#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 1.58 -0.28 0.03 -0.14 -1.26 -5.15 119.74 114.52 2h3a s LYS 2 Ca 0.00 -1.73 0.03 0.00 -1.36 0.00 0.00 55.97 52.90 2h3a s LYS 2 Cb 0.00 0.35 0.07 0.00 -1.68 0.00 0.00 37.83 36.57 2h3a s LYS 2 CO 0.00 -0.60 -0.06 -1.14 -0.76 0.00 0.00 175.35 172.80 2h3a s GLN 3 N -3.66 2.09 -0.48 1.68 2.00 -1.26 -5.08 119.66 114.95 2h3a s GLN 3 Ca 0.36 -1.46 -0.29 0.00 -2.00 0.00 0.00 55.36 51.96 2h3a s GLN 3 Cb 0.03 -3.00 0.03 0.00 0.80 0.00 0.00 33.01 30.86 2h3a s GLN 3 CO 0.18 -0.67 1.15 0.50 -0.50 0.00 0.00 175.29 175.95 2h3a s ARG 4 N 1.07 3.71 -0.23 1.67 3.52 -1.26 -4.98 118.95 122.45 2h3a s ARG 4 Ca -0.04 0.55 0.02 0.00 -0.13 0.00 0.00 55.73 56.13 2h3a s ARG 4 Cb -0.20 -3.92 0.05 0.00 -1.56 0.00 0.00 34.95 29.32 2h3a s ARG 4 CO -0.05 -1.41 -0.12 0.96 -0.81 0.00 0.00 175.30 173.87 2h3a s ILE 5 N 4.51 1.99 -0.07 4.11 -0.00 -1.26 -5.09 121.20 125.39 2h3a s ILE 5 Ca 0.48 -1.34 0.04 0.00 -0.00 0.00 0.00 60.65 59.83 2h3a s ILE 5 Cb -0.07 -2.05 -0.00 0.00 -0.00 0.00 0.00 42.46 40.34 2h3a s ILE 5 CO 0.32 0.12 -0.20 0.28 -0.00 0.00 0.00 174.94 175.46 2h3a s THR 6 N 1.22 1.69 -0.38 8.37 -1.32 -1.26 -5.10 115.64 118.87 2h3a s THR 6 Ca -0.04 -0.84 -0.14 0.00 -1.21 0.00 0.00 61.69 59.46 2h3a s THR 6 Cb -0.18 -1.46 0.01 0.00 -1.51 0.00 0.00 72.50 69.35 2h3a s THR 6 CO -0.07 0.48 0.27 0.54 -2.21 0.00 0.00 174.62 173.62 2h3a s VAL 7 N 0.18 5.21 -0.79 5.08 0.11 -1.26 -5.00 120.40 123.93 2h3a s VAL 7 Ca -0.10 -0.49 -0.25 0.00 -2.93 0.00 0.00 61.98 58.21 2h3a s VAL 7 Cb -0.15 -3.81 -0.06 0.00 -1.53 0.00 0.00 36.38 30.84 2h3a s VAL 7 CO 0.05 -0.18 2.06 0.42 -3.33 0.00 0.00 175.10 174.12 2h3a s THR 8 N 1.69 3.31 0.00 5.04 -4.23 -1.26 -4.90 115.64 115.28 2h3a s THR 8 Ca 0.05 -0.15 0.00 0.00 -1.18 0.00 0.00 61.69 60.41 2h3a s THR 8 Cb -0.18 -3.71 0.00 0.00 1.34 0.00 0.00 72.50 69.94 2h3a s THR 8 CO 0.10 -0.68 0.00 1.33 -0.54 0.00 0.00 174.62 174.83 2h3a n VAL 9 N 7.94 0.00 0.00 2.29 0.24 -1.26 -4.90 118.33 122.64 2h3a n VAL 9 Ca 0.37 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.67 2h3a n VAL 9 Cb 0.48 -0.57 0.00 0.00 -1.47 0.00 0.00 33.84 32.27 2h3a n VAL 9 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 2h3a n ASP 10 N 0.00 0.00 0.00 -1.34 2.03 -1.26 -4.85 116.55 111.13 2h3a n ASP 10 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 2h3a n ASP 10 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 2h3a n ASP 10 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 2h3a n SER 11 N 0.00 0.00 -1.18 1.67 2.88 -1.26 -4.95 113.62 110.78 2h3a n SER 11 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 2h3a n SER 11 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 2h3a n SER 11 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2h3a n ASP 12 N -1.38 2.41 0.00 -3.46 9.92 -1.26 -4.74 116.55 118.04 2h3a n ASP 12 Ca 0.00 -1.49 0.00 0.00 -0.53 0.00 0.00 54.79 52.77 2h3a n ASP 12 Cb 0.00 -0.44 0.00 0.00 -0.64 0.00 0.00 41.12 40.04 2h3a n ASP 12 CO 0.00 0.00 0.00 -1.20 0.13 0.00 0.00 177.20 176.13 2h3a n SER 13 N 0.93 -0.75 0.10 -2.24 7.64 -1.26 -4.88 113.62 113.16 2h3a n SER 13 Ca 0.00 0.00 -0.12 0.00 1.01 0.00 0.00 58.87 59.76 2h3a n SER 13 Cb 0.33 -1.29 -0.05 0.00 -1.01 0.00 0.00 64.21 62.19 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 -0.57 -0.93 1.43 3.20 -1.97 -2.77 116.97 115.36 2h3a h TYR 14 Ca 0.00 0.01 0.20 0.00 3.14 0.00 0.00 58.73 62.08 2h3a h TYR 14 Cb 0.08 0.24 -0.11 0.00 1.54 0.00 0.00 36.73 38.48 2h3a h TYR 14 CO 0.05 -0.31 0.49 1.96 -1.64 0.00 0.00 178.16 178.71 2h3a h GLN 15 N -0.39 0.56 -0.87 1.82 7.50 -1.95 -0.08 115.11 121.70 2h3a h GLN 15 Ca 0.03 -0.03 0.25 0.00 0.50 0.00 0.00 58.65 59.40 2h3a h GLN 15 Cb 0.43 -0.13 -0.03 0.00 0.05 0.00 0.00 27.48 27.80 2h3a h GLN 15 CO -0.14 0.37 0.64 1.25 -1.50 0.00 0.00 178.83 179.45 2h3a h LEU 16 N 0.57 0.00 0.12 1.46 6.46 -1.90 1.81 115.31 123.84 2h3a h LEU 16 Ca 0.55 0.00 -0.01 0.00 -0.12 0.00 0.00 57.88 58.31 2h3a h LEU 16 Cb 0.95 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.88 2h3a h LEU 16 CO -0.44 0.00 -0.06 -0.07 -0.62 0.00 0.00 178.44 177.25 2h3a h LEU 17 N 0.00 -0.13 -1.97 2.25 -0.00 -1.10 -3.33 115.31 111.02 2h3a h LEU 17 Ca 0.41 -0.01 -0.02 0.00 -0.00 0.00 0.00 57.88 58.26 2h3a h LEU 17 Cb 1.68 0.03 -0.00 0.00 -0.00 0.00 0.00 40.66 42.37 2h3a h LEU 17 CO -0.00 0.35 -0.11 0.07 -0.00 0.00 0.00 178.44 178.75 2h3a h LYS 18 N -1.04 0.00 -0.27 1.13 2.10 -1.27 -1.48 116.57 115.74 2h3a h LYS 18 Ca -0.02 0.00 0.08 0.00 -2.00 0.00 0.00 60.65 58.71 2h3a h LYS 18 Cb 0.14 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.46 2h3a h LYS 18 CO 0.03 0.11 0.30 0.00 -2.00 0.00 0.00 179.45 177.88 2h3a h ALA 19 N 1.89 1.92 0.00 0.07 0.00 0.27 -1.52 119.26 121.89 2h3a h ALA 19 Ca -0.00 -0.01 -0.19 0.00 0.00 0.00 0.00 54.91 54.71 2h3a h ALA 19 Cb 0.26 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 2h3a h ALA 19 CO 0.01 -0.43 -1.05 1.88 0.00 0.00 0.00 179.25 179.66 2h3a h TYR 20 N 0.00 0.00 0.00 0.00 0.05 -1.40 -3.49 116.97 112.13 2h3a h TYR 20 Ca 0.13 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.91 2h3a h TYR 20 Cb 0.72 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.46 2h3a h TYR 20 CO 0.00 1.38 0.00 -3.47 -1.05 0.00 0.00 178.16 175.02 2h3a n ASP 21 N -4.46 0.00 -3.01 3.88 2.03 -0.57 -5.14 116.55 109.27 2h3a n ASP 21 Ca -0.28 0.00 0.04 0.00 0.52 0.00 0.00 54.79 55.07 2h3a n ASP 21 Cb 0.64 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.04 2h3a n ASP 21 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 2h3a s VAL 22 N 0.00 -0.20 0.00 5.18 0.11 -1.23 -5.00 120.40 119.26 2h3a s VAL 22 Ca 0.00 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.05 2h3a s VAL 22 Cb 0.00 -0.13 0.00 0.00 -1.53 0.00 0.00 36.38 34.72 2h3a s VAL 22 CO 0.00 0.00 0.00 0.59 -3.33 0.00 0.00 175.10 172.36 2h3a n ASN 23 N 4.59 0.00 0.00 3.54 3.02 -1.26 -2.84 115.26 122.31 2h3a n ASN 23 Ca 0.08 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.63 2h3a n ASN 23 Cb 0.60 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.77 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 0.00 0.00 -0.28 2.41 -6.64 -1.26 -4.49 119.36 109.09 2h3a n ILE 24 Ca 0.00 0.00 -0.07 0.00 -1.77 0.00 0.00 62.75 60.91 2h3a n ILE 24 Cb 0.00 0.96 -0.07 0.00 -1.44 0.00 0.00 39.64 39.10 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 -0.71 0.03 7.28 3.41 -1.26 0.16 113.62 122.54 2h3a n SER 25 Ca 0.00 1.48 -0.08 0.00 -0.26 0.00 0.00 58.87 60.01 2h3a n SER 25 Cb 0.40 -0.30 -0.13 0.00 -0.26 0.00 0.00 64.21 63.92 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 0.00 0.98 5.00 0.00 -1.98 -3.28 103.07 103.80 2h3a h GLY 26 Ca 0.11 -0.01 -0.03 0.00 0.00 0.00 0.00 47.33 47.40 2h3a h GLY 26 CO -0.63 0.01 -0.30 -2.00 0.00 0.00 0.00 176.54 173.62 2h3a h LEU 27 N 0.00 -0.71 0.23 3.11 5.85 -1.54 -0.44 115.31 121.81 2h3a h LEU 27 Ca -0.10 0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.63 2h3a h LEU 27 Cb 1.85 0.18 -0.02 0.00 0.37 0.00 0.00 40.66 43.05 2h3a h LEU 27 CO 0.11 -0.49 -0.29 0.58 -0.34 0.00 0.00 178.44 178.02 2h3a h VAL 28 N -0.87 0.00 -0.90 1.05 2.07 0.14 0.58 116.25 118.33 2h3a h VAL 28 Ca -0.09 0.00 0.19 0.00 0.82 0.00 0.00 66.70 67.63 2h3a h VAL 28 Cb 0.65 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 30.31 2h3a h VAL 28 CO 0.14 0.00 0.44 0.77 0.02 0.00 0.00 177.57 178.94 2h3a h SER 29 N -0.53 0.46 -0.07 0.57 4.64 -1.62 1.90 113.55 118.90 2h3a h SER 29 Ca -0.03 0.13 -0.08 0.00 -0.47 0.00 0.00 61.79 61.33 2h3a h SER 29 Cb 0.48 0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.64 2h3a h SER 29 CO -0.07 0.11 -0.29 0.00 -0.87 0.00 0.00 176.83 175.71 2h3a h THR 30 N 0.52 1.43 -0.49 2.95 1.03 -0.86 -2.93 112.91 114.55 2h3a h THR 30 Ca 0.54 -1.69 -0.04 0.00 -0.01 0.00 0.00 66.41 65.20 2h3a h THR 30 Cb 0.92 2.32 -0.02 0.00 -1.07 0.00 0.00 68.15 70.30 2h3a h THR 30 CO -0.45 0.48 0.14 0.74 -0.01 0.00 0.00 175.52 176.42 2h3a h THR 31 N -0.18 1.21 -0.43 0.00 2.02 0.12 -2.57 112.91 113.07 2h3a h THR 31 Ca -0.02 -0.72 0.07 0.00 0.77 0.00 0.00 66.41 66.51 2h3a h THR 31 Cb 0.93 0.68 -0.06 0.00 -1.74 0.00 0.00 68.15 67.97 2h3a h THR 31 CO 0.06 0.27 0.08 0.24 0.37 0.00 0.00 175.52 176.54 2h3a h MET 32 N 0.72 0.21 -0.71 6.66 2.86 0.30 1.06 114.93 126.03 2h3a h MET 32 Ca 0.16 -0.01 0.02 0.00 -2.06 0.00 0.00 59.70 57.81 2h3a h MET 32 Cb 0.24 -0.05 -0.04 0.00 0.06 0.00 0.00 31.60 31.82 2h3a h MET 32 CO -0.01 0.14 0.47 -0.56 1.06 0.00 0.00 176.91 178.01 2h3a h GLN 33 N 0.21 0.89 -0.05 1.72 3.07 -1.27 3.06 115.11 122.75 2h3a h GLN 33 Ca 0.21 -0.05 -0.13 0.00 0.09 0.00 0.00 58.65 58.77 2h3a h GLN 33 Cb 0.26 -0.20 0.01 0.00 0.08 0.00 0.00 27.48 27.63 2h3a h GLN 33 CO -0.28 0.59 -0.46 -2.95 0.09 0.00 0.00 178.83 175.82 2h3a h ASN 34 N 0.91 0.49 0.66 0.06 7.08 -1.01 -1.36 115.58 122.41 2h3a h ASN 34 Ca 0.27 -0.70 -0.07 0.00 -3.08 0.00 0.00 56.30 52.72 2h3a h ASN 34 Cb -0.04 -0.15 -0.01 0.00 -2.08 0.00 0.00 38.32 36.05 2h3a h ASN 34 CO -0.07 1.11 -0.33 -0.08 -2.08 0.00 0.00 177.43 175.99 2h3a h GLU 35 N -0.09 0.00 -0.15 4.14 4.57 0.17 0.30 114.58 123.52 2h3a h GLU 35 Ca -0.04 0.00 -0.10 0.00 -1.18 0.00 0.00 59.36 58.04 2h3a h GLU 35 Cb 1.14 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.73 2h3a h GLU 35 CO 0.09 0.33 -0.29 0.00 -1.18 0.00 0.00 179.01 177.96 2h3a h ALA 36 N 1.67 0.24 0.33 2.92 0.00 0.56 1.81 119.26 126.80 2h3a h ALA 36 Ca -0.00 -0.41 -0.02 0.00 0.00 0.00 0.00 54.91 54.48 2h3a h ALA 36 Cb 0.74 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.50 2h3a h ALA 36 CO 0.04 0.26 -0.16 0.00 0.00 0.00 0.00 179.25 179.39 2h3a h ARG 37 N 0.09 -0.43 0.21 0.00 3.08 -1.06 -3.36 114.38 112.91 2h3a h ARG 37 Ca 0.01 0.03 -0.32 0.00 0.07 0.00 0.00 59.98 59.77 2h3a h ARG 37 Cb 0.88 0.10 0.03 0.00 0.08 0.00 0.00 29.97 31.06 2h3a h ARG 37 CO 0.07 -0.10 -1.48 -0.09 -1.07 0.00 0.00 179.97 177.29 2h3a h ARG 38 N -0.86 0.45 0.00 0.04 2.43 -1.03 -3.50 114.38 111.91 2h3a h ARG 38 Ca -0.05 -0.77 0.08 0.00 -0.81 0.00 0.00 59.98 58.44 2h3a h ARG 38 Cb 0.53 0.29 -0.02 0.00 -0.42 0.00 0.00 29.97 30.34 2h3a h ARG 38 CO 0.07 1.37 -0.11 1.28 -1.51 0.00 0.00 179.97 181.07 2h3a n LEU 39 N -3.75 0.00 0.00 3.80 4.77 0.61 -5.03 117.00 117.41 2h3a n LEU 39 Ca -0.20 0.33 0.00 0.00 -0.03 0.00 0.00 56.01 56.11 2h3a n LEU 39 Cb 1.05 -1.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 2h3a n LEU 39 CO 0.55 -0.93 0.00 -2.11 -1.33 0.00 0.00 177.39 173.57 2h3a n ARG 40 N -1.47 -2.50 -1.67 3.23 1.85 -1.26 -5.01 116.66 109.84 2h3a n ARG 40 Ca 0.00 0.00 -0.30 0.00 -1.00 0.00 0.00 57.85 56.55 2h3a n ARG 40 Cb 0.14 0.00 0.07 0.00 -1.05 0.00 0.00 32.46 31.62 2h3a n ARG 40 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2h3a s ALA 41 N -2.00 2.48 0.35 2.89 0.00 -1.26 -5.09 121.76 119.13 2h3a s ALA 41 Ca 0.00 -0.25 0.04 0.00 0.00 0.00 0.00 51.96 51.75 2h3a s ALA 41 Cb 0.00 -3.08 0.04 0.00 0.00 0.00 0.00 23.12 20.08 2h3a s ALA 41 CO 0.00 -1.52 0.35 0.39 0.00 0.00 0.00 175.76 174.99 2h3a n GLU 42 N -3.28 0.89 -0.93 0.00 -0.58 -1.26 -5.16 120.64 110.32 2h3a n GLU 42 Ca 0.07 -2.06 0.00 0.00 -0.42 0.00 0.00 57.16 54.75 2h3a n GLU 42 Cb 0.57 0.08 0.00 0.00 -0.57 0.00 0.00 31.44 31.51 2h3a n GLU 42 CO 0.00 0.00 0.00 -2.13 -0.48 0.00 0.00 177.13 174.52 2h3a n ARG 43 N -1.49 0.78 -4.17 3.49 3.00 -1.26 -5.19 116.66 111.81 2h3a n ARG 43 Ca 0.03 0.00 -0.11 0.00 -0.00 0.00 0.00 57.85 57.78 2h3a n ARG 43 Cb 0.38 0.00 -0.10 0.00 0.00 0.00 0.00 32.46 32.74 2h3a n ARG 43 CO 0.00 0.00 0.00 1.67 0.00 0.00 0.00 177.63 179.30 2h3a s TRP 44 N -1.08 0.93 0.02 -0.14 -2.14 -1.26 -5.17 118.94 110.10 2h3a s TRP 44 Ca 0.00 -1.12 -0.29 0.00 2.66 0.00 0.00 56.10 57.35 2h3a s TRP 44 Cb 0.00 -0.54 0.10 0.00 -3.10 0.00 0.00 33.47 29.93 2h3a s TRP 44 CO 0.00 -0.37 1.06 0.15 -2.66 0.00 0.00 176.95 175.14 2h3a s LYS 45 N -3.97 0.76 0.43 3.25 1.02 -1.26 -5.19 119.74 114.78 2h3a s LYS 45 Ca 0.21 -0.38 0.07 0.00 0.02 0.00 0.00 55.97 55.89 2h3a s LYS 45 Cb 0.07 0.29 -0.03 0.00 -0.52 0.00 0.00 37.83 37.64 2h3a s LYS 45 CO 0.00 -0.34 0.31 0.54 -0.92 0.00 0.00 175.35 174.94 2h3a s VAL 46 N -2.89 2.45 0.15 3.17 0.11 -1.26 -5.15 120.40 116.98 2h3a s VAL 46 Ca 0.11 -1.48 -0.23 0.00 -2.93 0.00 0.00 61.98 57.44 2h3a s VAL 46 Cb 0.00 -2.93 0.07 0.00 -1.53 0.00 0.00 36.38 31.99 2h3a s VAL 46 CO -0.03 0.00 0.60 -1.83 -3.33 0.00 0.00 175.10 170.51 2h3a s GLU 47 N -4.06 1.27 0.00 1.54 -1.05 -1.26 -5.16 118.70 109.97 2h3a s GLU 47 Ca 0.45 -0.44 0.00 0.00 -0.15 0.00 0.00 54.97 54.82 2h3a s GLU 47 Cb -0.01 0.59 0.00 0.00 -0.44 0.00 0.00 34.13 34.27 2h3a s GLU 47 CO 0.25 -0.55 0.00 -1.71 0.95 0.00 0.00 175.26 174.21 2h3a n ASN 48 N -0.32 0.00 0.00 0.83 2.85 -1.26 -5.20 115.26 112.16 2h3a n ASN 48 Ca -0.17 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.30 2h3a n ASN 48 Cb 0.65 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.67 2h3a n ASN 48 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2h3a n GLN 49 N -0.48 0.00 -4.37 1.20 -0.00 -1.26 -5.18 117.38 107.29 2h3a n GLN 49 Ca 0.00 0.00 -0.25 0.00 -0.00 0.00 0.00 57.00 56.75 2h3a n GLN 49 Cb 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 30.24 30.11 2h3a n GLN 49 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.06 175.85 2h3a s GLU 50 N -2.00 1.21 -0.29 2.61 0.41 -1.26 -5.14 118.70 114.24 2h3a s GLU 50 Ca 0.00 -1.14 -0.15 0.00 -0.41 0.00 0.00 54.97 53.27 2h3a s GLU 50 Cb 0.00 -1.47 0.12 0.00 -1.78 0.00 0.00 34.13 31.00 2h3a s GLU 50 CO 0.00 0.35 0.84 0.20 -0.49 0.00 0.00 175.26 176.16 2h3a s GLY 51 N -1.77 -0.33 -0.97 -1.39 0.00 -1.26 -5.04 107.32 96.56 2h3a s GLY 51 Ca 0.07 2.79 -0.06 0.00 0.00 0.00 0.00 44.72 47.52 2h3a s GLY 51 CO 0.04 2.62 2.32 1.15 0.00 0.00 0.00 173.10 179.22 2h3a n MET 52 N 4.20 2.33 -2.15 2.90 0.00 -1.26 -4.90 117.12 118.24 2h3a n MET 52 Ca -0.18 -1.53 -0.42 0.00 0.00 0.00 0.00 57.70 55.57 2h3a n MET 52 Cb 0.57 -2.46 -0.03 0.00 0.00 0.00 0.00 33.22 31.30 2h3a n MET 52 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 175.97 176.51 2h3a s VAL 53 N 3.01 3.79 -1.19 3.17 0.11 -1.26 -4.91 120.40 123.13 2h3a s VAL 53 Ca 0.46 1.00 -0.20 0.00 -2.93 0.00 0.00 61.98 60.30 2h3a s VAL 53 Cb 0.13 -3.64 -0.03 0.00 -1.53 0.00 0.00 36.38 31.30 2h3a s VAL 53 CO -0.04 -0.08 1.90 1.21 -3.33 0.00 0.00 175.10 174.77 2h3a n GLU 54 N 6.74 2.24 0.00 1.54 2.13 -1.26 -4.82 120.64 127.21 2h3a n GLU 54 Ca 0.16 -2.65 0.00 0.00 0.66 0.00 0.00 57.16 55.33 2h3a n GLU 54 Cb 0.43 -3.48 0.00 0.00 0.27 0.00 0.00 31.44 28.66 2h3a n GLU 54 CO 0.00 0.00 0.00 1.55 -0.41 0.00 0.00 177.13 178.27 2h3a n VAL 55 N 6.77 0.00 -2.64 6.31 3.14 -1.26 -4.98 118.33 125.68 2h3a n VAL 55 Ca 0.48 0.00 -0.08 0.00 -2.96 0.00 0.00 64.34 61.77 2h3a n VAL 55 Cb 0.45 0.00 0.04 0.00 -1.06 0.00 0.00 33.84 33.27 2h3a n VAL 55 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2h3a n ALA 56 N -3.00 -1.14 -1.08 1.55 0.00 -1.26 -5.03 120.51 110.56 2h3a n ALA 56 Ca 0.00 -0.01 -0.29 0.00 0.00 0.00 0.00 53.44 53.14 2h3a n ALA 56 Cb 0.00 -1.88 0.16 0.00 0.00 0.00 0.00 19.45 17.73 2h3a n ALA 56 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 2h3a s ARG 57 N -4.44 0.78 -0.30 0.00 3.03 -1.26 -5.06 118.95 111.69 2h3a s ARG 57 Ca 0.06 0.80 -0.15 0.00 2.03 0.00 0.00 55.73 58.47 2h3a s ARG 57 Cb -0.01 -1.76 0.18 0.00 -1.03 0.00 0.00 34.95 32.34 2h3a s ARG 57 CO 0.37 -2.56 1.16 0.12 -1.13 0.00 0.00 175.30 173.25 2h3a s PHE 58 N -2.86 -0.09 0.00 5.89 2.19 -1.26 -5.12 117.98 116.72 2h3a s PHE 58 Ca 0.65 0.05 0.00 0.00 0.33 0.00 0.00 56.93 57.95 2h3a s PHE 58 Cb -0.19 0.02 0.00 0.00 -1.31 0.00 0.00 43.02 41.53 2h3a s PHE 58 CO 0.58 -0.06 0.00 -0.89 1.83 0.00 0.00 175.22 176.68 2h3a n ILE 59 N 4.66 0.00 -3.69 3.12 2.08 -1.26 -5.19 119.36 119.08 2h3a n ILE 59 Ca 0.09 0.00 -0.09 0.00 0.56 0.00 0.00 62.75 63.32 2h3a n ILE 59 Cb 0.60 0.00 -0.02 0.00 -0.75 0.00 0.00 39.64 39.47 2h3a n ILE 59 CO 0.00 0.00 0.00 -0.70 0.56 0.00 0.00 176.55 176.41 2h3a s GLU 60 N 0.00 1.55 0.00 0.38 2.56 -1.26 -5.14 118.70 116.79 2h3a s GLU 60 Ca 0.00 -0.77 0.00 0.00 0.00 0.00 0.00 54.97 54.20 2h3a s GLU 60 Cb 0.00 0.59 0.00 0.00 2.00 0.00 0.00 34.13 36.72 2h3a s GLU 60 CO 0.00 -0.70 0.00 -0.12 -0.56 0.00 0.00 175.26 173.88 2h3a n MET 61 N -0.43 0.00 -3.15 4.30 0.00 -1.26 -5.14 117.12 111.44 2h3a n MET 61 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.61 2h3a n MET 61 Cb 0.61 -0.15 0.00 0.00 0.00 0.00 0.00 33.22 33.69 2h3a n MET 61 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 175.97 174.26 2h3a n ASN 62 N -0.47 0.00 -4.57 6.12 2.85 -1.26 -5.13 115.26 112.80 2h3a n ASN 62 Ca 0.00 0.00 -0.38 0.00 -0.11 0.00 0.00 54.58 54.09 2h3a n ASN 62 Cb 0.00 0.00 -0.11 0.00 1.24 0.00 0.00 39.78 40.91 2h3a n ASN 62 CO 0.00 0.00 0.00 -0.83 -2.11 0.00 0.00 177.26 174.32 2h3a s GLY 63 N 0.00 1.92 -1.10 8.20 0.00 -1.26 -5.00 107.32 110.08 2h3a s GLY 63 Ca 0.00 -1.15 -0.26 0.00 0.00 0.00 0.00 44.72 43.32 2h3a s GLY 63 CO 0.00 0.66 2.08 -0.56 0.00 0.00 0.00 173.10 175.28 2h3a s SER 64 N 1.74 3.80 -0.30 1.64 0.01 -1.26 -4.79 113.70 114.54 2h3a s SER 64 Ca 0.07 -1.11 -0.03 0.00 1.31 0.00 0.00 55.95 56.19 2h3a s SER 64 Cb -0.16 -2.59 0.11 0.00 0.21 0.00 0.00 66.02 63.58 2h3a s SER 64 CO 0.10 -4.37 0.16 0.12 0.41 0.00 0.00 173.24 169.66 2h3a s PHE 65 N 15.63 0.32 -0.27 2.43 2.19 -1.26 -5.09 117.98 131.92 2h3a s PHE 65 Ca 0.79 -0.95 -0.01 0.00 0.33 0.00 0.00 56.93 57.09 2h3a s PHE 65 Cb -0.04 -0.86 0.12 0.00 -1.31 0.00 0.00 43.02 40.93 2h3a s PHE 65 CO 0.17 -0.84 0.27 0.00 1.83 0.00 0.00 175.22 176.65 2h3a s ALA 66 N 1.95 -0.32 -0.08 11.12 0.00 -1.26 -5.04 121.76 128.12 2h3a s ALA 66 Ca 0.11 -0.28 -0.15 0.00 0.00 0.00 0.00 51.96 51.64 2h3a s ALA 66 Cb -0.17 -1.67 -0.11 0.00 0.00 0.00 0.00 23.12 21.16 2h3a s ALA 66 CO -0.30 -1.61 0.53 -0.44 0.00 0.00 0.00 175.76 173.93 2h3a h ASP 67 N 8.29 -0.13 -5.56 0.00 5.19 -2.03 -3.49 116.42 118.69 2h3a h ASP 67 Ca -0.15 -0.30 -0.07 0.00 -0.62 0.00 0.00 57.03 55.89 2h3a h ASP 67 Cb 1.08 0.03 0.00 0.00 0.18 0.00 0.00 39.33 40.63 2h3a h ASP 67 CO 0.34 0.47 -0.27 -0.62 -3.12 0.00 0.00 179.24 176.04 2h3a n GLU 68 N -4.85 -1.57 0.00 3.56 -0.58 -1.26 -5.04 120.64 110.90 2h3a n GLU 68 Ca -0.05 1.53 0.00 0.00 -0.42 0.00 0.00 57.16 58.22 2h3a n GLU 68 Cb 0.21 -5.22 0.00 0.00 -0.57 0.00 0.00 31.44 25.86 2h3a n GLU 68 CO 0.00 0.00 0.00 0.27 -0.48 0.00 0.00 177.13 176.92 2h3a n ASN 69 N -1.53 0.00 0.00 1.62 6.94 -1.26 -5.07 115.26 115.95 2h3a n ASN 69 Ca -0.02 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.54 2h3a n ASN 69 Cb 0.52 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.94 2h3a n ASN 69 CO 0.00 0.00 0.00 1.17 -1.03 0.00 0.00 177.26 177.40 2h3a n LYS 70 N 0.00 0.00 0.00 -3.83 0.00 -1.26 -5.08 118.16 107.99 2h3a n LYS 70 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.31 2h3a n LYS 70 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.03 2h3a n LYS 70 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 2h3a n ASP 71 N -0.48 0.00 0.00 3.14 9.92 -1.26 -5.35 116.55 122.52 2h3a n ASP 71 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.26 2h3a n ASP 71 Cb 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.48 2h3a n ASP 71 CO 0.00 0.00 0.00 0.79 0.13 0.00 0.00 177.20 178.12