#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2h3a s LYS 2 N 0.00 0.03 -0.10 2.12 -0.14 -1.26 -5.08 119.74 115.31 2h3a s LYS 2 Ca 0.00 -0.49 -0.00 0.00 -1.36 0.00 0.00 55.97 54.12 2h3a s LYS 2 Cb 0.00 -1.78 0.02 0.00 -1.68 0.00 0.00 37.83 34.39 2h3a s LYS 2 CO 0.00 -2.81 -0.07 -1.14 -0.76 0.00 0.00 175.35 170.57 2h3a s GLN 3 N -5.90 1.42 -0.31 1.68 0.74 -1.26 -5.11 119.66 110.93 2h3a s GLN 3 Ca 0.76 -0.22 -0.27 0.00 0.05 0.00 0.00 55.36 55.68 2h3a s GLN 3 Cb -0.03 -1.49 0.01 0.00 1.10 0.00 0.00 33.01 32.60 2h3a s GLN 3 CO 0.54 -0.25 0.99 0.50 -0.55 0.00 0.00 175.29 176.52 2h3a s ARG 4 N 1.67 4.05 -0.19 1.67 3.52 -1.26 -5.02 118.95 123.39 2h3a s ARG 4 Ca 0.04 0.96 -0.02 0.00 -0.13 0.00 0.00 55.73 56.57 2h3a s ARG 4 Cb -0.13 -3.72 -0.00 0.00 -1.56 0.00 0.00 34.95 29.53 2h3a s ARG 4 CO -0.07 -0.81 -0.09 0.96 -0.81 0.00 0.00 175.30 174.48 2h3a s ILE 5 N 3.40 3.08 -0.05 4.11 -4.36 -1.26 -5.10 121.20 121.01 2h3a s ILE 5 Ca 0.41 -0.61 0.02 0.00 -0.26 0.00 0.00 60.65 60.22 2h3a s ILE 5 Cb -0.13 -2.36 0.02 0.00 1.25 0.00 0.00 42.46 41.23 2h3a s ILE 5 CO 0.14 0.47 -0.08 0.28 0.24 0.00 0.00 174.94 175.98 2h3a s THR 6 N 1.19 0.83 -0.49 8.37 -1.32 -1.26 -5.09 115.64 117.87 2h3a s THR 6 Ca 0.02 -0.30 -0.15 0.00 -1.21 0.00 0.00 61.69 60.05 2h3a s THR 6 Cb -0.14 -0.80 0.09 0.00 -1.51 0.00 0.00 72.50 70.14 2h3a s THR 6 CO -0.03 0.29 0.42 0.54 -2.21 0.00 0.00 174.62 173.63 2h3a s VAL 7 N 0.78 5.20 -0.74 5.08 0.11 -1.26 -4.96 120.40 124.61 2h3a s VAL 7 Ca -0.13 -1.21 -0.18 0.00 -2.93 0.00 0.00 61.98 57.53 2h3a s VAL 7 Cb -0.15 -4.18 -0.14 0.00 -1.53 0.00 0.00 36.38 30.38 2h3a s VAL 7 CO 0.02 -0.67 1.92 0.35 -3.33 0.00 0.00 175.10 173.39 2h3a n THR 8 N 5.21 1.81 0.00 5.04 -2.24 -1.26 -4.67 114.28 118.17 2h3a n THR 8 Ca -0.13 -1.41 0.00 0.00 -2.27 0.00 0.00 64.05 60.24 2h3a n THR 8 Cb 0.42 -2.23 0.00 0.00 -2.10 0.00 0.00 70.33 66.43 2h3a n THR 8 CO 0.00 0.00 0.00 0.55 -0.57 0.00 0.00 175.07 175.05 2h3a n VAL 9 N 5.57 0.00 0.00 2.28 3.14 -1.26 -5.08 118.33 122.98 2h3a n VAL 9 Ca 0.46 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.84 2h3a n VAL 9 Cb 0.32 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.10 2h3a n VAL 9 CO 0.00 0.00 0.00 -0.67 -6.46 0.00 0.00 176.83 169.70 2h3a n ASP 10 N 0.00 0.00 0.00 6.55 2.03 -1.26 -4.89 116.55 118.98 2h3a n ASP 10 Ca 0.00 0.00 0.11 0.00 0.52 0.00 0.00 54.79 55.42 2h3a n ASP 10 Cb 0.00 0.00 0.56 0.00 -0.72 0.00 0.00 41.12 40.96 2h3a n ASP 10 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 2h3a n SER 11 N 0.00 0.00 -2.89 1.67 7.64 -1.26 -1.76 113.62 117.03 2h3a n SER 11 Ca 0.00 -0.03 -0.30 0.00 1.01 0.00 0.00 58.87 59.55 2h3a n SER 11 Cb 0.00 -0.28 -0.07 0.00 -1.01 0.00 0.00 64.21 62.84 2h3a n SER 11 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 2h3a n ASP 12 N -1.28 7.52 0.00 6.43 2.03 -1.26 -4.62 116.55 125.36 2h3a n ASP 12 Ca 0.11 -2.53 0.00 0.00 0.52 0.00 0.00 54.79 52.89 2h3a n ASP 12 Cb 0.18 -1.50 0.00 0.00 -0.72 0.00 0.00 41.12 39.08 2h3a n ASP 12 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 2h3a n SER 13 N 3.25 0.00 -0.00 1.67 7.64 -1.26 -4.77 113.62 120.14 2h3a n SER 13 Ca 0.66 0.00 -0.11 0.00 1.01 0.00 0.00 58.87 60.43 2h3a n SER 13 Cb 0.45 -0.48 -0.05 0.00 -1.01 0.00 0.00 64.21 63.12 2h3a n SER 13 CO 0.00 0.00 0.00 0.22 -3.01 0.00 0.00 175.04 172.25 2h3a h TYR 14 N 0.00 -1.04 -0.80 1.43 3.20 -1.82 -2.25 116.97 115.70 2h3a h TYR 14 Ca 0.00 0.04 0.16 0.00 3.14 0.00 0.00 58.73 62.07 2h3a h TYR 14 Cb 0.00 0.48 -0.10 0.00 1.54 0.00 0.00 36.73 38.65 2h3a h TYR 14 CO 0.00 -0.44 0.33 1.96 -1.64 0.00 0.00 178.16 178.37 2h3a h GLN 15 N -0.44 0.44 -0.96 1.82 1.08 -1.65 -1.93 115.11 113.48 2h3a h GLN 15 Ca 0.09 -0.03 0.12 0.00 -1.45 0.00 0.00 58.65 57.38 2h3a h GLN 15 Cb 0.59 -0.10 -0.08 0.00 -0.05 0.00 0.00 27.48 27.83 2h3a h GLN 15 CO -0.38 0.29 0.59 -0.07 -0.95 0.00 0.00 178.83 178.31 2h3a h LEU 16 N 0.45 0.86 0.89 1.46 3.38 -1.68 1.53 115.31 122.20 2h3a h LEU 16 Ca 0.45 0.05 -0.04 0.00 0.09 0.00 0.00 57.88 58.43 2h3a h LEU 16 Cb 0.72 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.35 2h3a h LEU 16 CO -0.43 0.45 -0.48 -0.07 0.09 0.00 0.00 178.44 178.00 2h3a h LEU 17 N 0.93 -1.18 -1.32 1.67 -0.00 -1.27 -2.55 115.31 111.58 2h3a h LEU 17 Ca 0.48 0.05 -0.05 0.00 -0.00 0.00 0.00 57.88 58.36 2h3a h LEU 17 Cb 0.49 0.33 -0.01 0.00 -0.00 0.00 0.00 40.66 41.47 2h3a h LEU 17 CO -0.27 -0.78 -0.26 0.07 -0.00 0.00 0.00 178.44 177.20 2h3a h LYS 18 N -1.26 0.00 -0.02 1.13 2.10 -1.10 -2.05 116.57 115.37 2h3a h LYS 18 Ca -0.12 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.53 2h3a h LYS 18 Cb 0.99 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.32 2h3a h LYS 18 CO 0.16 0.26 0.05 0.00 -2.00 0.00 0.00 179.45 177.92 2h3a h ALA 19 N 1.74 1.25 0.00 0.07 0.00 0.25 -2.22 119.26 120.35 2h3a h ALA 19 Ca -0.00 -0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.80 2h3a h ALA 19 Cb 0.65 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 2h3a h ALA 19 CO 0.03 -0.05 -0.75 1.88 0.00 0.00 0.00 179.25 180.36 2h3a h TYR 20 N 0.00 0.00 0.00 0.00 0.05 -0.97 -3.49 116.97 112.56 2h3a h TYR 20 Ca 0.01 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.79 2h3a h TYR 20 Cb 0.10 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.84 2h3a h TYR 20 CO 0.00 0.82 0.00 -0.40 -1.05 0.00 0.00 178.16 177.53 2h3a n ASP 21 N -4.54 0.00 -3.26 3.88 5.75 -0.84 -5.14 116.55 112.40 2h3a n ASP 21 Ca -0.19 0.00 -0.05 0.00 -0.01 0.00 0.00 54.79 54.54 2h3a n ASP 21 Cb 0.46 0.00 -0.04 0.00 -1.03 0.00 0.00 41.12 40.51 2h3a n ASP 21 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 2h3a s VAL 22 N 0.00 -0.73 -1.66 2.12 0.11 -1.21 -4.98 120.40 114.05 2h3a s VAL 22 Ca 0.00 -0.24 0.00 0.00 -2.93 0.00 0.00 61.98 58.81 2h3a s VAL 22 Cb 0.00 -0.93 0.00 0.00 -1.53 0.00 0.00 36.38 33.92 2h3a s VAL 22 CO 0.00 -0.21 0.03 0.59 -3.33 0.00 0.00 175.10 172.18 2h3a n ASN 23 N 5.28 0.01 0.00 3.54 3.02 -1.26 -1.77 115.26 124.08 2h3a n ASN 23 Ca 0.03 -0.07 0.00 0.00 -0.03 0.00 0.00 54.58 54.51 2h3a n ASN 23 Cb 0.51 -0.01 0.00 0.00 -0.61 0.00 0.00 39.78 39.67 2h3a n ASN 23 CO 0.00 0.00 0.00 2.30 -2.62 0.00 0.00 177.26 176.94 2h3a n ILE 24 N -0.16 0.00 -0.30 2.41 -6.64 -1.26 -4.89 119.36 108.52 2h3a n ILE 24 Ca 0.00 0.00 -0.08 0.00 -1.77 0.00 0.00 62.75 60.90 2h3a n ILE 24 Cb 0.00 -0.16 -0.07 0.00 -1.44 0.00 0.00 39.64 37.98 2h3a n ILE 24 CO 0.00 0.00 0.00 -1.54 -1.77 0.00 0.00 176.55 173.24 2h3a n SER 25 N 0.00 -0.75 -0.14 7.28 3.41 -1.26 0.77 113.62 122.93 2h3a n SER 25 Ca 0.00 1.48 -0.08 0.00 -0.26 0.00 0.00 58.87 60.00 2h3a n SER 25 Cb 0.00 -0.27 0.06 0.00 -0.26 0.00 0.00 64.21 63.74 2h3a n SER 25 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 2h3a h GLY 26 N 0.00 1.00 0.72 5.00 0.00 -1.98 -3.28 103.07 104.53 2h3a h GLY 26 Ca 0.11 -0.79 -0.04 0.00 0.00 0.00 0.00 47.33 46.61 2h3a h GLY 26 CO -0.67 0.73 -0.35 -2.00 0.00 0.00 0.00 176.54 174.26 2h3a h LEU 27 N 0.82 -0.82 0.00 3.11 5.85 -1.35 -2.38 115.31 120.53 2h3a h LEU 27 Ca 0.13 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.88 2h3a h LEU 27 Cb 0.66 0.21 0.00 0.00 0.37 0.00 0.00 40.66 41.90 2h3a h LEU 27 CO 0.05 -0.51 0.00 0.52 -0.34 0.00 0.00 178.44 178.16 2h3a n VAL 28 N -5.02 0.00 0.01 1.05 0.31 0.23 0.14 118.33 115.06 2h3a n VAL 28 Ca -0.12 1.33 0.10 0.00 -0.01 0.00 0.00 64.34 65.64 2h3a n VAL 28 Cb 0.38 -1.83 0.54 0.00 -0.91 0.00 0.00 33.84 32.01 2h3a n VAL 28 CO 0.00 0.00 0.00 0.77 -1.32 0.00 0.00 176.83 176.28 2h3a h SER 29 N 0.00 0.27 0.28 4.52 4.64 -1.71 0.30 113.55 121.85 2h3a h SER 29 Ca 0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 2h3a h SER 29 Cb 0.00 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.04 2h3a h SER 29 CO 0.00 0.18 -0.14 0.74 -0.87 0.00 0.00 176.83 176.74 2h3a h THR 30 N 0.31 0.75 -0.54 2.95 2.02 -0.74 -2.24 112.91 115.42 2h3a h THR 30 Ca 0.19 -0.59 0.10 0.00 0.77 0.00 0.00 66.41 66.88 2h3a h THR 30 Cb 0.36 1.05 -0.08 0.00 -1.74 0.00 0.00 68.15 67.74 2h3a h THR 30 CO -0.04 0.12 0.05 0.74 0.37 0.00 0.00 175.52 176.76 2h3a h THR 31 N -0.70 0.62 -0.59 3.16 2.02 0.19 -0.72 112.91 116.88 2h3a h THR 31 Ca -0.04 -0.06 0.12 0.00 0.77 0.00 0.00 66.41 67.20 2h3a h THR 31 Cb 0.48 0.43 -0.11 0.00 -1.74 0.00 0.00 68.15 67.22 2h3a h THR 31 CO 0.06 0.03 -0.06 0.24 0.37 0.00 0.00 175.52 176.16 2h3a h MET 32 N 0.18 0.06 -1.03 6.66 2.86 -0.27 0.27 114.93 123.65 2h3a h MET 32 Ca 0.28 -0.00 0.26 0.00 -2.06 0.00 0.00 59.70 58.18 2h3a h MET 32 Cb 0.42 -0.01 -0.09 0.00 0.06 0.00 0.00 31.60 31.97 2h3a h MET 32 CO -0.41 0.04 0.67 0.37 1.06 0.00 0.00 176.91 178.64 2h3a h GLN 33 N 0.06 0.38 0.09 1.72 5.75 -0.51 3.05 115.11 125.66 2h3a h GLN 33 Ca 0.30 -0.02 -0.00 0.00 -0.15 0.00 0.00 58.65 58.77 2h3a h GLN 33 Cb 0.48 -0.09 0.00 0.00 1.07 0.00 0.00 27.48 28.94 2h3a h GLN 33 CO -0.55 0.25 -0.04 -0.97 -2.65 0.00 0.00 178.83 174.87 2h3a h ASN 34 N 0.40 -0.10 1.32 -0.69 -0.73 -0.40 0.61 115.58 115.99 2h3a h ASN 34 Ca 0.59 -0.33 0.00 0.00 1.87 0.00 0.00 56.30 58.43 2h3a h ASN 34 Cb 1.49 0.03 0.00 0.00 0.27 0.00 0.00 38.32 40.10 2h3a h ASN 34 CO -0.29 0.29 0.00 -0.08 -0.37 0.00 0.00 177.43 176.98 2h3a h GLU 35 N -0.51 0.00 0.00 6.67 4.57 -0.17 -0.22 114.58 124.92 2h3a h GLU 35 Ca -0.01 0.00 -0.15 0.00 -1.18 0.00 0.00 59.36 58.02 2h3a h GLU 35 Cb 0.43 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 28.99 2h3a h GLU 35 CO 0.02 0.00 -1.09 0.00 -1.18 0.00 0.00 179.01 176.76 2h3a h ALA 36 N 2.21 0.64 0.05 2.92 0.00 0.56 0.19 119.26 125.84 2h3a h ALA 36 Ca 0.00 -0.72 -0.12 0.00 0.00 0.00 0.00 54.91 54.07 2h3a h ALA 36 Cb 0.66 0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.59 2h3a h ALA 36 CO 0.00 0.84 -0.57 0.00 0.00 0.00 0.00 179.25 179.52 2h3a h ARG 37 N 0.00 0.11 0.13 0.00 2.47 0.52 -3.38 114.38 114.23 2h3a h ARG 37 Ca -0.10 -0.18 -0.30 0.00 -1.26 0.00 0.00 59.98 58.13 2h3a h ARG 37 Cb 1.53 0.07 -0.00 0.00 -1.65 0.00 0.00 29.97 29.92 2h3a h ARG 37 CO 0.06 1.09 -1.48 0.00 0.56 0.00 0.00 179.97 180.20 2h3a h ARG 38 N -0.75 0.28 -1.10 0.04 3.08 -1.17 -3.49 114.38 111.27 2h3a h ARG 38 Ca -0.13 -0.48 0.00 0.00 0.07 0.00 0.00 59.98 59.44 2h3a h ARG 38 Cb 1.30 0.18 0.00 0.00 0.08 0.00 0.00 29.97 31.53 2h3a h ARG 38 CO 0.01 1.17 0.00 1.28 -1.07 0.00 0.00 179.97 181.36 2h3a n LEU 39 N -3.49 0.00 -0.10 3.04 4.32 0.68 -4.85 117.00 116.60 2h3a n LEU 39 Ca -0.15 0.00 -0.20 0.00 -0.02 0.00 0.00 56.01 55.64 2h3a n LEU 39 Cb 1.05 0.00 -0.11 0.00 -1.62 0.00 0.00 43.42 42.74 2h3a n LEU 39 CO 0.52 0.00 -0.48 -0.09 -1.22 0.00 0.00 177.39 176.12 2h3a h ARG 40 N 0.13 0.00 0.00 3.23 1.12 -1.94 -3.51 114.38 113.41 2h3a h ARG 40 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.87 2h3a h ARG 40 Cb 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 29.96 2h3a h ARG 40 CO 0.00 0.91 0.00 0.00 -3.11 0.00 0.00 179.97 177.77 2h3a n ALA 41 N -3.42 0.00 -1.78 2.80 0.00 -1.26 -5.16 120.51 111.69 2h3a n ALA 41 Ca -0.29 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 52.80 2h3a n ALA 41 Cb 0.64 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 20.07 2h3a n ALA 41 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 2h3a s GLU 42 N -0.83 3.64 -0.82 0.00 2.56 -1.26 -4.97 118.70 117.01 2h3a s GLU 42 Ca 0.00 1.54 -0.21 0.00 0.00 0.00 0.00 54.97 56.30 2h3a s GLU 42 Cb 0.00 -2.14 0.10 0.00 2.00 0.00 0.00 34.13 34.09 2h3a s GLU 42 CO 0.00 -0.60 1.08 1.03 -0.56 0.00 0.00 175.26 176.21 2h3a s ARG 43 N -3.11 3.39 -0.35 4.30 1.81 -1.26 -4.98 118.95 118.75 2h3a s ARG 43 Ca 0.68 -1.34 -0.39 0.00 -1.72 0.00 0.00 55.73 52.96 2h3a s ARG 43 Cb -0.22 -4.66 -0.15 0.00 -0.45 0.00 0.00 34.95 29.47 2h3a s ARG 43 CO 0.26 -1.82 1.95 0.91 -0.68 0.00 0.00 175.30 175.92 2h3a n TRP 44 N 7.17 1.76 -2.64 -0.53 7.02 -1.26 -4.87 117.44 124.10 2h3a n TRP 44 Ca 0.13 0.50 -0.43 0.00 -1.02 0.00 0.00 57.50 56.68 2h3a n TRP 44 Cb 0.48 -2.45 -0.02 0.00 -2.42 0.00 0.00 31.31 26.89 2h3a n TRP 44 CO 0.00 0.00 0.00 0.15 -2.02 0.00 0.00 177.69 175.82 2h3a s LYS 45 N 4.82 3.84 0.47 -0.99 1.02 -1.26 -5.03 119.74 122.62 2h3a s LYS 45 Ca 1.06 0.73 -0.08 0.00 0.02 0.00 0.00 55.97 57.69 2h3a s LYS 45 Cb -1.08 -3.84 -0.05 0.00 -0.52 0.00 0.00 37.83 32.34 2h3a s LYS 45 CO 0.61 -1.18 0.82 0.54 -0.92 0.00 0.00 175.35 175.22 2h3a s VAL 46 N 4.08 4.82 0.05 3.17 0.11 -1.26 -5.11 120.40 126.26 2h3a s VAL 46 Ca 0.46 0.49 0.01 0.00 -2.93 0.00 0.00 61.98 60.01 2h3a s VAL 46 Cb -0.09 -3.81 0.01 0.00 -1.53 0.00 0.00 36.38 30.95 2h3a s VAL 46 CO 0.25 -0.77 0.07 1.21 -3.33 0.00 0.00 175.10 172.53 2h3a n GLU 47 N -1.95 1.02 -2.69 1.54 0.00 -1.26 -5.09 120.64 112.20 2h3a n GLU 47 Ca 0.02 -0.29 -0.06 0.00 0.00 0.00 0.00 57.16 56.83 2h3a n GLU 47 Cb 0.54 -0.02 0.11 0.00 0.00 0.00 0.00 31.44 32.08 2h3a n GLU 47 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 2h3a n ASN 48 N -2.83 -1.27 -4.78 4.31 5.03 -1.26 -5.13 115.26 109.33 2h3a n ASN 48 Ca 0.01 -2.43 -0.37 0.00 0.87 0.00 0.00 54.58 52.67 2h3a n ASN 48 Cb 0.06 0.70 -0.07 0.00 -1.02 0.00 0.00 39.78 39.45 2h3a n ASN 48 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2h3a s GLN 49 N -0.38 4.01 0.69 3.52 -2.07 -1.26 -5.09 119.66 119.08 2h3a s GLN 49 Ca 0.20 0.09 -0.11 0.00 -1.82 0.00 0.00 55.36 53.72 2h3a s GLN 49 Cb 0.41 -3.33 0.01 0.00 -1.09 0.00 0.00 33.01 29.01 2h3a s GLN 49 CO -0.08 0.45 1.08 -2.00 -1.32 0.00 0.00 175.29 173.42 2h3a s GLU 50 N -0.17 2.97 -0.35 9.60 -6.30 -1.26 -5.04 118.70 118.17 2h3a s GLU 50 Ca 0.17 0.49 0.15 0.00 -2.50 0.00 0.00 54.97 53.28 2h3a s GLU 50 Cb -0.13 -2.04 0.44 0.00 0.00 0.00 0.00 34.13 32.39 2h3a s GLU 50 CO 0.05 -0.95 1.12 0.41 0.02 0.00 0.00 175.26 175.91 2h3a n GLY 51 N -2.95 1.48 3.36 -1.50 0.00 -1.26 -5.12 105.19 99.20 2h3a n GLY 51 Ca 0.07 -0.83 -0.25 0.00 0.00 0.00 0.00 46.02 45.01 2h3a n GLY 51 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2h3a s MET 52 N -1.89 1.34 0.10 1.61 -1.94 -1.26 -5.15 119.30 112.10 2h3a s MET 52 Ca 0.25 -1.39 -0.24 0.00 -1.71 0.00 0.00 55.69 52.59 2h3a s MET 52 Cb 0.43 -1.57 0.06 0.00 2.01 0.00 0.00 34.83 35.77 2h3a s MET 52 CO -0.02 0.34 0.59 0.54 -0.01 0.00 0.00 175.02 176.47 2h3a s VAL 53 N -1.66 0.01 0.50 -6.03 0.11 -1.26 -5.19 120.40 106.88 2h3a s VAL 53 Ca 0.15 -0.08 0.05 0.00 -2.93 0.00 0.00 61.98 59.18 2h3a s VAL 53 Cb -0.08 -1.01 0.05 0.00 -1.53 0.00 0.00 36.38 33.81 2h3a s VAL 53 CO 0.07 -0.04 0.41 1.21 -3.33 0.00 0.00 175.10 173.42 2h3a n GLU 54 N 0.02 0.74 0.00 1.54 0.00 -1.26 -5.11 120.64 116.57 2h3a n GLU 54 Ca -0.18 -3.09 0.00 0.00 0.00 0.00 0.00 57.16 53.90 2h3a n GLU 54 Cb 0.63 0.27 0.00 0.00 0.00 0.00 0.00 31.44 32.34 2h3a n GLU 54 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.13 177.41 2h3a n VAL 55 N -1.72 0.00 -2.74 6.31 0.31 -1.26 -5.13 118.33 114.11 2h3a n VAL 55 Ca -0.00 0.00 -0.02 0.00 -0.01 0.00 0.00 64.34 64.30 2h3a n VAL 55 Cb 0.56 -0.19 -0.02 0.00 -0.91 0.00 0.00 33.84 33.28 2h3a n VAL 55 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2h3a n ALA 56 N -1.04 -3.27 -2.97 3.52 0.00 -1.26 -5.07 120.51 110.42 2h3a n ALA 56 Ca 0.00 1.25 -0.09 0.00 0.00 0.00 0.00 53.44 54.60 2h3a n ALA 56 Cb 0.00 -2.54 -0.11 0.00 0.00 0.00 0.00 19.45 16.80 2h3a n ALA 56 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2h3a s ARG 57 N -1.05 0.35 -0.31 0.00 3.00 -1.26 -5.13 118.95 114.55 2h3a s ARG 57 Ca -0.12 -0.60 -0.05 0.00 0.00 0.00 0.00 55.73 54.96 2h3a s ARG 57 Cb 0.01 0.13 0.19 0.00 0.00 0.00 0.00 34.95 35.27 2h3a s ARG 57 CO 0.67 -0.06 0.91 -0.59 0.00 0.00 0.00 175.30 176.22 2h3a s PHE 58 N -1.53 -0.87 0.00 -0.53 -0.12 -1.26 -5.16 117.98 108.51 2h3a s PHE 58 Ca -0.15 0.41 0.00 0.00 -0.05 0.00 0.00 56.93 57.14 2h3a s PHE 58 Cb -0.09 0.15 0.00 0.00 -0.63 0.00 0.00 43.02 42.45 2h3a s PHE 58 CO -0.01 -0.53 0.00 -0.89 -0.05 0.00 0.00 175.22 173.74 2h3a n ILE 59 N 4.84 0.00 -3.84 -4.49 5.41 -1.26 -5.16 119.36 114.87 2h3a n ILE 59 Ca 0.08 0.00 -0.07 0.00 1.00 0.00 0.00 62.75 63.76 2h3a n ILE 59 Cb 0.58 0.00 -0.00 0.00 -0.71 0.00 0.00 39.64 39.51 2h3a n ILE 59 CO 0.00 0.00 0.00 -0.70 0.00 0.00 0.00 176.55 175.85 2h3a s GLU 60 N 2.62 1.92 -0.29 0.38 -6.30 -1.26 -5.15 118.70 110.62 2h3a s GLU 60 Ca 0.00 -1.13 0.01 0.00 -2.50 0.00 0.00 54.97 51.34 2h3a s GLU 60 Cb 0.00 0.60 0.15 0.00 0.00 0.00 0.00 34.13 34.88 2h3a s GLU 60 CO 0.00 -0.89 0.35 0.00 0.02 0.00 0.00 175.26 174.75 2h3a s MET 61 N -3.29 0.37 0.08 4.30 0.23 -1.26 -5.15 119.30 114.57 2h3a s MET 61 Ca 0.13 0.01 0.06 0.00 -1.03 0.00 0.00 55.69 54.86 2h3a s MET 61 Cb -0.05 -0.49 -0.04 0.00 -1.53 0.00 0.00 34.83 32.72 2h3a s MET 61 CO 0.08 -1.02 -0.08 -0.80 -2.03 0.00 0.00 175.02 171.18 2h3a s ASN 62 N 2.45 4.55 0.22 -1.18 0.01 -1.26 -5.14 114.94 114.60 2h3a s ASN 62 Ca 0.10 -0.29 0.00 0.00 -0.71 0.00 0.00 52.86 51.96 2h3a s ASN 62 Cb -0.13 -0.96 -0.04 0.00 0.41 0.00 0.00 41.25 40.53 2h3a s ASN 62 CO -0.31 0.20 0.14 -0.83 -1.51 0.00 0.00 177.10 174.80 2h3a s GLY 63 N -2.02 1.57 0.31 0.66 0.00 -1.26 -5.18 107.32 101.40 2h3a s GLY 63 Ca 0.21 -1.75 0.02 0.00 0.00 0.00 0.00 44.72 43.20 2h3a s GLY 63 CO 0.13 -1.43 0.18 -1.14 0.00 0.00 0.00 173.10 170.84 2h3a n SER 64 N -0.44 2.17 -4.32 1.64 3.41 -1.26 -5.17 113.62 109.66 2h3a n SER 64 Ca 0.02 -2.12 -0.17 0.00 -0.26 0.00 0.00 58.87 56.35 2h3a n SER 64 Cb 0.66 0.03 -0.10 0.00 -0.26 0.00 0.00 64.21 64.53 2h3a n SER 64 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 2h3a s PHE 65 N -1.65 1.56 0.05 7.33 0.40 -1.26 -5.18 117.98 119.24 2h3a s PHE 65 Ca 0.14 -1.17 0.02 0.00 -0.60 0.00 0.00 56.93 55.32 2h3a s PHE 65 Cb -0.01 -0.92 -0.03 0.00 0.51 0.00 0.00 43.02 42.57 2h3a s PHE 65 CO 0.09 -0.31 -0.07 0.00 0.70 0.00 0.00 175.22 175.63 2h3a s ALA 66 N -3.72 0.60 0.00 5.36 0.00 -1.26 -5.11 121.76 117.63 2h3a s ALA 66 Ca 0.38 -0.90 0.00 0.00 0.00 0.00 0.00 51.96 51.44 2h3a s ALA 66 Cb 0.08 0.10 0.00 0.00 0.00 0.00 0.00 23.12 23.29 2h3a s ALA 66 CO 0.14 -0.11 0.00 -0.25 0.00 0.00 0.00 175.76 175.54 2h3a n ASP 67 N 1.07 0.00 -0.93 0.00 9.92 -1.26 -5.10 116.55 120.24 2h3a n ASP 67 Ca -0.20 0.04 0.09 0.00 -0.53 0.00 0.00 54.79 54.18 2h3a n ASP 67 Cb 0.56 -0.19 -0.02 0.00 -0.64 0.00 0.00 41.12 40.83 2h3a n ASP 67 CO 0.00 0.00 0.00 1.21 0.13 0.00 0.00 177.20 178.54 2h3a n GLU 68 N -1.72 -1.30 0.00 -1.24 2.13 -1.26 -5.08 120.64 112.18 2h3a n GLU 68 Ca 0.00 0.86 0.00 0.00 0.66 0.00 0.00 57.16 58.68 2h3a n GLU 68 Cb 0.00 -1.58 0.00 0.00 0.27 0.00 0.00 31.44 30.13 2h3a n GLU 68 CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01 2h3a n ASN 69 N -2.81 0.00 0.00 4.31 5.15 -1.26 -5.05 115.26 115.60 2h3a n ASN 69 Ca 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.98 2h3a n ASN 69 Cb 0.29 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.54 2h3a n ASN 69 CO 0.00 0.00 0.00 1.17 1.40 0.00 0.00 177.26 179.83 2h3a n LYS 70 N 0.00 0.00 -2.52 1.20 0.00 -1.26 -5.07 118.16 110.50 2h3a n LYS 70 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 58.31 58.25 2h3a n LYS 70 Cb 0.00 0.00 0.01 0.00 0.00 0.00 0.00 35.03 35.04 2h3a n LYS 70 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 2h3a n ASP 71 N 0.00 -6.54 0.00 3.14 2.03 -1.26 -5.38 116.55 108.53 2h3a n ASP 71 Ca 0.00 0.44 0.00 0.00 0.52 0.00 0.00 54.79 55.75 2h3a n ASP 71 Cb 0.00 -4.35 0.00 0.00 -0.72 0.00 0.00 41.12 36.05 2h3a n ASP 71 CO 0.00 0.00 0.00 1.87 -1.92 0.00 0.00 177.20 177.15