.00 0.00 39.64 39.33 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 -0.58 0.03 7.28 2.88 -1.26 0.94 113.62 122.90 2h3c n SER 25 Ca 0.00 1.39 -0.05 0.00 -1.33 0.00 0.00 58.87 58.87 2h3c n SER 25 Cb 0.18 -0.34 -0.11 0.00 -0.75 0.00 0.00 64.21 63.20 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 0.70 0.46 0.00 -1.96 -3.30 103.07 98.97 2h3c h GLY 26 Ca 0.09 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.39 2h3c h GLY 26 CO -0.51 0.00 -0.45 -2.00 0.00 0.00 0.00 176.54 173.58 2h3c h LEU 27 N 0.00 -1.13 0.13 3.11 6.46 -1.61 0.56 115.31 122.82 2h3c h LEU 27 Ca -0.16 0.07 0.00 0.00 -0.12 0.00 0.00 57.88 57.67 2h3c h LEU 27 Cb 1.81 0.33 -0.03 0.00 -0.73 0.00 0.00 40.66 42.04 2h3c h LEU 27 CO 0.08 -0.68 -0.33 0.58 -0.62 0.00 0.00 178.44 177.48 2h3c h VAL 28 N -1.08 0.00 -1.01 1.05 2.07 0.38 1.34 116.25 119.00 2h3c h VAL 28 Ca -0.09 0.00 0.24 0.00 0.82 0.00 0.00 66.70 67.67 2h3c h VAL 28 Cb 0.87 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 30.52 2h3c h VAL 28 CO 0.09 0.00 0.62 0.77 0.02 0.00 0.00 177.57 179.06 2h3c h SER 29 N -0.52 0.64 0.35 0.57 4.64 -1.63 1.77 113.55 119.38 2h3c h SER 29 Ca -0.01 0.12 -0.02 0.00 -0.47 0.00 0.00 61.79 61.41 2h3c h SER 29 Cb 0.50 0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.60 2h3c h SER 29 CO -0.15 0.13 -0.17 0.74 -0.87 0.00 0.00 176.83 176.51 2h3c h THR 30 N 0.57 0.23 -0.81 2.95 2.02 0.10 -1.62 112.91 116.35 2h3c h THR 30 Ca 0.62 -0.72 0.11 0.00 0.77 0.00 0.00 66.41 67.19 2h3c h THR 30 Cb 1.24 0.38 -0.08 0.00 -1.74 0.00 0.00 68.15 67.95 2h3c h THR 30 CO -0.41 0.06 0.43 0.74 0.37 0.00 0.00 175.52 176.71 2h3c h THR 31 N -1.06 0.83 0.45 3.16 2.02 0.24 -1.74 112.91 116.81 2h3c h THR 31 Ca -0.05 -0.23 -0.01 0.00 0.77 0.00 0.00 66.41 66.89 2h3c h THR 31 Cb 0.45 0.08 -0.02 0.00 -1.74 0.00 0.00 68.15 66.93 2h3c h THR 31 CO 0.08 0.12 -0.38 0.24 0.37 0.00 0.00 175.52 175.95 2h3c h MET 32 N 0.68 -0.80 -0.96 6.66 2.86 0.27 0.40 114.93 124.03 2h3c h MET 32 Ca 0.41 0.05 0.14 0.00 -2.06 0.00 0.00 59.70 58.24 2h3c h MET 32 Cb 0.47 0.18 -0.08 0.00 0.06 0.00 0.00 31.60 32.23 2h3c h MET 32 CO -0.30 -0.53 0.61 0.37 1.06 0.00 0.00 176.91 178.12 2h3c h GLN 33 N -0.83 0.82 0.21 1.72 4.15 -0.81 2.33 115.11 122.70 2h3c h GLN 33 Ca -0.04 -0.05 -0.01 0.00 0.77 0.00 0.00 58.65 59.32 2h3c h GLN 33 Cb 0.72 -0.18 0.00 0.00 0.21 0.00 0.00 27.48 28.23 2h3c h GLN 33 CO -0.02 0.54 -0.10 -0.97 -1.93 0.00 0.00 178.83 176.35 2h3c h ASN 34 N 0.84 -0.24 0.55 -0.69 -1.24 -0.84 0.65 115.58 114.61 2h3c h ASN 34 Ca 0.49 -0.25 -0.05 0.00 0.71 0.00 0.00 56.30 57.20 2h3c h ASN 34 Cb 0.64 0.06 -0.01 0.00 0.73 0.00 0.00 38.32 39.74 2h3c h ASN 34 CO -0.26 0.16 -0.23 -0.33 -1.29 0.00 0.00 177.43 175.48 2h3c h GLU 35 N -0.69 0.00 -0.16 6.67 3.07 0.40 0.33 114.58 124.20 2h3c h GLU 35 Ca -0.03 0.00 -0.13 0.00 -0.50 0.00 0.00 59.36 58.71 2h3c h GLU 35 Cb 0.48 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.39 2h3c h GLU 35 CO 0.05 0.23 -0.39 0.00 -1.40 0.00 0.00 179.01 177.50 2h3c h ALA 36 N 1.77 0.26 0.06 3.43 0.00 0.40 0.17 119.26 125.35 2h3c h ALA 36 Ca -0.00 -0.45 -0.00 0.00 0.00 0.00 0.00 54.91 54.45 2h3c h ALA 36 Cb 0.57 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.33 2h3c h ALA 36 CO 0.03 0.35 -0.03 0.00 0.00 0.00 0.00 179.25 179.61 2h3c h ARG 37 N 0.18 -0.08 0.46 0.00 2.47 0.93 -3.13 114.38 115.22 2h3c h ARG 37 Ca -0.00 0.01 -0.01 0.00 -1.26 0.00 0.00 59.98 58.71 2h3c h ARG 37 Cb 1.00 0.02 -0.02 0.00 -1.65 0.00 0.00 29.97 29.32 2h3c h ARG 37 CO 0.08 -0.03 -0.38 -0.09 0.56 0.00 0.00 179.97 180.12 2h3c h ARG 38 N -0.11 -0.80 0.00 0.04 9.65 -0.32 -3.39 114.38 119.46 2h3c h ARG 38 Ca -0.01 0.05 0.00 0.00 -1.10 0.00 0.00 59.98 58.93 2h3c h ARG 38 Cb 0.09 0.18 0.00 0.00 -1.39 0.00 0.00 29.97 28.85 2h3c h ARG 38 CO 0.01 -0.53 0.00 -0.11 2.80 0.00 0.00 179.97 182.14 2h3c n LEU 39 N -5.49 0.00 0.00 3.80 0.00 0.57 -4.69 117.00 111.19 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 0.39 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.81 2h3c n LEU 39 CO 0.30 0.00 0.00 -1.14 0.00 0.00 0.00 177.39 176.55 2h3c n ARG 40 N 0.00 -0.65 -0.64 1.96 3.00 -1.26 -4.85 116.66 114.22 2h3c n ARG 40 Ca 0.00 0.16 -0.12 0.00 -0.00 0.00 0.00 57.85 57.89 2h3c n ARG 40 Cb 0.00 -4.31 -0.07 0.00 0.00 0.00 0.00 32.46 28.08 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 1.00 4.33 1.66 5.13 0.00 -1.26 -4.41 120.51 126.95 2h3c n ALA 41 Ca 0.00 -1.38 0.04 0.00 0.00 0.00 0.00 53.44 52.10 2h3c n ALA 41 Cb 0.16 -2.53 0.17 0.00 0.00 0.00 0.00 19.45 17.26 2h3c n ALA 41 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 2h3c n GLU 42 N 3.20 1.26 -4.34 0.00 0.28 -1.26 -4.87 120.64 114.91 2h3c n GLU 42 Ca 0.32 -0.41 -0.20 0.00 -0.16 0.00 0.00 57.16 56.71 2h3c n GLU 42 Cb 0.40 -1.16 -0.08 0.00 1.43 0.00 0.00 31.44 32.03 2h3c n GLU 42 CO 0.00 0.00 0.00 1.03 -0.16 0.00 0.00 177.13 178.00 2h3c s ARG 43 N -1.87 1.74 0.73 3.44 3.00 -1.26 -5.17 118.95 119.57 2h3c s ARG 43 Ca 0.14 -2.02 -0.10 0.00 0.00 0.00 0.00 55.73 53.75 2h3c s ARG 43 Cb 0.07 0.04 0.05 0.00 0.00 0.00 0.00 34.95 35.11 2h3c s ARG 43 CO 0.10 -0.57 1.08 -1.58 0.00 0.00 0.00 175.30 174.34 2h3c s TRP 44 N -3.46 3.06 -0.05 -0.53 0.23 -1.26 -5.10 118.94 111.83 2h3c s TRP 44 Ca 0.36 0.72 0.00 0.00 -2.03 0.00 0.00 56.10 55.15 2h3c s TRP 44 Cb 0.03 -3.23 0.02 0.00 0.03 0.00 0.00 33.47 30.32 2h3c s TRP 44 CO 0.22 -1.43 -0.03 -1.59 0.96 0.00 0.00 176.95 175.08 2h3c s LYS 45 N -5.37 0.74 0.00 4.98 -2.85 -1.26 -5.08 119.74 110.89 2h3c s LYS 45 Ca 0.60 -0.04 0.00 0.00 -1.00 0.00 0.00 55.97 55.53 2h3c s LYS 45 Cb -0.11 -0.85 0.00 0.00 -2.06 0.00 0.00 37.83 34.81 2h3c s LYS 45 CO 0.48 -0.14 0.00 0.28 0.10 0.00 0.00 175.35 176.07 2h3c n VAL 46 N 4.33 0.00 -3.71 1.79 0.31 -1.26 -5.09 118.33 114.70 2h3c n VAL 46 Ca -0.21 0.44 -0.01 0.00 -0.01 0.00 0.00 64.34 64.56 2h3c n VAL 46 Cb 0.51 -1.34 -0.01 0.00 -0.91 0.00 0.00 33.84 32.09 2h3c n VAL 46 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 2h3c s GLU 47 N -0.88 0.78 -0.30 5.55 2.12 -1.26 -5.16 118.70 119.55 2h3c s GLU 47 Ca 0.00 -0.44 -0.07 0.00 0.36 0.00 0.00 54.97 54.82 2h3c s GLU 47 Cb 0.00 0.26 0.17 0.00 0.26 0.00 0.00 34.13 34.82 2h3c s GLU 47 CO 0.00 -0.36 0.73 1.21 -0.54 0.00 0.00 175.26 176.30 2h3c s ASN 48 N -3.03 -1.08 -0.05 -1.70 3.84 -1.26 -5.16 114.94 106.49 2h3c s ASN 48 Ca 0.15 0.99 0.05 0.00 0.21 0.00 0.00 52.86 54.26 2h3c s ASN 48 Cb 0.02 2.03 -0.02 0.00 -0.55 0.00 0.00 41.25 42.73 2h3c s ASN 48 CO -0.01 -0.20 -0.22 -1.58 -2.79 0.00 0.00 177.10 172.30 2h3c s GLN 49 N 2.83 2.52 0.23 0.43 2.00 -1.26 -5.01 119.66 121.39 2h3c s GLN 49 Ca 0.07 -0.84 0.00 0.00 -2.00 0.00 0.00 55.36 52.58 2h3c s GLN 49 Cb -0.12 -2.23 0.00 0.00 0.80 0.00 0.00 33.01 31.46 2h3c s GLN 49 CO -0.19 0.46 0.00 -1.91 -0.50 0.00 0.00 175.29 173.16 2h3c n GLU 50 N 2.74 -2.39 -3.17 1.67 2.13 -1.26 -5.10 120.64 115.27 2h3c n GLU 50 Ca -0.17 1.75 0.05 0.00 0.66 0.00 0.00 57.16 59.45 2h3c n GLU 50 Cb 0.52 -1.95 -0.03 0.00 0.27 0.00 0.00 31.44 30.25 2h3c n GLU 50 CO 0.00 0.00 0.00 0.20 -0.41 0.00 0.00 177.13 176.92 2h3c s GLY 51 N -2.14 0.11 -0.37 8.31 0.00 -1.26 -5.07 107.32 106.91 2h3c s GLY 51 Ca 0.00 3.42 0.13 0.00 0.00 0.00 0.00 44.72 48.27 2h3c s GLY 51 CO 0.00 3.66 0.98 1.03 0.00 0.00 0.00 173.10 178.78 2h3c n MET 52 N 4.99 1.08 0.06 2.90 2.81 -1.26 -4.92 117.12 122.79 2h3c n MET 52 Ca -0.08 -2.84 0.11 0.00 -1.81 0.00 0.00 57.70 53.09 2h3c n MET 52 Cb 0.55 -1.13 -0.06 0.00 -0.71 0.00 0.00 33.22 31.87 2h3c n MET 52 CO 0.00 0.00 0.00 1.55 1.51 0.00 0.00 175.97 179.03 2h3c n VAL 53 N 0.00 0.40 -1.25 2.03 3.14 -1.26 -4.97 118.33 116.42 2h3c n VAL 53 Ca 0.11 -0.53 -0.35 0.00 -2.96 0.00 0.00 64.34 60.61 2h3c n VAL 53 Cb 0.76 -0.22 0.10 0.00 -1.06 0.00 0.00 33.84 33.43 2h3c n VAL 53 CO 0.00 0.00 0.00 -1.84 -6.46 0.00 0.00 176.83 168.53 2h3c n GLU 54 N -2.53 0.37 -2.46 1.45 -0.00 -1.26 -4.97 120.64 111.24 2h3c n GLU 54 Ca -0.01 0.19 -0.15 0.00 -0.00 0.00 0.00 57.16 57.18 2h3c n GLU 54 Cb 0.56 -2.28 0.03 0.00 -0.00 0.00 0.00 31.44 29.74 2h3c n GLU 54 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.13 178.46 2h3c n VAL 55 N -2.82 1.87 -4.02 3.84 0.24 -1.26 -5.08 118.33 111.10 2h3c n VAL 55 Ca 0.13 -3.78 -0.28 0.00 -2.04 0.00 0.00 64.34 58.37 2h3c n VAL 55 Cb 0.50 -0.14 -0.05 0.00 -1.47 0.00 0.00 33.84 32.68 2h3c n VAL 55 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2h3c s ALA 56 N -3.57 3.71 0.05 2.33 0.00 -1.26 -4.72 121.76 118.30 2h3c s ALA 56 Ca 0.39 -1.07 0.00 0.00 0.00 0.00 0.00 51.96 51.29 2h3c s ALA 56 Cb 0.39 -1.54 0.00 0.00 0.00 0.00 0.00 23.12 21.97 2h3c s ALA 56 CO -0.03 0.63 0.00 0.54 0.00 0.00 0.00 175.76 176.90 2h3c n ARG 57 N -0.07 -0.29 0.00 0.00 3.00 -1.26 -4.82 116.66 113.22 2h3c n ARG 57 Ca -0.08 0.23 0.00 0.00 -0.01 0.00 0.00 57.85 57.99 2h3c n ARG 57 Cb 0.53 -0.35 0.00 0.00 0.00 0.00 0.00 32.46 32.64 2h3c n ARG 57 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.63 178.82 2h3c n PHE 58 N -2.46 0.00 -0.03 -1.55 3.72 -1.26 -4.04 117.46 111.85 2h3c n PHE 58 Ca -0.01 0.00 -0.02 0.00 -0.05 0.00 0.00 57.45 57.37 2h3c n PHE 58 Cb 0.06 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 38.59 2h3c n PHE 58 CO 0.00 0.00 0.00 1.51 -0.05 0.00 0.00 176.76 178.22 2h3c n ILE 59 N 0.00 0.53 -3.75 4.37 3.06 -1.26 -5.02 119.36 117.28 2h3c n ILE 59 Ca 0.00 0.39 -0.27 0.00 -2.50 0.00 0.00 62.75 60.37 2h3c n ILE 59 Cb 0.00 -1.83 0.01 0.00 0.54 0.00 0.00 39.64 38.36 2h3c n ILE 59 CO 0.00 0.00 0.00 1.21 -2.50 0.00 0.00 176.55 175.26 2h3c n GLU 60 N -3.14 -1.19 0.01 9.51 4.07 -1.26 -4.94 120.64 123.70 2h3c n GLU 60 Ca -0.03 0.66 -0.04 0.00 -0.06 0.00 0.00 57.16 57.69 2h3c n GLU 60 Cb 0.12 -2.98 -0.03 0.00 -0.06 0.00 0.00 31.44 28.49 2h3c n GLU 60 CO 0.00 0.00 0.00 1.98 -0.06 0.00 0.00 177.13 179.05 2h3c h MET 61 N -0.91 -0.13 -7.52 5.31 1.85 -1.95 -3.47 114.93 108.10 2h3c h MET 61 Ca -0.58 0.01 -0.48 0.00 -0.61 0.00 0.00 59.70 58.03 2h3c h MET 61 Cb 1.35 0.03 0.09 0.00 0.43 0.00 0.00 31.60 33.50 2h3c h MET 61 CO 0.41 0.02 0.41 0.54 -0.40 0.00 0.00 176.91 177.89 2h3c s ASN 62 N -5.46 5.08 0.00 1.39 6.03 -1.26 -5.09 114.94 115.62 2h3c s ASN 62 Ca -0.04 1.02 0.00 0.00 -1.03 0.00 0.00 52.86 52.81 2h3c s ASN 62 Cb -0.00 -1.71 0.00 0.00 -3.03 0.00 0.00 41.25 36.51 2h3c s ASN 62 CO 0.15 -1.57 0.00 0.61 -2.03 0.00 0.00 177.10 174.26 2h3c n GLY 63 N -3.07 1.48 3.20 0.45 0.00 -1.26 -5.10 105.19 100.89 2h3c n GLY 63 Ca 0.07 0.25 -0.31 0.00 0.00 0.00 0.00 46.02 46.04 2h3c n GLY 63 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2h3c s SER 64 N 0.00 2.86 0.54 1.61 0.01 -1.26 -5.08 113.70 112.39 2h3c s SER 64 Ca 0.00 -0.51 0.00 0.00 1.31 0.00 0.00 55.95 56.75 2h3c s SER 64 Cb 0.00 -1.18 0.00 0.00 0.21 0.00 0.00 66.02 65.05 2h3c s SER 64 CO 0.00 0.16 0.00 0.49 0.41 0.00 0.00 173.24 174.30 2h3c n PHE 65 N 3.43 -1.05 -0.05 2.43 3.72 -1.26 -3.54 117.46 121.14 2h3c n PHE 65 Ca -0.19 0.00 -0.01 0.00 -0.05 0.00 0.00 57.45 57.19 2h3c n PHE 65 Cb 0.53 0.14 -0.01 0.00 -0.94 0.00 0.00 39.48 39.19 2h3c n PHE 65 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2h3c h ALA 66 N -0.54 0.00 -2.20 4.37 0.00 -2.07 -3.42 119.26 115.40 2h3c h ALA 66 Ca 0.00 -0.10 -0.59 0.00 0.00 0.00 0.00 54.91 54.22 2h3c h ALA 66 Cb 0.00 0.07 -0.41 0.00 0.00 0.00 0.00 17.79 17.45 2h3c h ALA 66 CO 0.00 0.07 -0.74 -0.40 0.00 0.00 0.00 179.25 178.18 2h3c n ASP 67 N -4.75 2.60 -2.94 0.00 5.75 -1.26 -4.96 116.55 110.99 2h3c n ASP 67 Ca -0.02 -3.19 0.03 0.00 -0.01 0.00 0.00 54.79 51.60 2h3c n ASP 67 Cb 0.06 -0.66 0.00 0.00 -1.03 0.00 0.00 41.12 39.49 2h3c n ASP 67 CO 0.00 0.00 0.00 -0.70 -0.11 0.00 0.00 177.20 176.39 2h3c s GLU 68 N -1.99 0.30 0.14 0.11 2.12 -1.23 -5.17 118.70 112.99 2h3c s GLU 68 Ca 0.37 -0.02 0.03 0.00 0.36 0.00 0.00 54.97 55.71 2h3c s GLU 68 Cb 0.14 0.06 -0.01 0.00 0.26 0.00 0.00 34.13 34.58 2h3c s GLU 68 CO -0.05 -0.46 0.13 0.27 -0.54 0.00 0.00 175.26 174.61 2h3c n ASN 69 N 4.20 -0.35 -4.65 -1.70 6.94 -1.26 -4.07 115.26 114.37 2h3c n ASN 69 Ca 0.07 -1.91 -0.23 0.00 -0.02 0.00 0.00 54.58 52.49 2h3c n ASN 69 Cb 0.61 0.77 -0.07 0.00 -2.36 0.00 0.00 39.78 38.72 2h3c n ASN 69 CO 0.00 0.00 0.00 -1.59 -1.03 0.00 0.00 177.26 174.64 2h3c s LYS 70 N -2.53 2.22 0.35 -3.83 0.00 -1.26 -5.05 119.74 109.63 2h3c s LYS 70 Ca 0.16 -1.55 -0.02 0.00 0.00 0.00 0.00 55.97 54.56 2h3c s LYS 70 Cb 0.01 -2.08 0.07 0.00 0.00 0.00 0.00 37.83 35.83 2h3c s LYS 70 CO 0.11 0.25 0.47 -0.40 0.00 0.00 0.00 175.35 175.79 2h3c n ASP 71 N -0.95 0.45 -0.85 0.03 5.75 -1.26 -5.08 116.55 114.65 2h3c n ASP 71 Ca -0.05 -1.43 0.11 0.00 -0.01 0.00 0.00 54.79 53.41 2h3c n ASP 71 Cb 0.60 -0.32 0.09 0.00 -1.03 0.00 0.00 41.12 40.46 2h3c n ASP 71 CO 0.00 0.00 0.00 -2.67 -0.11 0.00 0.00 177.20 174.42