#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 0.01 -0.28 0.03 -0.14 -1.26 -5.10 119.74 113.00 2h3a s LYS 2 Ca 0.00 0.16 0.01 0.00 -1.36 0.00 0.00 55.97 54.78 2h3a s LYS 2 Cb 0.00 -1.13 0.06 0.00 -1.68 0.00 0.00 37.83 35.08 2h3a s LYS 2 CO 0.00 -0.48 -0.05 -1.14 -0.76 0.00 0.00 175.35 172.92 2h3a s GLN 3 N 2.15 2.27 -0.43 1.68 2.00 -1.26 -5.07 119.66 121.00 2h3a s GLN 3 Ca 0.04 -1.36 -0.29 0.00 -2.00 0.00 0.00 55.36 51.75 2h3a s GLN 3 Cb -0.14 -3.04 0.02 0.00 0.80 0.00 0.00 33.01 30.65 2h3a s GLN 3 CO -0.06 -0.62 1.16 0.50 -0.50 0.00 0.00 175.29 175.77 2h3a s ARG 4 N 1.15 3.79 -0.21 1.67 3.52 -1.26 -4.99 118.95 122.62 2h3a s ARG 4 Ca -0.06 0.74 -0.09 0.00 -0.13 0.00 0.00 55.73 56.19 2h3a s ARG 4 Cb -0.20 -3.88 -0.04 0.00 -1.56 0.00 0.00 34.95 29.26 2h3a s ARG 4 CO -0.04 -1.29 0.10 0.96 -0.81 0.00 0.00 175.30 174.22 2h3a s ILE 5 N 4.39 5.00 -0.08 4.11 -4.36 -1.26 -5.09 121.20 123.91 2h3a s ILE 5 Ca 0.49 0.05 0.00 0.00 -0.26 0.00 0.00 60.65 60.93 2h3a s ILE 5 Cb -0.09 -3.29 0.02 0.00 1.25 0.00 0.00 42.46 40.35 2h3a s ILE 5 CO 0.28 0.42 -0.06 0.28 0.24 0.00 0.00 174.94 176.09 2h3a s THR 6 N 0.65 0.80 -0.47 8.37 -1.32 -1.26 -5.10 115.64 117.32 2h3a s THR 6 Ca 0.05 -0.21 -0.16 0.00 -1.21 0.00 0.00 61.69 60.16 2h3a s THR 6 Cb -0.13 -0.82 0.07 0.00 -1.51 0.00 0.00 72.50 70.11 2h3a s THR 6 CO 0.01 0.31 0.41 0.54 -2.21 0.00 0.00 174.62 173.68 2h3a s VAL 7 N 1.32 5.20 -0.92 5.08 0.11 -1.26 -5.00 120.40 124.94 2h3a s VAL 7 Ca -0.04 -0.98 -0.24 0.00 -2.93 0.00 0.00 61.98 57.79 2h3a s VAL 7 Cb -0.14 -4.13 -0.04 0.00 -1.53 0.00 0.00 36.38 30.54 2h3a s VAL 7 CO -0.03 -0.58 1.93 0.42 -3.33 0.00 0.00 175.10 173.50 2h3a s THR 8 N 1.74 3.47 0.00 5.04 -4.23 -1.26 -4.81 115.64 115.60 2h3a s THR 8 Ca 0.05 -0.40 0.00 0.00 -1.18 0.00 0.00 61.69 60.16 2h3a s THR 8 Cb -0.23 -4.07 0.00 0.00 1.34 0.00 0.00 72.50 69.54 2h3a s THR 8 CO 0.07 -0.99 0.00 0.55 -0.54 0.00 0.00 174.62 173.71 2h3a n VAL 9 N 7.83 0.00 -1.00 2.29 3.14 -1.26 -4.91 118.33 124.42 2h3a n VAL 9 Ca 0.40 0.00 -0.00 0.00 -2.96 0.00 0.00 64.34 61.78 2h3a n VAL 9 Cb 0.47 0.00 -0.00 0.00 -1.06 0.00 0.00 33.84 33.25 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 -3.39 0.03 6.55 2.03 -1.26 -4.76 116.55 115.75 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 -0.89 0.00 0.00 -0.72 0.00 0.00 41.12 39.51 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 -0.09 0.18 0.00 1.67 7.64 -1.26 -4.99 113.62 116.77 2h3a n SER 11 Ca -0.00 0.09 0.00 0.00 1.01 0.00 0.00 58.87 59.97 2h3a n SER 11 Cb 0.07 -0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.26 2h3a n SER 11 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2h3a n ASP 12 N -2.82 0.00 0.00 6.43 9.92 -1.26 -4.89 116.55 123.93 2h3a n ASP 12 Ca 0.00 0.55 0.00 0.00 -0.53 0.00 0.00 54.79 54.81 2h3a n ASP 12 Cb 0.00 -0.05 0.00 0.00 -0.64 0.00 0.00 41.12 40.43 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 -0.87 0.00 -0.08 -2.24 7.64 -1.26 -5.05 113.62 111.76 2h3a n SER 13 Ca 0.00 0.00 -0.16 0.00 1.01 0.00 0.00 58.87 59.72 2h3a n SER 13 Cb 0.00 0.00 -0.13 0.00 -1.01 0.00 0.00 64.21 63.07 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 0.01 -1.02 1.43 3.20 -1.97 -3.38 116.97 115.24 2h3a h TYR 14 Ca 0.00 -0.01 0.25 0.00 3.14 0.00 0.00 58.73 62.11 2h3a h TYR 14 Cb 0.00 -0.00 -0.10 0.00 1.54 0.00 0.00 36.73 38.17 2h3a h TYR 14 CO 0.00 1.14 0.64 1.96 -1.64 0.00 0.00 178.16 180.26 2h3a h GLN 15 N -0.98 0.48 0.40 1.82 7.50 -1.97 -2.32 115.11 120.04 2h3a h GLN 15 Ca -0.10 -0.03 -0.01 0.00 0.50 0.00 0.00 58.65 59.02 2h3a h GLN 15 Cb 1.10 -0.11 -0.02 0.00 0.05 0.00 0.00 27.48 28.50 2h3a h GLN 15 CO -0.05 0.32 -0.36 -0.07 -1.50 0.00 0.00 178.83 177.17 2h3a h LEU 16 N 0.49 -0.95 -0.58 1.46 3.38 -1.96 1.48 115.31 118.64 2h3a h LEU 16 Ca 0.60 0.08 0.12 0.00 0.09 0.00 0.00 57.88 58.76 2h3a h LEU 16 Cb 1.34 0.31 -0.09 0.00 0.09 0.00 0.00 40.66 42.30 2h3a h LEU 16 CO -0.35 -0.51 0.02 0.25 0.09 0.00 0.00 178.44 177.94 2h3a h LEU 17 N -0.77 -0.21 0.14 1.67 7.12 -1.63 0.46 115.31 122.10 2h3a h LEU 17 Ca -0.03 0.14 -0.28 0.00 0.13 0.00 0.00 57.88 57.83 2h3a h LEU 17 Cb 0.67 0.23 0.01 0.00 -0.53 0.00 0.00 40.66 41.05 2h3a h LEU 17 CO -0.04 -0.08 -1.29 0.07 -0.13 0.00 0.00 178.44 176.97 2h3a h LYS 18 N 0.14 0.30 0.00 1.25 2.10 -1.37 0.46 116.57 119.45 2h3a h LYS 18 Ca 0.30 -0.52 -0.03 0.00 -2.00 0.00 0.00 60.65 58.40 2h3a h LYS 18 Cb 0.47 0.19 -0.00 0.00 -0.90 0.00 0.00 32.23 31.99 2h3a h LYS 18 CO -0.47 1.24 -0.14 0.00 -2.00 0.00 0.00 179.45 178.08 2h3a h ALA 19 N 0.52 1.04 0.13 0.07 0.00 0.26 -3.05 119.26 118.23 2h3a h ALA 19 Ca -0.16 -0.12 -0.33 0.00 0.00 0.00 0.00 54.91 54.30 2h3a h ALA 19 Cb 2.00 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.76 2h3a h ALA 19 CO 0.21 0.17 -1.74 0.10 0.00 0.00 0.00 179.25 177.99 2h3a h TYR 20 N 0.00 0.52 0.00 0.00 -0.00 -0.12 -3.48 116.97 113.88 2h3a h TYR 20 Ca -0.00 -0.38 0.00 0.00 0.00 0.00 0.00 58.73 58.35 2h3a h TYR 20 Cb 0.62 -0.02 0.00 0.00 0.00 0.00 0.00 36.73 37.33 2h3a h TYR 20 CO 0.00 1.69 0.00 -0.25 -0.00 0.00 0.00 178.16 179.60 2h3a n ASP 21 N -3.68 0.00 -3.88 0.10 8.00 -0.92 -4.83 116.55 111.34 2h3a n ASP 21 Ca -0.28 0.00 -0.29 0.00 0.71 0.00 0.00 54.79 54.93 2h3a n ASP 21 Cb 1.00 0.00 -0.13 0.00 -0.02 0.00 0.00 41.12 41.97 2h3a n ASP 21 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2h3a s VAL 22 N 0.00 2.46 0.00 2.53 1.01 0.16 -4.94 120.40 121.62 2h3a s VAL 22 Ca 0.00 -3.56 -0.01 0.00 0.00 0.00 0.00 61.98 58.41 2h3a s VAL 22 Cb 0.00 -2.67 -0.06 0.00 0.00 0.00 0.00 36.38 33.65 2h3a s VAL 22 CO 0.00 -0.91 1.17 -0.46 0.00 0.00 0.00 175.10 174.90 2h3a n ASN 23 N 2.73 1.34 0.00 3.32 0.23 -1.26 -2.68 115.26 118.93 2h3a n ASN 23 Ca 0.12 -1.69 0.00 0.00 -0.53 0.00 0.00 54.58 52.48 2h3a n ASN 23 Cb 0.34 -0.35 0.00 0.00 -2.08 0.00 0.00 39.78 37.69 2h3a n ASN 23 CO 0.00 0.00 0.00 2.30 -0.93 0.00 0.00 177.26 178.63 2h3a n ILE 24 N 2.71 0.00 -0.27 1.53 -6.64 -1.26 -4.72 119.36 110.70 2h3a n ILE 24 Ca 0.09 0.00 -0.07 0.00 -1.77 0.00 0.00 62.75 61.00 2h3a n ILE 24 Cb 0.22 0.00 -0.07 0.00 -1.44 0.00 0.00 39.64 38.35 2h3a n ILE 24 CO 0.00 0.00 0.00 -0.24 -1.77 0.00 0.00 176.55 174.54 2h3a n SER 25 N 0.00 -0.69 0.08 7.28 2.88 -1.26 0.71 113.62 122.61 2h3a n SER 25 Ca 0.00 1.42 -0.02 0.00 -1.33 0.00 0.00 58.87 58.94 2h3a n SER 25 Cb 0.00 -0.28 -0.06 0.00 -0.75 0.00 0.00 64.21 63.12 2h3a n SER 25 CO 0.00 0.00 0.00 1.23 -1.23 0.00 0.00 175.04 175.04 2h3a h GLY 26 N 0.00 0.00 0.79 0.46 0.00 -1.94 -3.26 103.07 99.12 2h3a h GLY 26 Ca 0.10 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.40 2h3a h GLY 26 CO -0.61 0.00 -0.38 -2.00 0.00 0.00 0.00 176.54 173.55 2h3a h LEU 27 N 0.00 -0.90 0.06 3.11 7.12 -1.33 0.41 115.31 123.77 2h3a h LEU 27 Ca -0.07 0.03 0.00 0.00 0.13 0.00 0.00 57.88 57.97 2h3a h LEU 27 Cb 1.61 0.23 -0.02 0.00 -0.53 0.00 0.00 40.66 41.96 2h3a h LEU 27 CO 0.08 -0.64 -0.19 0.58 -0.13 0.00 0.00 178.44 178.14 2h3a h VAL 28 N -1.06 0.00 -0.97 1.05 2.07 0.12 1.43 116.25 118.88 2h3a h VAL 28 Ca -0.11 0.00 0.26 0.00 0.82 0.00 0.00 66.70 67.67 2h3a h VAL 28 Cb 0.81 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 30.45 2h3a h VAL 28 CO 0.18 0.00 0.52 0.77 0.02 0.00 0.00 177.57 179.06 2h3a h SER 29 N -0.28 0.52 0.03 0.57 4.64 -1.61 1.59 113.55 119.01 2h3a h SER 29 Ca -0.00 0.16 -0.07 0.00 -0.47 0.00 0.00 61.79 61.41 2h3a h SER 29 Cb 0.28 0.10 0.01 0.00 -0.31 0.00 0.00 62.40 62.47 2h3a h SER 29 CO -0.10 0.00 -0.28 0.00 -0.87 0.00 0.00 176.83 175.58 2h3a h THR 30 N 0.45 1.63 -0.51 2.95 1.03 0.32 -2.31 112.91 116.47 2h3a h THR 30 Ca 0.65 -2.21 0.09 0.00 -0.01 0.00 0.00 66.41 64.93 2h3a h THR 30 Cb 1.31 3.08 -0.07 0.00 -1.07 0.00 0.00 68.15 71.39 2h3a h THR 30 CO -0.53 0.60 0.10 0.74 -0.01 0.00 0.00 175.52 176.42 2h3a h THR 31 N -0.65 0.71 -0.49 0.00 2.02 0.32 0.14 112.91 114.95 2h3a h THR 31 Ca -0.04 -0.08 0.07 0.00 0.77 0.00 0.00 66.41 67.12 2h3a h THR 31 Cb 1.13 0.45 -0.06 0.00 -1.74 0.00 0.00 68.15 67.93 2h3a h THR 31 CO 0.05 0.04 0.16 0.24 0.37 0.00 0.00 175.52 176.39 2h3a h MET 32 N 0.24 0.32 -0.21 6.66 2.86 0.22 1.15 114.93 126.16 2h3a h MET 32 Ca 0.26 -0.02 0.03 0.00 -2.06 0.00 0.00 59.70 57.91 2h3a h MET 32 Cb 0.35 -0.07 -0.03 0.00 0.06 0.00 0.00 31.60 31.91 2h3a h MET 32 CO -0.34 0.21 0.03 0.37 1.06 0.00 0.00 176.91 178.24 2h3a h GLN 33 N 0.33 0.10 0.04 1.72 4.15 -0.36 2.65 115.11 123.75 2h3a h GLN 33 Ca 0.24 -0.01 -0.00 0.00 0.77 0.00 0.00 58.65 59.65 2h3a h GLN 33 Cb 0.26 -0.02 0.00 0.00 0.21 0.00 0.00 27.48 27.93 2h3a h GLN 33 CO -0.25 0.07 -0.02 -0.97 -1.93 0.00 0.00 178.83 175.73 2h3a h ASN 34 N 0.11 -0.05 0.52 -0.69 -1.24 0.04 0.22 115.58 114.49 2h3a h ASN 34 Ca 0.10 -0.17 0.00 0.00 0.71 0.00 0.00 56.30 56.94 2h3a h ASN 34 Cb 0.10 0.01 0.00 0.00 0.73 0.00 0.00 38.32 39.17 2h3a h ASN 34 CO -0.14 0.14 0.00 -0.62 -1.29 0.00 0.00 177.43 175.52 2h3a n GLU 35 N -5.03 0.09 -0.02 6.67 -0.58 0.39 -1.52 120.64 120.63 2h3a n GLU 35 Ca -0.08 0.17 -0.22 0.00 -0.42 0.00 0.00 57.16 56.62 2h3a n GLU 35 Cb 0.13 -1.50 -0.13 0.00 -0.57 0.00 0.00 31.44 29.37 2h3a n GLU 35 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2h3a h ALA 36 N 2.69 0.28 0.30 0.62 0.00 0.56 -0.88 119.26 122.84 2h3a h ALA 36 Ca 0.00 -1.22 -0.01 0.00 0.00 0.00 0.00 54.91 53.68 2h3a h ALA 36 Cb 0.26 0.62 0.00 0.00 0.00 0.00 0.00 17.79 18.67 2h3a h ALA 36 CO 0.00 0.95 -0.15 0.00 0.00 0.00 0.00 179.25 180.06 2h3a h ARG 37 N -0.36 -0.39 0.13 0.00 3.08 -0.44 -3.37 114.38 113.03 2h3a h ARG 37 Ca -0.35 0.03 -0.32 0.00 0.07 0.00 0.00 59.98 59.41 2h3a h ARG 37 Cb 1.73 0.09 -0.01 0.00 0.08 0.00 0.00 29.97 31.87 2h3a h ARG 37 CO -0.00 -0.11 -1.60 0.00 -1.07 0.00 0.00 179.97 177.19 2h3a h ARG 38 N -1.00 0.27 -6.67 0.04 3.08 -1.49 -3.49 114.38 105.11 2h3a h ARG 38 Ca -0.04 -0.46 -0.48 0.00 0.07 0.00 0.00 59.98 59.06 2h3a h ARG 38 Cb 0.47 0.17 0.00 0.00 0.08 0.00 0.00 29.97 30.69 2h3a h ARG 38 CO 0.07 1.13 -0.99 1.28 -1.07 0.00 0.00 179.97 180.39 2h3a n LEU 39 N -3.46 -1.81 -3.19 3.04 4.32 -0.33 -4.97 117.00 110.59 2h3a n LEU 39 Ca -0.19 -1.01 0.05 0.00 -0.02 0.00 0.00 56.01 54.84 2h3a n LEU 39 Cb 1.05 -1.80 -0.02 0.00 -1.62 0.00 0.00 43.42 41.03 2h3a n LEU 39 CO 0.50 0.42 0.66 -0.60 -1.22 0.00 0.00 177.39 177.14 2h3a s ARG 40 N -5.62 0.16 -0.18 3.23 3.52 -1.26 -5.04 118.95 113.77 2h3a s ARG 40 Ca 0.18 0.33 -0.01 0.00 -0.13 0.00 0.00 55.73 56.09 2h3a s ARG 40 Cb -0.09 0.19 -0.00 0.00 -1.56 0.00 0.00 34.95 33.48 2h3a s ARG 40 CO 0.91 -0.14 -0.11 0.00 -0.81 0.00 0.00 175.30 175.14 2h3a s ALA 41 N 2.76 2.62 1.00 6.12 0.00 -1.26 -5.03 121.76 127.97 2h3a s ALA 41 Ca -0.02 -1.10 -0.16 0.00 0.00 0.00 0.00 51.96 50.67 2h3a s ALA 41 Cb -0.08 -1.42 0.21 0.00 0.00 0.00 0.00 23.12 21.83 2h3a s ALA 41 CO -0.12 -0.21 1.28 -1.21 0.00 0.00 0.00 175.76 175.50 2h3a s GLU 42 N 1.10 0.38 0.50 0.00 0.41 -1.26 -5.02 118.70 114.81 2h3a s GLU 42 Ca 0.00 -0.34 -0.22 0.00 -0.41 0.00 0.00 54.97 54.01 2h3a s GLU 42 Cb -0.14 -1.81 -0.06 0.00 -1.78 0.00 0.00 34.13 30.34 2h3a s GLU 42 CO -0.03 -2.60 1.22 1.03 -0.49 0.00 0.00 175.26 174.40 2h3a s ARG 43 N -5.80 3.47 0.29 1.61 1.81 -1.26 -5.05 118.95 114.02 2h3a s ARG 43 Ca 0.73 1.91 0.11 0.00 -1.72 0.00 0.00 55.73 56.76 2h3a s ARG 43 Cb -0.05 -2.29 -0.05 0.00 -0.45 0.00 0.00 34.95 32.11 2h3a s ARG 43 CO 0.53 -0.83 -0.12 -1.58 -0.68 0.00 0.00 175.30 172.63 2h3a s TRP 44 N -1.49 2.43 0.00 -0.53 0.52 -1.26 -5.13 118.94 113.49 2h3a s TRP 44 Ca 0.68 -0.33 0.00 0.00 0.02 0.00 0.00 56.10 56.47 2h3a s TRP 44 Cb -0.32 -1.14 0.00 0.00 -1.15 0.00 0.00 33.47 30.86 2h3a s TRP 44 CO 0.38 0.65 0.00 1.17 0.02 0.00 0.00 176.95 179.17 2h3a n LYS 45 N -0.75 0.00 -3.63 4.98 4.81 -1.26 -5.15 118.16 117.16 2h3a n LYS 45 Ca -0.05 0.00 -0.03 0.00 -0.87 0.00 0.00 58.31 57.36 2h3a n LYS 45 Cb 0.60 0.00 -0.03 0.00 0.02 0.00 0.00 35.03 35.63 2h3a n LYS 45 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 2h3a s VAL 46 N 0.53 0.00 0.20 3.15 0.11 -1.26 -5.19 120.40 117.94 2h3a s VAL 46 Ca 0.00 0.00 -0.22 0.00 -2.93 0.00 0.00 61.98 58.83 2h3a s VAL 46 Cb 0.00 -1.00 0.07 0.00 -1.53 0.00 0.00 36.38 33.92 2h3a s VAL 46 CO 0.00 0.00 0.97 -1.61 -3.33 0.00 0.00 175.10 171.13 2h3a s GLU 47 N -1.85 1.41 0.00 1.54 0.41 -1.26 -5.19 118.70 113.76 2h3a s GLU 47 Ca 0.10 -0.86 0.00 0.00 -0.41 0.00 0.00 54.97 53.79 2h3a s GLU 47 Cb -0.01 0.43 0.00 0.00 -1.78 0.00 0.00 34.13 32.77 2h3a s GLU 47 CO -0.04 -0.66 0.00 0.09 -0.49 0.00 0.00 175.26 174.16 2h3a n ASN 48 N -0.95 0.00 -4.20 -0.19 4.13 -1.26 -5.12 115.26 107.67 2h3a n ASN 48 Ca -0.05 -0.86 -0.29 0.00 1.68 0.00 0.00 54.58 55.06 2h3a n ASN 48 Cb 0.60 0.00 -0.16 0.00 -1.54 0.00 0.00 39.78 38.68 2h3a n ASN 48 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2h3a s GLN 49 N -1.64 2.32 0.07 3.52 -2.07 -1.26 -5.14 119.66 115.47 2h3a s GLN 49 Ca 0.00 -0.77 -0.09 0.00 -1.82 0.00 0.00 55.36 52.68 2h3a s GLN 49 Cb 0.00 -1.93 0.00 0.00 -1.09 0.00 0.00 33.01 29.99 2h3a s GLN 49 CO 0.00 0.28 0.20 -1.83 -1.32 0.00 0.00 175.29 172.62 2h3a s GLU 50 N 0.04 0.79 0.00 9.60 -1.05 -1.26 -5.18 118.70 121.64 2h3a s GLU 50 Ca -0.07 -0.82 0.00 0.00 -0.15 0.00 0.00 54.97 53.93 2h3a s GLU 50 Cb -0.14 0.32 0.00 0.00 -0.44 0.00 0.00 34.13 33.88 2h3a s GLU 50 CO 0.04 -0.24 0.00 0.41 0.95 0.00 0.00 175.26 176.42 2h3a n GLY 51 N 0.23 0.81 2.03 -3.83 0.00 -1.26 -5.04 105.19 98.12 2h3a n GLY 51 Ca -0.17 -0.78 0.00 0.00 0.00 0.00 0.00 46.02 45.07 2h3a n GLY 51 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2h3a n MET 52 N -0.16 0.00 -4.04 1.61 2.81 -1.26 -5.17 117.12 110.91 2h3a n MET 52 Ca 0.00 0.00 -0.09 0.00 -1.81 0.00 0.00 57.70 55.80 2h3a n MET 52 Cb 0.00 0.00 -0.09 0.00 -0.71 0.00 0.00 33.22 32.42 2h3a n MET 52 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 2h3a s VAL 53 N -1.34 0.14 0.68 2.03 0.11 -1.26 -5.15 120.40 115.61 2h3a s VAL 53 Ca 0.00 -1.64 -0.17 0.00 -2.93 0.00 0.00 61.98 57.24 2h3a s VAL 53 Cb 0.00 -1.72 -0.07 0.00 -1.53 0.00 0.00 36.38 33.07 2h3a s VAL 53 CO 0.00 -0.62 0.40 -0.62 -3.33 0.00 0.00 175.10 170.92 2h3a n GLU 54 N -0.05 0.31 0.00 1.54 1.02 -1.26 -5.03 120.64 117.16 2h3a n GLU 54 Ca -0.10 0.13 0.00 0.00 -0.02 0.00 0.00 57.16 57.17 2h3a n GLU 54 Cb 0.63 -1.68 0.00 0.00 -0.02 0.00 0.00 31.44 30.37 2h3a n GLU 54 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 2h3a n VAL 55 N -2.14 0.00 -3.15 2.62 0.31 -1.26 -5.14 118.33 109.57 2h3a n VAL 55 Ca 0.10 0.00 0.03 0.00 -0.01 0.00 0.00 64.34 64.45 2h3a n VAL 55 Cb 0.49 0.00 -0.00 0.00 -0.91 0.00 0.00 33.84 33.42 2h3a n VAL 55 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2h3a s ALA 56 N -2.33 -2.62 0.96 3.52 0.00 -1.26 -5.16 121.76 114.86 2h3a s ALA 56 Ca 0.00 0.69 -0.11 0.00 0.00 0.00 0.00 51.96 52.54 2h3a s ALA 56 Cb 0.00 -2.68 0.15 0.00 0.00 0.00 0.00 23.12 20.59 2h3a s ALA 56 CO 0.00 -2.07 1.03 2.89 0.00 0.00 0.00 175.76 177.61 2h3a n ARG 57 N 4.81 -0.70 -3.15 0.00 1.85 -1.26 -5.04 116.66 113.17 2h3a n ARG 57 Ca 0.08 -0.15 0.05 0.00 -1.00 0.00 0.00 57.85 56.83 2h3a n ARG 57 Cb 0.56 -2.29 -0.00 0.00 -1.05 0.00 0.00 32.46 29.68 2h3a n ARG 57 CO 0.00 0.00 0.00 0.12 -0.01 0.00 0.00 177.63 177.74 2h3a s PHE 58 N -2.58 -1.03 0.00 2.89 2.19 -1.26 -5.12 117.98 113.07 2h3a s PHE 58 Ca 0.66 0.70 0.00 0.00 0.33 0.00 0.00 56.93 58.61 2h3a s PHE 58 Cb -0.23 0.21 0.00 0.00 -1.31 0.00 0.00 43.02 41.69 2h3a s PHE 58 CO 0.60 -0.59 0.00 -0.89 1.83 0.00 0.00 175.22 176.17 2h3a n ILE 59 N 5.29 0.00 -3.30 3.12 5.41 -1.26 -5.06 119.36 123.56 2h3a n ILE 59 Ca 0.05 0.00 -0.27 0.00 1.00 0.00 0.00 62.75 63.53 2h3a n ILE 59 Cb 0.55 -0.27 0.03 0.00 -0.71 0.00 0.00 39.64 39.24 2h3a n ILE 59 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 176.55 177.76 2h3a n GLU 60 N 0.00 -1.96 -3.61 0.38 0.00 -1.26 -4.98 120.64 109.21 2h3a n GLU 60 Ca 0.00 1.59 -0.29 0.00 0.00 0.00 0.00 57.16 58.47 2h3a n GLU 60 Cb 0.00 -2.95 -0.12 0.00 0.00 0.00 0.00 31.44 28.37 2h3a n GLU 60 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.13 178.54 2h3a s MET 61 N -2.34 1.23 0.44 5.31 1.75 -1.26 -5.12 119.30 119.31 2h3a s MET 61 Ca 0.31 -2.11 0.08 0.00 -1.25 0.00 0.00 55.69 52.72 2h3a s MET 61 Cb -0.04 -2.08 0.00 0.00 2.84 0.00 0.00 34.83 35.55 2h3a s MET 61 CO 0.77 -1.25 0.47 0.54 -0.65 0.00 0.00 175.02 174.91 2h3a s ASN 62 N 0.15 5.23 0.00 1.11 2.20 -1.26 -5.06 114.94 117.31 2h3a s ASN 62 Ca 0.23 -0.67 0.00 0.00 -0.94 0.00 0.00 52.86 51.47 2h3a s ASN 62 Cb -0.14 -0.48 0.00 0.00 -2.00 0.00 0.00 41.25 38.63 2h3a s ASN 62 CO -0.07 -0.77 0.00 0.61 -2.94 0.00 0.00 177.10 173.93 2h3a n GLY 63 N -1.71 4.15 3.38 0.45 0.00 -1.26 -5.17 105.19 105.03 2h3a n GLY 63 Ca 0.06 -1.18 -0.14 0.00 0.00 0.00 0.00 46.02 44.75 2h3a n GLY 63 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2h3a s SER 64 N 0.00 -0.45 -0.30 1.61 0.15 -1.26 -5.14 113.70 108.31 2h3a s SER 64 Ca 0.00 0.67 -0.10 0.00 0.70 0.00 0.00 55.95 57.22 2h3a s SER 64 Cb 0.00 0.71 0.19 0.00 -1.71 0.00 0.00 66.02 65.21 2h3a s SER 64 CO 0.00 -0.35 1.02 0.12 1.20 0.00 0.00 173.24 175.23 2h3a s PHE 65 N -0.51 -0.53 -0.41 3.44 5.36 -1.26 -5.07 117.98 118.99 2h3a s PHE 65 Ca -0.06 0.28 0.07 0.00 -0.96 0.00 0.00 56.93 56.26 2h3a s PHE 65 Cb -0.03 0.09 0.34 0.00 -0.34 0.00 0.00 43.02 43.08 2h3a s PHE 65 CO 0.04 -0.32 1.25 0.00 -1.46 0.00 0.00 175.22 174.73 2h3a n ALA 66 N 4.91 -0.02 -3.76 11.12 0.00 -1.26 -5.10 120.51 126.41 2h3a n ALA 66 Ca 0.09 -1.25 -0.36 0.00 0.00 0.00 0.00 53.44 51.91 2h3a n ALA 66 Cb 0.58 -1.17 -0.11 0.00 0.00 0.00 0.00 19.45 18.75 2h3a n ALA 66 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2h3a s ASP 67 N -1.11 5.27 0.11 0.00 1.11 -1.26 -5.05 116.67 115.75 2h3a s ASP 67 Ca 0.21 -2.13 -0.26 0.00 0.18 0.00 0.00 52.55 50.55 2h3a s ASP 67 Cb 0.33 -1.84 0.08 0.00 1.07 0.00 0.00 42.92 42.56 2h3a s ASP 67 CO -0.08 -0.53 1.08 -0.70 1.18 0.00 0.00 175.17 176.13 2h3a s GLU 68 N 1.00 1.00 0.00 8.23 -6.30 -1.26 -5.19 118.70 116.18 2h3a s GLU 68 Ca 0.09 -0.59 0.00 0.00 -2.50 0.00 0.00 54.97 51.97 2h3a s GLU 68 Cb -0.23 0.32 0.00 0.00 0.00 0.00 0.00 34.13 34.22 2h3a s GLU 68 CO -0.04 -0.46 0.00 0.27 0.02 0.00 0.00 175.26 175.05 2h3a n ASN 69 N -0.73 1.36 0.00 -1.70 6.94 -1.26 -5.08 115.26 114.79 2h3a n ASN 69 Ca -0.05 -0.49 0.00 0.00 -0.02 0.00 0.00 54.58 54.02 2h3a n ASN 69 Cb 0.61 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 38.03 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 -0.16 0.00 -0.89 -3.83 0.00 -1.26 -5.15 118.16 106.88 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 -0.08 0.00 0.00 0.00 0.00 0.00 35.03 34.95 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 -1.92 -1.95 0.00 3.14 2.03 -1.26 -5.40 116.55 111.20 2h3a n ASP 71 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 2h3a n ASP 71 Cb 0.00 -0.98 0.00 0.00 -0.72 0.00 0.00 41.12 39.42 2h3a n ASP 71 CO 0.00 0.00 0.00 1.87 -1.92 0.00 0.00 177.20 177.15