#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a76 s VAL 3 N 0.00 4.57 -1.08 1.61 1.01 -1.26 -4.93 120.40 120.32 1a76 s VAL 3 Ca 0.00 1.85 -0.10 0.00 0.00 0.00 0.00 61.98 63.73 1a76 s VAL 3 Cb 0.00 -4.18 -0.07 0.00 0.00 0.00 0.00 36.38 32.13 1a76 s VAL 3 CO 0.00 0.15 2.26 0.00 0.00 0.00 0.00 175.10 177.51 1a76 n GLN 4 N 3.89 2.38 0.10 2.72 1.13 -1.26 -4.55 117.38 121.78 1a76 n GLN 4 Ca 0.07 -1.75 -0.05 0.00 -1.94 0.00 0.00 57.00 53.33 1a76 n GLN 4 Cb 0.49 -2.65 0.02 0.00 0.11 0.00 0.00 30.24 28.21 1a76 n GLN 4 CO 0.00 0.00 0.00 0.74 -1.44 0.00 0.00 177.06 176.36 1a76 h PHE 5 N 6.28 0.07 0.00 1.08 0.04 -1.99 -3.42 116.94 119.00 1a76 h PHE 5 Ca 0.57 -0.04 0.00 0.00 2.80 0.00 0.00 57.97 61.30 1a76 h PHE 5 Cb 0.30 -0.01 0.00 0.00 2.20 0.00 0.00 35.95 38.44 1a76 h PHE 5 CO 1.80 0.84 0.00 0.41 -0.60 0.00 0.00 178.31 180.76 1a76 n GLY 6 N 0.80 0.00 0.00 -1.45 0.00 -1.26 0.10 105.19 103.38 1a76 n GLY 6 Ca -0.01 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.02 1a76 n GLY 6 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1a76 n ASP 7 N -0.29 0.00 -0.12 1.61 -0.08 -1.26 -3.16 116.55 113.24 1a76 n ASP 7 Ca 0.00 0.45 0.04 0.00 -1.51 0.00 0.00 54.79 53.77 1a76 n ASP 7 Cb 0.00 -0.46 -0.02 0.00 2.34 0.00 0.00 41.12 42.98 1a76 n ASP 7 CO 0.00 0.00 0.00 0.49 0.12 0.00 0.00 177.20 177.81 1a76 n PHE 8 N -1.46 0.00 -4.36 -0.67 3.72 0.28 -5.02 117.46 109.95 1a76 n PHE 8 Ca 0.01 0.00 -0.27 0.00 -0.05 0.00 0.00 57.45 57.14 1a76 n PHE 8 Cb 0.03 0.00 -0.13 0.00 -0.94 0.00 0.00 39.48 38.44 1a76 n PHE 8 CO 0.00 0.00 0.00 0.96 -0.05 0.00 0.00 176.76 177.67 1a76 s ILE 9 N -1.42 2.11 0.41 4.37 -4.36 -1.08 -5.06 121.20 116.17 1a76 s ILE 9 Ca 0.06 -1.74 -0.26 0.00 -0.26 0.00 0.00 60.65 58.45 1a76 s ILE 9 Cb 0.07 -1.89 -0.09 0.00 1.25 0.00 0.00 42.46 41.80 1a76 s ILE 9 CO 0.26 0.01 1.29 -2.16 0.24 0.00 0.00 174.94 174.57 1a76 s PRO 10 N -2.12 3.97 0.17 0.37 0.04 -1.26 -4.93 135.00 131.23 1a76 s PRO 10 Ca 0.13 2.12 -0.23 0.00 0.04 0.00 0.00 61.00 63.06 1a76 s PRO 10 Cb -0.10 -2.74 0.06 0.00 0.04 0.00 0.00 34.50 31.77 1a76 s PRO 10 CO 0.06 -0.48 0.63 -1.59 0.04 0.00 0.00 177.00 175.66 1a76 s LYS 11 N -2.25 1.34 -0.01 4.56 0.00 -1.26 -4.67 119.74 117.45 1a76 s LYS 11 Ca 0.57 -0.54 -0.02 0.00 0.00 0.00 0.00 55.97 55.98 1a76 s LYS 11 Cb -0.37 0.59 -0.00 0.00 0.00 0.00 0.00 37.83 38.04 1a76 s LYS 11 CO 0.48 -0.59 0.04 -0.80 0.00 0.00 0.00 175.35 174.48 1a76 s ASN 12 N -2.77 0.04 0.27 0.03 0.01 -0.41 -4.99 114.94 107.13 1a76 s ASN 12 Ca 0.03 -0.12 -0.29 0.00 -0.71 0.00 0.00 52.86 51.77 1a76 s ASN 12 Cb -0.02 0.13 -0.09 0.00 0.41 0.00 0.00 41.25 41.67 1a76 s ASN 12 CO -0.10 -0.16 1.20 -0.63 -1.51 0.00 0.00 177.10 175.90 1a76 s ILE 13 N -0.63 3.24 -0.01 0.60 1.01 -1.26 -0.27 121.20 123.88 1a76 s ILE 13 Ca -0.07 1.19 0.04 0.00 0.00 0.00 0.00 60.65 61.81 1a76 s ILE 13 Cb -0.04 -3.76 -0.01 0.00 0.01 0.00 0.00 42.46 38.66 1a76 s ILE 13 CO -0.00 0.26 -0.14 -0.51 0.00 0.00 0.00 174.94 174.55 1a76 s ILE 14 N -0.86 1.13 0.63 2.92 2.07 -0.44 -4.85 121.20 121.81 1a76 s ILE 14 Ca 0.48 -0.64 -0.11 0.00 -1.41 0.00 0.00 60.65 58.97 1a76 s ILE 14 Cb -0.35 -0.95 -0.03 0.00 0.13 0.00 0.00 42.46 41.26 1a76 s ILE 14 CO 0.44 0.30 1.03 -0.94 -1.91 0.00 0.00 174.94 173.86 1a76 s SER 15 N -0.39 6.06 0.44 4.50 1.04 -1.26 -3.85 113.70 120.25 1a76 s SER 15 Ca 0.05 1.48 0.12 0.00 0.48 0.00 0.00 55.95 58.09 1a76 s SER 15 Cb -0.06 -2.48 0.99 0.00 0.10 0.00 0.00 66.02 64.58 1a76 s SER 15 CO -0.00 -0.98 2.02 0.15 0.98 0.00 0.00 173.24 175.40 1a76 h PHE 16 N -0.32 0.14 -0.44 5.02 3.57 -1.99 -2.75 116.94 120.17 1a76 h PHE 16 Ca -0.44 -0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.02 1a76 h PHE 16 Cb 1.19 -0.04 -0.02 0.00 2.79 0.00 0.00 35.95 39.87 1a76 h PHE 16 CO 0.65 0.20 0.16 1.49 -2.23 0.00 0.00 178.31 178.58 1a76 h GLU 17 N 0.14 0.67 0.00 1.11 4.22 -1.96 -2.27 114.58 116.48 1a76 h GLU 17 Ca 0.03 -0.13 0.00 0.00 0.08 0.00 0.00 59.36 59.34 1a76 h GLU 17 Cb 0.20 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.35 1a76 h GLU 17 CO 0.01 0.63 0.00 -0.25 -2.18 0.00 0.00 179.01 177.22 1a76 n ASP 18 N -4.59 0.00 -0.23 1.04 8.00 -1.04 -1.44 116.55 118.29 1a76 n ASP 18 Ca 0.00 -0.64 0.10 0.00 0.71 0.00 0.00 54.79 54.96 1a76 n ASP 18 Cb 0.17 -0.02 -0.06 0.00 -0.02 0.00 0.00 41.12 41.19 1a76 n ASP 18 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1a76 n LEU 19 N -1.02 1.44 -4.73 0.64 4.32 -0.87 -4.99 117.00 111.80 1a76 n LEU 19 Ca 0.16 -0.63 -0.42 0.00 -0.02 0.00 0.00 56.01 55.10 1a76 n LEU 19 Cb 0.08 0.00 -0.02 0.00 -1.62 0.00 0.00 43.42 41.86 1a76 n LEU 19 CO 0.13 0.30 1.20 1.17 -1.22 0.00 0.00 177.39 178.97 1a76 n LYS 20 N -0.76 2.58 -0.84 3.23 4.81 -0.52 -2.59 118.16 124.08 1a76 n LYS 20 Ca 0.06 0.92 0.00 0.00 -0.87 0.00 0.00 58.31 58.42 1a76 n LYS 20 Cb 0.37 -2.68 0.00 0.00 0.02 0.00 0.00 35.03 32.74 1a76 n LYS 20 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1a76 n GLY 21 N 2.19 0.87 3.88 3.14 0.00 0.06 -4.98 105.19 110.34 1a76 n GLY 21 Ca 0.09 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.80 1a76 n GLY 21 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1a76 s LYS 22 N -0.16 3.78 -0.09 1.61 -0.14 -1.07 -4.89 119.74 118.79 1a76 s LYS 22 Ca 0.00 0.27 -0.05 0.00 -1.36 0.00 0.00 55.97 54.83 1a76 s LYS 22 Cb 0.00 -2.60 -0.04 0.00 -1.68 0.00 0.00 37.83 33.51 1a76 s LYS 22 CO 0.00 0.25 0.14 0.15 -0.76 0.00 0.00 175.35 175.13 1a76 s LYS 23 N -3.08 3.39 0.02 1.68 1.02 -1.26 -1.40 119.74 120.11 1a76 s LYS 23 Ca 0.48 -0.21 0.00 0.00 0.02 0.00 0.00 55.97 56.26 1a76 s LYS 23 Cb -0.11 -3.13 -0.02 0.00 -0.52 0.00 0.00 37.83 34.06 1a76 s LYS 23 CO 0.24 0.74 -0.03 0.14 -0.92 0.00 0.00 175.35 175.52 1a76 s VAL 24 N -1.10 0.15 -0.28 3.17 -7.23 -0.40 -0.33 120.40 114.38 1a76 s VAL 24 Ca 0.18 -0.83 -0.10 0.00 -1.81 0.00 0.00 61.98 59.42 1a76 s VAL 24 Cb -0.12 -0.27 -0.03 0.00 0.56 0.00 0.00 36.38 36.51 1a76 s VAL 24 CO 0.08 -0.43 0.14 0.00 -0.31 0.00 0.00 175.10 174.58 1a76 s ALA 25 N -1.29 3.36 -0.13 1.32 0.00 -0.29 -1.26 121.76 123.46 1a76 s ALA 25 Ca -0.14 -1.17 -0.20 0.00 0.00 0.00 0.00 51.96 50.45 1a76 s ALA 25 Cb -0.09 -2.33 -0.04 0.00 0.00 0.00 0.00 23.12 20.66 1a76 s ALA 25 CO -0.01 -0.61 0.56 0.42 0.00 0.00 0.00 175.76 176.12 1a76 s ILE 26 N 1.68 5.12 -0.72 0.00 1.01 0.41 -0.77 121.20 127.94 1a76 s ILE 26 Ca 0.06 1.10 -0.26 0.00 0.00 0.00 0.00 60.65 61.56 1a76 s ILE 26 Cb -0.16 -3.89 -0.01 0.00 0.01 0.00 0.00 42.46 38.41 1a76 s ILE 26 CO 0.08 0.25 1.75 -0.62 0.00 0.00 0.00 174.94 176.40 1a76 s ASP 27 N 0.83 5.48 0.14 3.58 -1.08 -0.30 -1.10 116.67 124.22 1a76 s ASP 27 Ca 0.29 -0.11 -0.26 0.00 -0.52 0.00 0.00 52.55 51.95 1a76 s ASP 27 Cb -0.16 -2.54 -0.02 0.00 -1.46 0.00 0.00 42.92 38.74 1a76 s ASP 27 CO 0.12 -2.30 1.61 1.23 0.52 0.00 0.00 175.17 176.35 1a76 h GLY 28 N 15.88 -0.44 1.36 2.66 0.00 -1.05 -0.82 103.07 120.65 1a76 h GLY 28 Ca -0.17 0.40 -0.07 0.00 0.00 0.00 0.00 47.33 47.49 1a76 h GLY 28 CO 1.24 -0.22 -0.00 -0.33 0.00 0.00 0.00 176.54 177.23 1a76 h MET 29 N -0.39 0.78 -0.71 4.80 2.86 -1.90 -0.17 114.93 120.21 1a76 h MET 29 Ca 0.10 -0.21 -0.03 0.00 -2.06 0.00 0.00 59.70 57.50 1a76 h MET 29 Cb 0.55 -0.09 -0.03 0.00 0.06 0.00 0.00 31.60 32.09 1a76 h MET 29 CO -0.37 0.79 0.33 -0.97 1.06 0.00 0.00 176.91 177.74 1a76 h ASN 30 N 0.72 0.94 -0.27 1.22 -0.73 -1.87 -1.77 115.58 113.83 1a76 h ASN 30 Ca 0.14 -0.14 -0.02 0.00 1.87 0.00 0.00 56.30 58.15 1a76 h ASN 30 Cb 0.45 -0.24 -0.01 0.00 0.27 0.00 0.00 38.32 38.79 1a76 h ASN 30 CO 0.02 0.82 0.09 0.00 -0.37 0.00 0.00 177.43 177.99 1a76 h ALA 31 N 1.16 0.35 -0.47 1.57 0.00 -0.59 -1.90 119.26 119.38 1a76 h ALA 31 Ca 0.24 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 55.02 1a76 h ALA 31 Cb 0.14 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 1a76 h ALA 31 CO -0.03 -0.03 0.30 -0.07 0.00 0.00 0.00 179.25 179.42 1a76 h LEU 32 N 0.27 0.50 -0.76 0.00 4.07 -0.81 -0.40 115.31 118.18 1a76 h LEU 32 Ca 0.09 -0.01 -0.05 0.00 0.08 0.00 0.00 57.88 57.99 1a76 h LEU 32 Cb 0.22 -0.12 -0.03 0.00 1.08 0.00 0.00 40.66 41.81 1a76 h LEU 32 CO -0.00 0.36 0.30 1.88 -1.08 0.00 0.00 178.44 179.89 1a76 h TYR 33 N 0.61 1.16 -0.56 1.13 0.05 -1.30 -1.83 116.97 116.23 1a76 h TYR 33 Ca 0.18 -0.09 0.01 0.00 0.05 0.00 0.00 58.73 58.87 1a76 h TYR 33 Cb -0.04 -0.35 -0.03 0.00 1.01 0.00 0.00 36.73 37.33 1a76 h TYR 33 CO -0.05 0.89 0.37 0.37 -1.05 0.00 0.00 178.16 178.69 1a76 h GLN 34 N 1.10 0.73 -0.70 4.88 5.75 -0.77 -1.77 115.11 124.33 1a76 h GLN 34 Ca 0.25 -0.04 -0.04 0.00 -0.15 0.00 0.00 58.65 58.67 1a76 h GLN 34 Cb 0.23 -0.16 -0.03 0.00 1.07 0.00 0.00 27.48 28.58 1a76 h GLN 34 CO -0.02 0.48 0.28 0.74 -2.65 0.00 0.00 178.83 177.66 1a76 h PHE 35 N 0.75 1.07 -0.67 3.99 0.04 -0.83 -1.20 116.94 120.10 1a76 h PHE 35 Ca 0.21 -0.08 -0.03 0.00 2.80 0.00 0.00 57.97 60.86 1a76 h PHE 35 Cb -0.08 -0.32 -0.03 0.00 2.20 0.00 0.00 35.95 37.72 1a76 h PHE 35 CO -0.04 0.83 0.28 -0.07 -0.60 0.00 0.00 178.31 178.72 1a76 h LEU 36 N 1.00 0.89 0.00 1.54 3.38 -0.90 0.19 115.31 121.41 1a76 h LEU 36 Ca 0.23 -0.11 -0.12 0.00 0.09 0.00 0.00 57.88 57.97 1a76 h LEU 36 Cb 0.22 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 1a76 h LEU 36 CO -0.02 0.78 -1.08 0.71 0.09 0.00 0.00 178.44 178.92 1a76 h THR 37 N 0.96 0.48 0.00 0.22 1.35 -1.10 -3.40 112.91 111.41 1a76 h THR 37 Ca 0.23 -1.84 0.00 0.00 -0.55 0.00 0.00 66.41 64.25 1a76 h THR 37 Cb 0.16 2.03 0.00 0.00 -1.73 0.00 0.00 68.15 68.61 1a76 h THR 37 CO -0.02 0.27 -1.69 -1.54 -0.25 0.00 0.00 175.52 172.28 1a76 n SER 38 N -2.94 1.48 -4.35 5.36 3.41 -0.47 -4.80 113.62 111.31 1a76 n SER 38 Ca -0.05 -0.01 -0.46 0.00 -0.26 0.00 0.00 58.87 58.09 1a76 n SER 38 Cb 0.75 1.70 -0.02 0.00 -0.26 0.00 0.00 64.21 66.38 1a76 n SER 38 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1a76 s ILE 39 N -3.06 5.43 0.30 -1.33 1.01 0.66 -5.00 121.20 119.20 1a76 s ILE 39 Ca -0.06 -2.21 0.04 0.00 0.00 0.00 0.00 60.65 58.42 1a76 s ILE 39 Cb 0.10 -4.51 -0.03 0.00 0.01 0.00 0.00 42.46 38.03 1a76 s ILE 39 CO 0.64 -1.09 0.21 -0.13 0.00 0.00 0.00 174.94 174.57 1a76 s ARG 40 N 0.73 1.60 1.11 2.79 0.52 -1.26 -3.92 118.95 120.53 1a76 s ARG 40 Ca 0.19 -1.91 -0.18 0.00 -0.52 0.00 0.00 55.73 53.30 1a76 s ARG 40 Cb -0.11 0.20 0.26 0.00 0.52 0.00 0.00 34.95 35.81 1a76 s ARG 40 CO -0.08 -0.54 1.20 -0.51 0.02 0.00 0.00 175.30 175.39 1a76 s LEU 41 N -3.33 1.49 0.33 2.53 1.02 0.34 -4.85 118.68 116.20 1a76 s LEU 41 Ca 0.39 0.46 0.05 0.00 0.02 0.00 0.00 54.13 55.04 1a76 s LEU 41 Cb 0.04 -2.29 0.69 0.00 0.02 0.00 0.00 46.19 44.64 1a76 s LEU 41 CO 0.21 -3.61 1.88 -0.09 0.02 0.00 0.00 176.35 174.77 1a76 h ARG 42 N -2.23 0.82 -0.48 1.70 2.43 -1.99 -1.34 114.38 113.27 1a76 h ARG 42 Ca -0.44 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 58.68 1a76 h ARG 42 Cb 1.27 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 30.63 1a76 h ARG 42 CO 0.34 0.54 0.00 -0.40 -1.51 0.00 0.00 179.97 178.94 1a76 n ASP 43 N -4.56 2.03 -0.05 -3.80 5.68 -1.26 -4.87 116.55 109.72 1a76 n ASP 43 Ca 0.16 -2.13 -0.01 0.00 -0.50 0.00 0.00 54.79 52.32 1a76 n ASP 43 Cb 0.37 -0.33 -0.00 0.00 -1.14 0.00 0.00 41.12 40.02 1a76 n ASP 43 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1a76 n GLY 44 N 0.72 0.47 3.82 6.12 0.00 -0.51 -5.02 105.19 110.80 1a76 n GLY 44 Ca 0.10 -0.25 -0.36 0.00 0.00 0.00 0.00 46.02 45.51 1a76 n GLY 44 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1a76 s SER 45 N -2.25 6.98 0.81 1.61 1.04 -1.26 -4.76 113.70 115.87 1a76 s SER 45 Ca 0.00 1.25 -0.13 0.00 0.48 0.00 0.00 55.95 57.55 1a76 s SER 45 Cb 0.00 -2.35 0.09 0.00 0.10 0.00 0.00 66.02 63.85 1a76 s SER 45 CO 0.00 0.13 1.20 -2.16 0.98 0.00 0.00 173.24 173.39 1a76 s PRO 46 N -1.73 1.61 0.21 4.02 0.04 -1.26 0.12 135.00 138.01 1a76 s PRO 46 Ca 0.37 1.74 -0.30 0.00 0.04 0.00 0.00 61.00 62.85 1a76 s PRO 46 Cb -0.17 -1.77 -0.08 0.00 0.04 0.00 0.00 34.50 32.51 1a76 s PRO 46 CO 0.20 -2.23 1.21 -1.17 0.04 0.00 0.00 177.00 175.04 1a76 s LEU 47 N -5.76 4.46 0.04 -3.56 2.96 -1.25 -4.53 118.68 111.03 1a76 s LEU 47 Ca 0.73 2.29 -0.03 0.00 -0.22 0.00 0.00 54.13 56.89 1a76 s LEU 47 Cb -0.28 -3.61 -0.02 0.00 0.50 0.00 0.00 46.19 42.78 1a76 s LEU 47 CO 0.51 -0.38 0.03 -0.13 -1.32 0.00 0.00 176.35 175.06 1a76 s ARG 48 N -0.46 0.52 0.69 1.98 0.52 -1.26 -0.10 118.95 120.85 1a76 s ARG 48 Ca 0.52 -0.85 -0.06 0.00 -0.52 0.00 0.00 55.73 54.83 1a76 s ARG 48 Cb -0.33 0.19 0.15 0.00 0.52 0.00 0.00 34.95 35.48 1a76 s ARG 48 CO 0.38 -0.11 0.94 0.27 0.02 0.00 0.00 175.30 176.81 1a76 n ASN 49 N 0.80 0.71 0.00 0.23 2.04 -0.25 -4.85 115.26 113.93 1a76 n ASN 49 Ca -0.19 -1.73 0.04 0.00 -0.44 0.00 0.00 54.58 52.26 1a76 n ASN 49 Cb 0.58 -0.66 0.19 0.00 -2.53 0.00 0.00 39.78 37.36 1a76 n ASN 49 CO 0.00 0.00 0.00 0.54 -0.44 0.00 0.00 177.26 177.36 1a76 n ARG 50 N -2.87 0.07 -0.12 -3.83 5.12 -1.26 -0.97 116.66 112.79 1a76 n ARG 50 Ca 0.14 0.28 0.11 0.00 -1.93 0.00 0.00 57.85 56.44 1a76 n ARG 50 Cb 0.49 -1.50 0.17 0.00 -1.16 0.00 0.00 32.46 30.45 1a76 n ARG 50 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 1a76 n LYS 51 N -1.38 2.28 -0.93 5.56 4.76 -1.26 -4.95 118.16 122.24 1a76 n LYS 51 Ca 0.03 -2.07 0.00 0.00 -2.87 0.00 0.00 58.31 53.40 1a76 n LYS 51 Cb 0.08 -1.45 0.00 0.00 -1.84 0.00 0.00 35.03 31.81 1a76 n LYS 51 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1a76 n GLY 52 N 1.31 0.56 3.79 0.72 0.00 -0.15 -5.03 105.19 106.39 1a76 n GLY 52 Ca 0.16 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.79 1a76 n GLY 52 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1a76 s GLU 53 N -0.07 4.46 -0.04 1.61 2.02 -1.26 -4.80 118.70 120.63 1a76 s GLU 53 Ca 0.00 1.04 -0.30 0.00 0.02 0.00 0.00 54.97 55.73 1a76 s GLU 53 Cb 0.00 -3.22 -0.05 0.00 0.10 0.00 0.00 34.13 30.96 1a76 s GLU 53 CO 0.00 0.57 1.37 0.42 0.02 0.00 0.00 175.26 177.64 1a76 s ILE 54 N -1.17 3.87 -1.09 -1.63 1.01 -1.26 -1.09 121.20 119.83 1a76 s ILE 54 Ca 0.35 1.20 0.10 0.00 0.00 0.00 0.00 60.65 62.30 1a76 s ILE 54 Cb -0.22 -3.77 0.13 0.00 0.01 0.00 0.00 42.46 38.61 1a76 s ILE 54 CO 0.24 -0.02 0.93 0.35 0.00 0.00 0.00 174.94 176.43 1a76 n THR 55 N 4.82 0.29 -0.28 2.92 -2.24 0.86 -4.72 114.28 115.93 1a76 n THR 55 Ca 0.13 -0.64 0.06 0.00 -2.27 0.00 0.00 64.05 61.33 1a76 n THR 55 Cb 0.44 1.00 0.17 0.00 -2.10 0.00 0.00 70.33 69.84 1a76 n THR 55 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1a76 h SER 56 N 1.85 -0.42 -0.47 3.42 0.02 -1.84 -1.88 113.55 114.23 1a76 h SER 56 Ca 0.00 0.22 -0.09 0.00 -0.84 0.00 0.00 61.79 61.08 1a76 h SER 56 Cb 0.49 0.39 -0.02 0.00 0.14 0.00 0.00 62.40 63.40 1a76 h SER 56 CO 0.00 -0.22 -0.07 0.00 -1.14 0.00 0.00 176.83 175.41 1a76 h ALA 57 N 1.77 0.64 -0.65 3.77 0.00 -1.85 -2.79 119.26 120.15 1a76 h ALA 57 Ca 0.44 -0.31 -0.04 0.00 0.00 0.00 0.00 54.91 55.00 1a76 h ALA 57 Cb 0.79 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.38 1a76 h ALA 57 CO -0.73 0.50 0.26 1.88 0.00 0.00 0.00 179.25 181.16 1a76 h TYR 58 N 0.71 0.96 -0.31 0.00 0.05 -1.71 -1.16 116.97 115.51 1a76 h TYR 58 Ca 0.12 -0.06 -0.01 0.00 0.05 0.00 0.00 58.73 58.84 1a76 h TYR 58 Cb 0.60 -0.29 -0.01 0.00 1.01 0.00 0.00 36.73 38.03 1a76 h TYR 58 CO 0.05 0.74 0.16 -0.97 -1.05 0.00 0.00 178.16 177.08 1a76 h ASN 59 N 0.94 0.40 -0.40 3.88 -0.73 -1.25 -1.78 115.58 116.64 1a76 h ASN 59 Ca 0.22 -0.11 -0.13 0.00 1.87 0.00 0.00 56.30 58.14 1a76 h ASN 59 Cb 0.18 -0.10 -0.01 0.00 0.27 0.00 0.00 38.32 38.65 1a76 h ASN 59 CO -0.02 0.40 -0.28 1.23 -0.37 0.00 0.00 177.43 178.40 1a76 h GLY 60 N 0.37 0.97 0.76 1.57 0.00 -1.25 -2.05 103.07 103.44 1a76 h GLY 60 Ca 0.11 -0.92 0.03 0.00 0.00 0.00 0.00 47.33 46.54 1a76 h GLY 60 CO -0.01 0.84 0.02 -2.08 0.00 0.00 0.00 176.54 175.30 1a76 h VAL 61 N 0.70 0.90 0.25 4.60 2.07 -1.11 0.81 116.25 124.47 1a76 h VAL 61 Ca 0.08 -0.03 -0.01 0.00 0.82 0.00 0.00 66.70 67.56 1a76 h VAL 61 Cb 0.85 0.81 0.00 0.00 -1.52 0.00 0.00 31.29 31.44 1a76 h VAL 61 CO 0.07 0.01 -0.12 0.15 0.02 0.00 0.00 177.57 177.71 1a76 h PHE 62 N 0.08 -0.31 -0.68 1.57 3.57 -1.32 -2.76 116.94 117.09 1a76 h PHE 62 Ca 0.08 -0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.50 1a76 h PHE 62 Cb 0.09 0.10 -0.03 0.00 2.79 0.00 0.00 35.95 38.90 1a76 h PHE 62 CO -0.15 -0.19 0.14 1.88 -2.23 0.00 0.00 178.31 177.76 1a76 h TYR 63 N -0.45 1.17 -0.38 0.41 0.05 -1.45 -2.37 116.97 113.94 1a76 h TYR 63 Ca -0.03 -0.15 -0.06 0.00 0.05 0.00 0.00 58.73 58.53 1a76 h TYR 63 Cb 0.25 -0.32 -0.01 0.00 1.01 0.00 0.00 36.73 37.66 1a76 h TYR 63 CO 0.10 0.96 -0.00 -0.22 -1.05 0.00 0.00 178.16 177.95 1a76 h LYS 64 N 1.03 0.68 -0.71 4.88 1.63 -0.99 -0.55 116.57 122.54 1a76 h LYS 64 Ca 0.21 -0.22 -0.03 0.00 -0.85 0.00 0.00 60.65 59.76 1a76 h LYS 64 Cb 0.40 -0.06 -0.03 0.00 -0.60 0.00 0.00 32.23 31.94 1a76 h LYS 64 CO 0.01 0.78 0.33 1.15 -3.45 0.00 0.00 179.45 178.27 1a76 h THR 65 N 0.50 1.24 -0.49 1.00 2.02 -1.44 -1.98 112.91 113.76 1a76 h THR 65 Ca 0.11 -0.68 -0.12 0.00 0.77 0.00 0.00 66.41 66.49 1a76 h THR 65 Cb 0.47 0.36 -0.01 0.00 -1.74 0.00 0.00 68.15 67.23 1a76 h THR 65 CO 0.02 0.28 -0.18 0.40 0.37 0.00 0.00 175.52 176.41 1a76 h ILE 66 N 1.00 1.27 -0.80 3.11 2.04 -1.32 -1.97 117.51 120.84 1a76 h ILE 66 Ca 0.24 -1.34 0.08 0.00 1.00 0.00 0.00 64.86 64.84 1a76 h ILE 66 Cb 0.13 1.08 -0.07 0.00 -0.74 0.00 0.00 36.82 37.23 1a76 h ILE 66 CO -0.03 0.46 0.46 -0.74 0.00 0.00 0.00 178.15 178.31 1a76 h HIS 67 N 0.85 0.84 -0.22 1.37 2.76 -0.77 -0.08 115.15 119.90 1a76 h HIS 67 Ca 0.12 0.03 -0.04 0.00 -2.20 0.00 0.00 60.37 58.28 1a76 h HIS 67 Cb 0.75 -0.26 -0.01 0.00 1.55 0.00 0.00 27.41 29.44 1a76 h HIS 67 CO 0.05 0.37 -0.00 -0.07 -1.30 0.00 0.00 177.93 176.98 1a76 h LEU 68 N 0.81 0.38 -1.54 0.26 4.07 -1.14 -3.11 115.31 115.03 1a76 h LEU 68 Ca 0.37 -0.31 -0.05 0.00 0.08 0.00 0.00 57.88 57.97 1a76 h LEU 68 Cb 0.29 -0.10 -0.01 0.00 1.08 0.00 0.00 40.66 41.92 1a76 h LEU 68 CO -0.22 0.60 -0.24 -0.07 -1.08 0.00 0.00 178.44 177.43 1a76 h LEU 69 N 0.15 0.00 -1.76 1.67 3.38 -0.67 -0.94 115.31 117.13 1a76 h LEU 69 Ca 0.06 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 1a76 h LEU 69 Cb 0.41 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.16 1a76 h LEU 69 CO 0.01 0.24 -0.06 -0.33 0.09 0.00 0.00 178.44 178.40 1a76 h GLU 70 N 0.00 0.00 -0.62 1.13 5.08 -0.97 -2.22 114.58 116.99 1a76 h GLU 70 Ca -0.00 0.00 -0.27 0.00 -1.00 0.00 0.00 59.36 58.08 1a76 h GLU 70 Cb 0.48 0.00 -0.16 0.00 0.50 0.00 0.00 28.75 29.57 1a76 h GLU 70 CO 0.03 0.06 0.23 -1.71 -1.00 0.00 0.00 179.01 176.61 1a76 n ASN 71 N -3.23 3.48 -2.38 1.42 5.15 -0.59 -4.93 115.26 114.18 1a76 n ASN 71 Ca -0.01 -3.54 -0.15 0.00 -0.60 0.00 0.00 54.58 50.29 1a76 n ASN 71 Cb 0.27 -0.71 -0.01 0.00 -0.53 0.00 0.00 39.78 38.80 1a76 n ASN 71 CO 0.00 0.00 0.00 -0.67 1.40 0.00 0.00 177.26 177.99 1a76 n ASP 72 N -0.88 -4.55 -4.47 1.20 2.03 -0.83 -3.75 116.55 105.29 1a76 n ASP 72 Ca 0.42 0.14 -0.41 0.00 0.52 0.00 0.00 54.79 55.45 1a76 n ASP 72 Cb 1.29 -3.85 -0.11 0.00 -0.72 0.00 0.00 41.12 37.73 1a76 n ASP 72 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 1a76 s ILE 73 N -2.74 5.07 -0.44 5.18 1.01 -0.46 -0.77 121.20 128.06 1a76 s ILE 73 Ca 0.00 -0.51 -0.20 0.00 0.00 0.00 0.00 60.65 59.94 1a76 s ILE 73 Cb 0.00 -3.72 0.03 0.00 0.01 0.00 0.00 42.46 38.78 1a76 s ILE 73 CO 0.00 -0.15 0.58 -0.89 0.00 0.00 0.00 174.94 174.49 1a76 s THR 74 N 1.67 4.90 0.16 2.92 2.01 -0.49 -3.31 115.64 123.50 1a76 s THR 74 Ca 0.05 -0.06 0.01 0.00 0.31 0.00 0.00 61.69 61.99 1a76 s THR 74 Cb -0.18 -4.16 -0.04 0.00 0.01 0.00 0.00 72.50 68.12 1a76 s THR 74 CO 0.09 -0.56 0.32 -2.16 -0.69 0.00 0.00 174.62 171.63 1a76 s PRO 75 N 2.61 3.48 -0.08 4.92 0.04 -1.26 -1.27 135.00 143.43 1a76 s PRO 75 Ca 0.19 -0.46 0.01 0.00 0.04 0.00 0.00 61.00 60.78 1a76 s PRO 75 Cb -0.15 -2.92 0.02 0.00 0.04 0.00 0.00 34.50 31.49 1a76 s PRO 75 CO 0.17 0.48 -0.09 -1.50 0.04 0.00 0.00 177.00 176.10 1a76 s ILE 76 N -1.77 0.97 0.03 0.56 2.07 -0.39 -4.62 121.20 118.06 1a76 s ILE 76 Ca 0.36 -0.32 -0.24 0.00 -1.41 0.00 0.00 60.65 59.04 1a76 s ILE 76 Cb -0.11 -0.95 -0.05 0.00 0.13 0.00 0.00 42.46 41.48 1a76 s ILE 76 CO 0.29 0.34 0.75 0.26 -1.91 0.00 0.00 174.94 174.66 1a76 s TRP 77 N 1.18 3.72 -0.19 3.50 0.52 -0.44 -0.44 118.94 126.79 1a76 s TRP 77 Ca -0.05 1.44 -0.00 0.00 0.02 0.00 0.00 56.10 57.50 1a76 s TRP 77 Cb -0.14 -2.80 0.01 0.00 -1.15 0.00 0.00 33.47 29.39 1a76 s TRP 77 CO -0.02 0.27 -0.16 0.08 0.02 0.00 0.00 176.95 177.14 1a76 s VAL 78 N -0.01 2.38 0.30 4.03 1.01 -0.26 0.52 120.40 128.37 1a76 s VAL 78 Ca 0.38 -0.83 0.07 0.00 0.00 0.00 0.00 61.98 61.60 1a76 s VAL 78 Cb -0.20 -2.02 -0.03 0.00 0.00 0.00 0.00 36.38 34.12 1a76 s VAL 78 CO 0.22 0.51 0.24 -0.36 0.00 0.00 0.00 175.10 175.71 1a76 s PHE 79 N 1.32 2.98 0.21 5.22 0.08 0.11 -0.41 117.98 127.50 1a76 s PHE 79 Ca 0.05 -0.22 0.10 0.00 0.12 0.00 0.00 56.93 56.98 1a76 s PHE 79 Cb -0.13 -1.60 0.16 0.00 -0.57 0.00 0.00 43.02 40.87 1a76 s PHE 79 CO -0.10 0.35 1.50 -0.44 -0.10 0.00 0.00 175.22 176.42 1a76 h ASP 80 N 1.38 0.00 -3.70 1.36 3.32 -1.85 -0.20 116.42 116.72 1a76 h ASP 80 Ca -0.46 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.58 1a76 h ASP 80 Cb 1.25 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.80 1a76 h ASP 80 CO 0.60 0.75 -0.03 0.61 -1.72 0.00 0.00 179.24 179.44 1a76 n GLY 81 N 0.65 -0.49 0.27 2.75 0.00 -1.26 -4.04 105.19 103.07 1a76 n GLY 81 Ca -0.01 -0.01 0.01 0.00 0.00 0.00 0.00 46.02 46.01 1a76 n GLY 81 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1a76 h GLU 82 N 0.09 0.61 -4.08 1.61 3.07 -1.92 -3.46 114.58 110.49 1a76 h GLU 82 Ca -0.02 -0.04 -0.43 0.00 -0.50 0.00 0.00 59.36 58.38 1a76 h GLU 82 Cb 1.01 -0.14 0.10 0.00 -0.84 0.00 0.00 28.75 28.88 1a76 h GLU 82 CO 0.09 0.40 -0.59 -2.30 -1.40 0.00 0.00 179.01 175.21 1a76 n PRO 83 N -4.84 0.00 0.00 2.33 -0.02 -1.26 -4.83 135.00 126.37 1a76 n PRO 83 Ca 0.10 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.58 1a76 n PRO 83 Cb 0.25 -0.68 0.00 0.00 -0.02 0.00 0.00 33.50 33.05 1a76 n PRO 83 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1a76 n PRO 84 N 0.87 0.00 -1.39 0.52 -0.02 -1.26 -4.39 135.00 129.32 1a76 n PRO 84 Ca 0.09 0.00 -0.46 0.00 -2.02 0.00 0.00 63.50 61.10 1a76 n PRO 84 Cb 0.25 0.00 -0.02 0.00 -0.02 0.00 0.00 33.50 33.71 1a76 n PRO 84 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 1a76 n LYS 85 N 0.00 0.12 -0.01 -0.52 0.00 -1.26 -4.79 118.16 111.70 1a76 n LYS 85 Ca 0.00 0.04 0.00 0.00 0.00 0.00 0.00 58.31 58.35 1a76 n LYS 85 Cb 0.00 -1.08 0.00 0.00 0.00 0.00 0.00 35.03 33.95 1a76 n LYS 85 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.40 177.29 1a76 n LEU 86 N 1.99 0.00 -4.29 3.14 7.94 -1.26 -4.95 117.00 119.57 1a76 n LEU 86 Ca 0.16 -0.28 -0.57 0.00 -1.11 0.00 0.00 56.01 54.20 1a76 n LEU 86 Cb 0.29 0.00 -0.12 0.00 0.53 0.00 0.00 43.42 44.12 1a76 n LEU 86 CO 0.56 0.40 1.80 0.29 -1.11 0.00 0.00 177.39 179.33 1a76 n LYS 87 N 0.00 0.04 -1.97 1.96 4.01 -1.26 -4.20 118.16 116.73 1a76 n LYS 87 Ca 0.00 0.01 -0.25 0.00 -0.51 0.00 0.00 58.31 57.56 1a76 n LYS 87 Cb 0.28 -1.54 -0.06 0.00 -0.51 0.00 0.00 35.03 33.19 1a76 n LYS 87 CO 0.00 0.00 0.00 -2.00 -1.11 0.00 0.00 177.40 174.29 1a76 s GLU 88 N 6.42 2.30 0.00 1.97 2.12 -1.24 -4.76 118.70 125.52 1a76 s GLU 88 Ca 1.22 -0.67 0.00 0.00 0.36 0.00 0.00 54.97 55.88 1a76 s GLU 88 Cb -1.44 -5.12 0.00 0.00 0.26 0.00 0.00 34.13 27.83 1a76 s GLU 88 CO 0.63 -3.98 0.00 0.36 -0.54 0.00 0.00 175.26 171.73 1a76 n LYS 89 N 8.50 0.00 -0.92 4.30 -0.00 -1.26 0.13 118.16 128.92 1a76 n LYS 89 Ca 0.43 0.00 0.05 0.00 -0.00 0.00 0.00 58.31 58.79 1a76 n LYS 89 Cb 0.46 0.00 0.14 0.00 -0.00 0.00 0.00 35.03 35.64 1a76 n LYS 89 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.40 179.81 1a76 n THR 90 N 0.00 1.48 -3.22 0.58 -1.04 -1.25 -4.90 114.28 105.93 1a76 n THR 90 Ca 0.00 -2.51 -0.24 0.00 -2.04 0.00 0.00 64.05 59.25 1a76 n THR 90 Cb 0.00 0.17 -0.07 0.00 -1.82 0.00 0.00 70.33 68.61 1a76 n THR 90 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1a76 n ARG 91 N -0.58 0.94 0.00 -2.82 1.74 0.35 -4.57 116.66 111.72 1a76 n ARG 91 Ca 0.15 -3.40 0.00 0.00 -0.77 0.00 0.00 57.85 53.83 1a76 n ARG 91 Cb 0.85 -1.34 0.00 0.00 -1.02 0.00 0.00 32.46 30.94 1a76 n ARG 91 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1a76 n LYS 92 N 1.34 0.14 -0.28 5.56 5.02 -1.26 -3.59 118.16 125.08 1a76 n LYS 92 Ca 0.22 0.00 0.03 0.00 -2.02 0.00 0.00 58.31 56.55 1a76 n LYS 92 Cb 0.51 -0.54 0.09 0.00 -0.02 0.00 0.00 35.03 35.08 1a76 n LYS 92 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21 1a76 n VAL 93 N -1.12 -0.33 0.00 -0.18 0.24 -1.26 -4.58 118.33 111.09 1a76 n VAL 93 Ca 0.00 1.74 0.00 0.00 -2.04 0.00 0.00 64.34 64.04 1a76 n VAL 93 Cb 0.04 -2.39 0.00 0.00 -1.47 0.00 0.00 33.84 30.02 1a76 n VAL 93 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1a76 n ARG 94 N -5.21 0.00 -1.46 7.34 1.74 -1.26 -5.17 116.66 112.64 1a76 n ARG 94 Ca 0.11 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.19 1a76 n ARG 94 Cb 0.36 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.80 1a76 n ARG 94 CO 0.00 0.00 0.00 2.89 -1.52 0.00 0.00 177.63 179.00 1a76 n ARG 95 N 0.00 2.29 0.00 5.56 -4.01 -1.26 -4.76 116.66 114.48 1a76 n ARG 95 Ca 0.00 0.00 0.00 0.00 -1.04 0.00 0.00 57.85 56.81 1a76 n ARG 95 Cb 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 32.46 29.42 1a76 n ARG 95 CO 0.00 0.00 0.00 0.39 -3.04 0.00 0.00 177.63 174.98 1a76 n GLU 96 N -0.11 0.00 0.00 2.89 -0.58 -1.26 -4.78 120.64 116.80 1a76 n GLU 96 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 1a76 n GLU 96 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.87 1a76 n GLU 96 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1a76 n MET 97 N 0.00 0.00 0.00 3.49 0.00 -1.26 -5.06 117.12 114.29 1a76 n MET 97 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.70 1a76 n MET 97 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.22 1a76 n MET 97 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 175.97 177.60 1a76 n LYS 98 N -0.34 0.00 0.00 3.17 5.02 -1.26 -4.98 118.16 119.77 1a76 n LYS 98 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1a76 n LYS 98 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 1a76 n LYS 98 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1a76 n GLU 99 N 0.00 0.00 0.00 1.97 1.02 -1.26 -3.83 120.64 118.54 1a76 n GLU 99 Ca 0.00 0.43 0.00 0.00 -0.02 0.00 0.00 57.16 57.57 1a76 n GLU 99 Cb 0.00 -1.56 0.00 0.00 -0.02 0.00 0.00 31.44 29.86 1a76 n GLU 99 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1a76 n LYS 100 N -1.43 0.00 -4.39 3.49 4.76 -1.26 -4.94 118.16 114.40 1a76 n LYS 100 Ca 0.00 0.00 -0.25 0.00 -2.87 0.00 0.00 58.31 55.19 1a76 n LYS 100 Cb 0.06 -0.29 -0.09 0.00 -1.84 0.00 0.00 35.03 32.88 1a76 n LYS 100 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1a76 s ALA 101 N -2.53 3.22 -0.75 7.82 0.00 -1.25 -4.80 121.76 123.48 1a76 s ALA 101 Ca 0.00 -2.08 -0.09 0.00 0.00 0.00 0.00 51.96 49.79 1a76 s ALA 101 Cb 0.00 -0.22 0.09 0.00 0.00 0.00 0.00 23.12 23.00 1a76 s ALA 101 CO 0.00 -0.01 0.24 0.39 0.00 0.00 0.00 175.76 176.38 1a76 n GLU 102 N -0.98 -1.45 -0.11 0.00 1.02 -1.26 -4.77 120.64 113.09 1a76 n GLU 102 Ca -0.04 0.06 0.01 0.00 -0.02 0.00 0.00 57.16 57.17 1a76 n GLU 102 Cb 0.64 -3.13 0.05 0.00 -0.02 0.00 0.00 31.44 28.98 1a76 n GLU 102 CO 0.00 0.00 0.00 1.47 1.18 0.00 0.00 177.13 179.78 1a76 n LEU 103 N -2.40 1.44 -2.14 -4.62 -0.00 -1.26 -4.89 117.00 103.13 1a76 n LEU 103 Ca 0.05 -0.73 -0.01 0.00 -0.00 0.00 0.00 56.01 55.32 1a76 n LEU 103 Cb 0.32 -0.44 0.00 0.00 -0.00 0.00 0.00 43.42 43.30 1a76 n LEU 103 CO 0.38 0.27 -0.18 0.29 -0.00 0.00 0.00 177.39 178.16 1a76 n LYS 104 N 0.03 -1.63 -4.02 1.47 5.02 -1.26 -5.05 118.16 112.73 1a76 n LYS 104 Ca 0.04 1.58 -0.30 0.00 -2.02 0.00 0.00 58.31 57.60 1a76 n LYS 104 Cb 0.32 -3.34 -0.16 0.00 -0.02 0.00 0.00 35.03 31.83 1a76 n LYS 104 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1a76 s MET 105 N -1.10 2.25 0.16 1.97 0.23 -1.26 -5.10 119.30 116.44 1a76 s MET 105 Ca 0.04 -0.67 -0.13 0.00 -1.03 0.00 0.00 55.69 53.89 1a76 s MET 105 Cb -0.01 -2.24 0.05 0.00 -1.53 0.00 0.00 34.83 31.10 1a76 s MET 105 CO 0.40 -0.30 0.64 0.36 -2.03 0.00 0.00 175.02 174.09 1a76 n LYS 106 N 4.73 0.51 -2.97 3.16 -0.00 -1.26 -5.14 118.16 117.19 1a76 n LYS 106 Ca -0.16 -1.10 -0.40 0.00 -0.00 0.00 0.00 58.31 56.65 1a76 n LYS 106 Cb 0.49 1.45 -0.04 0.00 -0.00 0.00 0.00 35.03 36.92 1a76 n LYS 106 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.40 175.40 1a76 s GLU 107 N -2.04 4.41 0.00 -1.58 2.12 -1.26 -4.99 118.70 115.36 1a76 s GLU 107 Ca 0.14 0.97 0.00 0.00 0.36 0.00 0.00 54.97 56.43 1a76 s GLU 107 Cb -0.02 -3.48 0.00 0.00 0.26 0.00 0.00 34.13 30.89 1a76 s GLU 107 CO 0.05 -0.05 0.00 0.00 -0.54 0.00 0.00 175.26 174.72 1a76 n ALA 108 N 4.16 0.00 -2.68 6.30 0.00 -1.26 -5.10 120.51 121.93 1a76 n ALA 108 Ca 0.01 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.40 1a76 n ALA 108 Cb 0.51 0.00 0.06 0.00 0.00 0.00 0.00 19.45 20.02 1a76 n ALA 108 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.50 179.01 1a76 n ILE 109 N -0.06 0.00 -2.16 0.00 0.13 -1.26 -5.03 119.36 110.99 1a76 n ILE 109 Ca 0.00 -0.94 -0.04 0.00 -1.10 0.00 0.00 62.75 60.67 1a76 n ILE 109 Cb 0.00 0.94 0.02 0.00 -0.84 0.00 0.00 39.64 39.76 1a76 n ILE 109 CO 0.00 0.00 0.00 1.17 2.80 0.00 0.00 176.55 180.52 1a76 n LYS 110 N -0.12 0.40 -0.35 9.51 0.00 -1.26 -4.79 118.16 121.55 1a76 n LYS 110 Ca -0.12 -0.46 0.25 0.00 0.00 0.00 0.00 58.31 57.98 1a76 n LYS 110 Cb 0.73 -0.13 0.49 0.00 0.00 0.00 0.00 35.03 36.11 1a76 n LYS 110 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.40 178.97 1a76 h LYS 111 N 0.00 0.31 0.00 1.64 2.10 -2.02 1.20 116.57 119.80 1a76 h LYS 111 Ca -0.06 -0.02 -0.12 0.00 -2.00 0.00 0.00 60.65 58.45 1a76 h LYS 111 Cb 0.21 -0.07 -0.02 0.00 -0.90 0.00 0.00 32.23 31.45 1a76 h LYS 111 CO 0.06 0.21 -0.59 1.05 -2.00 0.00 0.00 179.45 178.18 1a76 h GLU 112 N 0.32 0.00 -0.22 0.07 4.11 -1.97 -1.23 114.58 115.68 1a76 h GLU 112 Ca 0.73 0.00 -0.06 0.00 0.07 0.00 0.00 59.36 60.09 1a76 h GLU 112 Cb 1.73 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.96 1a76 h GLU 112 CO -0.55 0.59 -0.15 0.22 0.07 0.00 0.00 179.01 179.20 1a76 h ASP 113 N 0.00 0.34 0.62 3.06 1.82 0.11 0.52 116.42 122.89 1a76 h ASP 113 Ca -0.01 -0.08 -0.11 0.00 -0.39 0.00 0.00 57.03 56.44 1a76 h ASP 113 Cb 1.16 -0.09 -0.02 0.00 0.68 0.00 0.00 39.33 41.06 1a76 h ASP 113 CO 0.08 0.52 -1.47 0.49 -1.61 0.00 0.00 179.24 177.25 1a76 n PHE 114 N -4.22 0.74 0.20 0.28 3.72 -0.86 -2.00 117.46 115.32 1a76 n PHE 114 Ca -0.00 0.23 0.08 0.00 -0.05 0.00 0.00 57.45 57.71 1a76 n PHE 114 Cb 0.31 -0.95 0.37 0.00 -0.94 0.00 0.00 39.48 38.27 1a76 n PHE 114 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 176.76 178.20 1a76 h GLU 115 N 0.00 0.00 0.00 -1.08 4.57 -0.81 0.05 114.58 117.31 1a76 h GLU 115 Ca -0.12 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.06 1a76 h GLU 115 Cb 1.37 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.96 1a76 h GLU 115 CO 0.02 0.31 -0.45 -1.91 -1.18 0.00 0.00 179.01 175.80 1a76 n GLU 116 N -3.44 0.16 0.02 1.92 2.13 0.18 -3.13 120.64 118.48 1a76 n GLU 116 Ca 0.00 0.06 -0.10 0.00 0.66 0.00 0.00 57.16 57.78 1a76 n GLU 116 Cb 0.49 -1.61 -0.04 0.00 0.27 0.00 0.00 31.44 30.54 1a76 n GLU 116 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1a76 h ALA 117 N 2.74 -0.07 0.00 4.31 0.00 -0.34 0.82 119.26 126.71 1a76 h ALA 117 Ca 0.00 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1a76 h ALA 117 Cb 0.63 0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.64 1a76 h ALA 117 CO 0.00 -0.58 0.00 0.00 0.00 0.00 0.00 179.25 178.67 1a76 h ALA 118 N 0.86 1.00 -0.29 0.00 0.00 -1.60 -3.35 119.26 115.88 1a76 h ALA 118 Ca 0.06 0.00 -0.71 0.00 0.00 0.00 0.00 54.91 54.27 1a76 h ALA 118 Cb 0.25 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.99 1a76 h ALA 118 CO -0.16 0.00 3.15 1.63 0.00 0.00 0.00 179.25 183.87 1a76 n LYS 119 N -2.90 3.89 0.00 0.00 5.02 0.29 -4.36 118.16 120.09 1a76 n LYS 119 Ca 0.01 -2.78 0.00 0.00 -2.02 0.00 0.00 58.31 53.52 1a76 n LYS 119 Cb 0.31 -2.81 0.00 0.00 -0.02 0.00 0.00 35.03 32.50 1a76 n LYS 119 CO 0.00 0.00 0.00 0.98 -0.52 0.00 0.00 177.40 177.86 1a76 n TYR 120 N 3.30 -0.61 -0.22 2.13 9.36 -1.24 -4.87 117.16 125.01 1a76 n TYR 120 Ca 0.67 0.00 0.10 0.00 3.32 0.00 0.00 57.90 61.99 1a76 n TYR 120 Cb 0.27 0.13 0.20 0.00 -0.63 0.00 0.00 39.34 39.30 1a76 n TYR 120 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1a76 n ALA 121 N -1.38 0.35 -0.05 2.98 0.00 -1.26 0.32 120.51 121.47 1a76 n ALA 121 Ca 0.00 0.69 0.22 0.00 0.00 0.00 0.00 53.44 54.34 1a76 n ALA 121 Cb 0.00 -0.51 0.68 0.00 0.00 0.00 0.00 19.45 19.62 1a76 n ALA 121 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1a76 h LYS 122 N 0.00 0.03 -0.90 0.00 3.64 -1.89 0.18 116.57 117.63 1a76 h LYS 122 Ca 0.40 -0.00 0.21 0.00 -1.27 0.00 0.00 60.65 59.99 1a76 h LYS 122 Cb 0.84 -0.01 -0.06 0.00 -0.41 0.00 0.00 32.23 32.59 1a76 h LYS 122 CO -0.60 0.02 0.60 -0.09 -2.27 0.00 0.00 179.45 177.11 1a76 h ARG 123 N 0.03 0.35 -1.60 1.90 9.65 0.47 0.40 114.38 125.58 1a76 h ARG 123 Ca 0.30 -0.02 0.00 0.00 -1.10 0.00 0.00 59.98 59.16 1a76 h ARG 123 Cb 1.15 -0.08 0.00 0.00 -1.39 0.00 0.00 29.97 29.65 1a76 h ARG 123 CO -0.01 0.23 0.00 1.55 2.80 0.00 0.00 179.97 184.54 1a76 n VAL 124 N -4.49 0.76 0.00 0.20 3.14 0.65 -4.93 118.33 113.67 1a76 n VAL 124 Ca 0.19 -0.09 0.00 0.00 -2.96 0.00 0.00 64.34 61.48 1a76 n VAL 124 Cb 0.73 -0.95 0.00 0.00 -1.06 0.00 0.00 33.84 32.56 1a76 n VAL 124 CO 0.00 0.00 0.00 -1.54 -6.46 0.00 0.00 176.83 168.83 1a76 n SER 125 N 1.02 0.00 0.27 6.55 3.41 0.14 -3.31 113.62 121.71 1a76 n SER 125 Ca 0.00 0.00 0.15 0.00 -0.26 0.00 0.00 58.87 58.76 1a76 n SER 125 Cb 0.29 0.00 0.76 0.00 -0.26 0.00 0.00 64.21 65.00 1a76 n SER 125 CO 0.00 0.00 0.00 1.88 -0.16 0.00 0.00 175.04 176.76 1a76 h TYR 126 N 0.00 0.00 -1.25 7.33 0.05 -1.92 -3.35 116.97 117.83 1a76 h TYR 126 Ca 0.00 0.00 -0.62 0.00 0.05 0.00 0.00 58.73 58.16 1a76 h TYR 126 Cb 0.00 0.00 -0.11 0.00 1.01 0.00 0.00 36.73 37.63 1a76 h TYR 126 CO 0.00 0.10 1.49 -1.17 -1.05 0.00 0.00 178.16 177.52 1a76 s LEU 127 N -6.90 3.73 0.39 3.88 0.20 -1.21 -4.94 118.68 113.83 1a76 s LEU 127 Ca -0.02 -1.63 -0.02 0.00 0.69 0.00 0.00 54.13 53.15 1a76 s LEU 127 Cb 0.12 -2.55 -0.04 0.00 -0.43 0.00 0.00 46.19 43.30 1a76 s LEU 127 CO 0.56 -1.42 0.64 0.42 -0.29 0.00 0.00 176.35 176.26 1a76 s THR 128 N 4.60 5.02 0.30 3.68 -4.23 -1.24 -4.86 115.64 118.91 1a76 s THR 128 Ca 0.45 -0.17 0.02 0.00 -1.18 0.00 0.00 61.69 60.81 1a76 s THR 128 Cb -0.00 -3.85 0.29 0.00 1.34 0.00 0.00 72.50 70.27 1a76 s THR 128 CO -0.08 -0.65 1.86 -0.65 -0.54 0.00 0.00 174.62 174.57 1a76 h PRO 129 N 0.64 0.96 -0.73 3.99 0.11 -1.94 -0.07 132.00 134.97 1a76 h PRO 129 Ca -0.49 -0.06 -0.05 0.00 0.11 0.00 0.00 66.00 65.51 1a76 h PRO 129 Cb 1.21 -0.22 -0.03 0.00 0.11 0.00 0.00 31.00 32.07 1a76 h PRO 129 CO 0.62 0.63 0.24 -0.22 -0.21 0.00 0.00 178.00 179.07 1a76 h LYS 130 N 0.99 1.12 -0.55 1.05 1.63 -1.98 0.21 116.57 119.04 1a76 h LYS 130 Ca 0.46 -0.23 -0.11 0.00 -0.85 0.00 0.00 60.65 59.92 1a76 h LYS 130 Cb 0.41 -0.17 -0.02 0.00 -0.60 0.00 0.00 32.23 31.85 1a76 h LYS 130 CO -0.22 0.95 -0.08 1.98 -3.45 0.00 0.00 179.45 178.63 1a76 h MET 131 N 1.07 1.01 -0.55 1.90 4.05 -1.64 -0.03 114.93 120.75 1a76 h MET 131 Ca 0.24 -0.36 -0.06 0.00 -0.28 0.00 0.00 59.70 59.24 1a76 h MET 131 Cb 0.28 -0.07 -0.02 0.00 -0.80 0.00 0.00 31.60 30.99 1a76 h MET 131 CO -0.01 1.04 0.12 0.28 0.23 0.00 0.00 176.91 178.57 1a76 h VAL 132 N 0.91 1.25 -0.57 -5.77 2.07 -0.69 -1.25 116.25 112.19 1a76 h VAL 132 Ca 0.15 -0.89 -0.07 0.00 0.82 0.00 0.00 66.70 66.70 1a76 h VAL 132 Cb 0.64 0.78 -0.02 0.00 -1.52 0.00 0.00 31.29 31.17 1a76 h VAL 132 CO 0.04 0.33 0.06 -0.33 0.02 0.00 0.00 177.57 177.69 1a76 h GLU 133 N 0.78 0.93 -0.31 1.57 3.07 -0.29 -2.36 114.58 117.97 1a76 h GLU 133 Ca 0.17 -0.24 -0.05 0.00 -0.50 0.00 0.00 59.36 58.74 1a76 h GLU 133 Cb 0.36 -0.11 -0.02 0.00 -0.84 0.00 0.00 28.75 28.14 1a76 h GLU 133 CO 0.00 0.89 -0.01 -0.91 -1.40 0.00 0.00 179.01 177.58 1a76 h ASN 134 N 0.87 0.44 -0.32 1.42 -0.26 -0.63 -1.43 115.58 115.66 1a76 h ASN 134 Ca 0.17 -0.08 -0.14 0.00 -0.56 0.00 0.00 56.30 55.69 1a76 h ASN 134 Cb 0.43 -0.12 -0.01 0.00 -1.06 0.00 0.00 38.32 37.57 1a76 h ASN 134 CO 0.01 0.52 -0.34 0.00 -1.06 0.00 0.00 177.43 176.57 1a76 h LYS 136 N 0.72 1.03 -0.49 0.00 1.57 -0.99 -1.51 116.57 116.89 1a76 h LYS 136 Ca 0.07 -0.34 -0.02 0.00 -1.87 0.00 0.00 60.65 58.50 1a76 h LYS 136 Cb 0.90 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 33.10 1a76 h LYS 136 CO 0.08 1.02 0.24 -0.92 -0.57 0.00 0.00 179.45 179.31 1a76 h TYR 137 N 0.91 0.70 -0.89 -1.35 3.20 -1.10 -1.42 116.97 117.03 1a76 h TYR 137 Ca 0.16 -0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.00 1a76 h TYR 137 Cb 0.58 -0.22 -0.04 0.00 1.54 0.00 0.00 36.73 38.58 1a76 h TYR 137 CO 0.04 0.55 0.56 1.25 -1.64 0.00 0.00 178.16 178.92 1a76 h LEU 138 N 0.65 1.05 -0.83 2.82 5.85 -0.96 -0.68 115.31 123.21 1a76 h LEU 138 Ca 0.17 -0.05 -0.07 0.00 0.84 0.00 0.00 57.88 58.77 1a76 h LEU 138 Cb 0.11 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 40.85 1a76 h LEU 138 CO -0.02 0.79 0.11 -0.07 -0.34 0.00 0.00 178.44 178.91 1a76 h LEU 139 N 1.22 0.93 -0.62 2.25 3.38 -0.86 0.23 115.31 121.85 1a76 h LEU 139 Ca 0.32 -0.20 -0.04 0.00 0.09 0.00 0.00 57.88 58.05 1a76 h LEU 139 Cb -0.08 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.39 1a76 h LEU 139 CO -0.06 0.93 0.22 0.77 0.09 0.00 0.00 178.44 180.38 1a76 h SER 140 N 0.93 0.88 -0.23 -0.43 4.64 -0.54 -0.20 113.55 118.59 1a76 h SER 140 Ca 0.19 -0.19 -0.05 0.00 -0.47 0.00 0.00 61.79 61.27 1a76 h SER 140 Cb 0.39 -0.23 -0.02 0.00 -0.31 0.00 0.00 62.40 62.23 1a76 h SER 140 CO 0.01 0.83 -0.01 -0.07 -0.87 0.00 0.00 176.83 176.72 1a76 h LEU 141 N 0.87 0.51 0.00 5.97 3.38 -0.64 -1.83 115.31 123.58 1a76 h LEU 141 Ca 0.20 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1a76 h LEU 141 Cb 0.25 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.86 1a76 h LEU 141 CO -0.01 0.59 0.00 0.23 0.09 0.00 0.00 178.44 179.34 1a76 n MET 142 N -4.27 0.19 -1.08 1.13 2.81 0.02 -0.77 117.12 115.17 1a76 n MET 142 Ca 0.01 0.03 -0.03 0.00 -1.81 0.00 0.00 57.70 55.91 1a76 n MET 142 Cb 0.26 -1.50 -0.01 0.00 -0.71 0.00 0.00 33.22 31.25 1a76 n MET 142 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1a76 n GLY 143 N 1.17 0.59 3.67 3.03 0.00 -0.41 -4.20 105.19 109.04 1a76 n GLY 143 Ca 0.10 -0.50 -0.38 0.00 0.00 0.00 0.00 46.02 45.24 1a76 n GLY 143 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1a76 s ILE 144 N -2.01 5.20 0.39 -0.61 -1.09 -0.22 -0.90 121.20 121.96 1a76 s ILE 144 Ca 0.00 0.69 -0.25 0.00 -2.23 0.00 0.00 60.65 58.86 1a76 s ILE 144 Cb 0.00 -3.72 -0.09 0.00 -1.58 0.00 0.00 42.46 37.07 1a76 s ILE 144 CO 0.00 0.25 1.11 -2.16 -1.23 0.00 0.00 174.94 172.91 1a76 s PRO 145 N 1.31 4.15 0.07 2.79 0.04 -1.26 -4.25 135.00 137.84 1a76 s PRO 145 Ca 0.19 1.69 0.00 0.00 0.04 0.00 0.00 61.00 62.92 1a76 s PRO 145 Cb -0.15 -2.66 -0.04 0.00 0.04 0.00 0.00 34.50 31.69 1a76 s PRO 145 CO 0.08 -0.20 -0.04 1.52 0.04 0.00 0.00 177.00 178.39 1a76 s TYR 146 N -1.50 0.69 0.03 0.56 -0.85 -1.26 -1.33 117.35 113.70 1a76 s TYR 146 Ca 0.56 -1.00 0.06 0.00 -0.52 0.00 0.00 57.07 56.17 1a76 s TYR 146 Cb -0.27 -0.45 -0.02 0.00 0.38 0.00 0.00 41.96 41.60 1a76 s TYR 146 CO 0.34 -0.28 -0.19 0.08 -1.52 0.00 0.00 175.55 173.98 1a76 s VAL 147 N -3.79 1.49 -0.43 -3.49 1.01 0.18 -4.86 120.40 110.52 1a76 s VAL 147 Ca 0.09 -1.07 -0.07 0.00 0.00 0.00 0.00 61.98 60.94 1a76 s VAL 147 Cb 0.07 -1.30 0.10 0.00 0.00 0.00 0.00 36.38 35.25 1a76 s VAL 147 CO -0.07 0.20 0.26 -1.61 0.00 0.00 0.00 175.10 173.87 1a76 s GLU 148 N -1.02 2.39 0.74 2.72 2.02 -1.26 0.10 118.70 124.39 1a76 s GLU 148 Ca 0.06 -1.65 -0.15 0.00 0.02 0.00 0.00 54.97 53.25 1a76 s GLU 148 Cb -0.08 -3.74 0.04 0.00 0.10 0.00 0.00 34.13 30.45 1a76 s GLU 148 CO 0.01 -1.05 1.21 0.00 0.02 0.00 0.00 175.26 175.45 1a76 s ALA 149 N 1.32 2.10 0.42 5.21 0.00 -0.09 -4.87 121.76 125.84 1a76 s ALA 149 Ca 0.05 0.88 0.08 0.00 0.00 0.00 0.00 51.96 52.97 1a76 s ALA 149 Cb -0.24 -3.47 0.89 0.00 0.00 0.00 0.00 23.12 20.30 1a76 s ALA 149 CO -0.01 -1.91 2.05 -1.35 0.00 0.00 0.00 175.76 174.54 1a76 h PRO 150 N -0.35 0.51 0.00 0.00 0.11 -1.81 -3.37 132.00 127.09 1a76 h PRO 150 Ca -0.47 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1a76 h PRO 150 Cb 1.30 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1a76 h PRO 150 CO 0.49 0.34 0.00 0.43 -0.21 0.00 0.00 178.00 179.05 1a76 n SER 151 N -4.48 0.00 -4.68 -2.05 7.64 -1.26 -4.48 113.62 104.32 1a76 n SER 151 Ca 0.04 0.00 -0.42 0.00 1.01 0.00 0.00 58.87 59.50 1a76 n SER 151 Cb 0.11 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.28 1a76 n SER 151 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 1a76 s GLU 152 N 1.56 4.23 0.29 1.43 0.41 -1.26 -4.44 118.70 120.93 1a76 s GLU 152 Ca 0.00 2.09 0.02 0.00 -0.41 0.00 0.00 54.97 56.67 1a76 s GLU 152 Cb 0.00 -3.71 0.46 0.00 -1.78 0.00 0.00 34.13 29.09 1a76 s GLU 152 CO 0.00 -0.70 1.77 0.78 -0.49 0.00 0.00 175.26 176.62 1a76 h GLY 153 N 9.05 0.57 1.86 -1.39 0.00 -1.83 -2.32 103.07 109.01 1a76 h GLY 153 Ca -0.38 -0.42 -0.04 0.00 0.00 0.00 0.00 47.33 46.49 1a76 h GLY 153 CO 0.93 0.38 -0.14 1.05 0.00 0.00 0.00 176.54 178.76 1a76 h GLU 154 N 0.48 0.17 -0.17 4.80 9.09 -1.90 -0.02 114.58 127.02 1a76 h GLU 154 Ca 0.08 -0.04 -0.19 0.00 0.05 0.00 0.00 59.36 59.27 1a76 h GLU 154 Cb 0.55 -0.02 0.01 0.00 -1.65 0.00 0.00 28.75 27.63 1a76 h GLU 154 CO 0.04 0.32 -0.63 0.00 0.05 0.00 0.00 179.01 178.78 1a76 h ALA 155 N 1.70 0.31 -0.53 1.06 0.00 -1.83 -1.86 119.26 118.11 1a76 h ALA 155 Ca 0.03 -0.55 -0.06 0.00 0.00 0.00 0.00 54.91 54.33 1a76 h ALA 155 Cb 0.35 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 1a76 h ALA 155 CO 0.02 0.58 0.08 0.37 0.00 0.00 0.00 179.25 180.31 1a76 h GLN 156 N 0.45 0.88 -0.69 0.00 5.75 -0.93 -1.90 115.11 118.67 1a76 h GLN 156 Ca -0.03 -0.24 -0.08 0.00 -0.15 0.00 0.00 58.65 58.16 1a76 h GLN 156 Cb 1.26 -0.10 -0.03 0.00 1.07 0.00 0.00 27.48 29.68 1a76 h GLN 156 CO 0.13 0.86 0.14 0.00 -2.65 0.00 0.00 178.83 177.31 1a76 h ALA 157 N 0.98 0.93 -0.37 3.38 0.00 -1.02 -1.97 119.26 121.20 1a76 h ALA 157 Ca 0.16 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 1a76 h ALA 157 Cb 0.41 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 1a76 h ALA 157 CO 0.01 0.67 0.16 0.77 0.00 0.00 0.00 179.25 180.86 1a76 h SER 158 N 1.06 0.50 -0.77 0.00 0.02 -1.16 -1.83 113.55 111.38 1a76 h SER 158 Ca 0.21 -0.16 0.05 0.00 -0.84 0.00 0.00 61.79 61.06 1a76 h SER 158 Cb 0.41 -0.13 -0.05 0.00 0.14 0.00 0.00 62.40 62.77 1a76 h SER 158 CO 0.01 0.52 0.47 0.22 -1.14 0.00 0.00 176.83 176.91 1a76 h TYR 159 N 0.45 0.87 -0.39 3.45 3.20 -1.09 0.29 116.97 123.75 1a76 h TYR 159 Ca 0.12 0.03 -0.06 0.00 3.14 0.00 0.00 58.73 61.96 1a76 h TYR 159 Cb 0.17 -0.28 -0.02 0.00 1.54 0.00 0.00 36.73 38.14 1a76 h TYR 159 CO -0.01 0.45 -0.00 0.52 -1.64 0.00 0.00 178.16 177.49 1a76 h MET 160 N 0.88 0.62 -0.10 1.82 2.86 -1.10 -0.77 114.93 119.13 1a76 h MET 160 Ca 0.33 -0.14 -0.17 0.00 -2.06 0.00 0.00 59.70 57.65 1a76 h MET 160 Cb 0.12 -0.08 0.01 0.00 0.06 0.00 0.00 31.60 31.71 1a76 h MET 160 CO -0.15 0.64 -0.61 0.00 1.06 0.00 0.00 176.91 177.85 1a76 h ALA 161 N 1.42 0.21 -0.89 6.32 0.00 -0.45 -1.71 119.26 124.15 1a76 h ALA 161 Ca 0.12 -0.54 0.03 0.00 0.00 0.00 0.00 54.91 54.52 1a76 h ALA 161 Cb 0.37 -0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.11 1a76 h ALA 161 CO 0.01 0.47 0.58 0.87 0.00 0.00 0.00 179.25 181.18 1a76 h LYS 162 N 0.22 1.09 0.00 0.00 1.57 -0.15 -1.24 116.57 118.05 1a76 h LYS 162 Ca -0.05 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.67 1a76 h LYS 162 Cb 1.25 -0.25 0.00 0.00 0.08 0.00 0.00 32.23 33.32 1a76 h LYS 162 CO 0.12 0.72 0.00 0.87 -0.57 0.00 0.00 179.45 180.60 1a76 h LYS 163 N 1.12 0.00 0.00 3.15 1.57 -1.12 -3.46 116.57 117.83 1a76 h LYS 163 Ca 0.35 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.13 1a76 h LYS 163 Cb -0.01 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.30 1a76 h LYS 163 CO -0.11 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.18 1a76 n GLY 164 N -0.12 0.76 0.16 3.86 0.00 -0.47 -4.93 105.19 104.45 1a76 n GLY 164 Ca 0.01 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.06 1a76 n GLY 164 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1a76 h ASP 165 N 0.00 0.00 -4.89 1.61 3.32 -1.53 -3.44 116.42 111.48 1a76 h ASP 165 Ca 0.00 0.00 -0.20 0.00 0.02 0.00 0.00 57.03 56.85 1a76 h ASP 165 Cb 0.00 0.00 -0.18 0.00 0.22 0.00 0.00 39.33 39.37 1a76 h ASP 165 CO 0.00 0.49 -0.70 0.68 -1.72 0.00 0.00 179.24 177.99 1a76 s VAL 166 N -3.56 0.41 0.15 -1.35 -7.23 -1.18 -4.92 120.40 102.73 1a76 s VAL 166 Ca -0.00 -1.50 0.02 0.00 -1.81 0.00 0.00 61.98 58.68 1a76 s VAL 166 Cb 0.11 -1.11 -0.17 0.00 0.56 0.00 0.00 36.38 35.78 1a76 s VAL 166 CO 0.72 -0.72 1.34 -0.25 -0.31 0.00 0.00 175.10 175.88 1a76 h TRP 167 N 3.70 0.32 -2.89 2.82 7.01 -0.98 -3.39 115.95 122.54 1a76 h TRP 167 Ca -0.34 -0.18 0.08 0.00 2.11 0.00 0.00 58.89 60.55 1a76 h TRP 167 Cb 1.18 -0.03 -0.05 0.00 -2.10 0.00 0.00 29.16 28.15 1a76 h TRP 167 CO 0.60 1.02 0.28 0.00 -2.79 0.00 0.00 178.44 177.55 1a76 s ALA 168 N -3.13 -1.26 -0.18 2.65 0.00 -1.23 -4.47 121.76 114.13 1a76 s ALA 168 Ca -0.03 -0.27 -0.08 0.00 0.00 0.00 0.00 51.96 51.58 1a76 s ALA 168 Cb 0.10 0.80 -0.04 0.00 0.00 0.00 0.00 23.12 23.98 1a76 s ALA 168 CO 0.84 -1.04 0.08 0.08 0.00 0.00 0.00 175.76 175.72 1a76 s VAL 169 N -3.70 4.94 -0.22 0.00 1.01 -0.70 -1.14 120.40 120.59 1a76 s VAL 169 Ca 0.12 0.02 -0.15 0.00 0.00 0.00 0.00 61.98 61.97 1a76 s VAL 169 Cb -0.05 -3.22 -0.04 0.00 0.00 0.00 0.00 36.38 33.06 1a76 s VAL 169 CO 0.07 0.47 0.34 -0.69 0.00 0.00 0.00 175.10 175.29 1a76 s VAL 170 N 0.25 5.23 -0.04 2.92 1.01 0.05 -1.14 120.40 128.68 1a76 s VAL 170 Ca 0.05 0.57 -0.30 0.00 0.00 0.00 0.00 61.98 62.30 1a76 s VAL 170 Cb -0.12 -3.68 0.11 0.00 0.00 0.00 0.00 36.38 32.70 1a76 s VAL 170 CO -0.00 0.25 1.05 -0.55 0.00 0.00 0.00 175.10 175.85 1a76 s SER 171 N 1.17 -0.23 0.05 3.32 0.15 -1.04 -1.15 113.70 115.97 1a76 s SER 171 Ca 0.16 -0.07 0.23 0.00 0.70 0.00 0.00 55.95 56.97 1a76 s SER 171 Cb -0.15 0.29 0.15 0.00 -1.71 0.00 0.00 66.02 64.61 1a76 s SER 171 CO 0.08 -0.50 1.13 0.00 1.20 0.00 0.00 173.24 175.15 1a76 n GLN 172 N -0.26 0.23 -3.47 5.44 1.13 -1.26 -3.80 117.38 115.39 1a76 n GLN 172 Ca -0.05 0.01 -0.26 0.00 -1.94 0.00 0.00 57.00 54.76 1a76 n GLN 172 Cb 0.61 -1.59 -0.02 0.00 0.11 0.00 0.00 30.24 29.34 1a76 n GLN 172 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 1a76 s ASP 173 N -3.79 6.36 0.01 1.08 1.01 -1.26 -4.98 116.67 115.10 1a76 s ASP 173 Ca 0.05 0.49 0.23 0.00 0.71 0.00 0.00 52.55 54.03 1a76 s ASP 173 Cb 0.15 -2.05 0.05 0.00 1.01 0.00 0.00 42.92 42.08 1a76 s ASP 173 CO 0.78 -0.20 1.06 -1.22 0.21 0.00 0.00 175.17 175.80 1a76 n TYR 174 N -1.27 0.08 -0.36 4.23 4.01 -1.26 -4.52 117.16 118.07 1a76 n TYR 174 Ca -0.04 0.02 0.37 0.00 -0.16 0.00 0.00 57.90 58.09 1a76 n TYR 174 Cb 0.55 -0.22 0.76 0.00 -0.31 0.00 0.00 39.34 40.11 1a76 n TYR 174 CO 0.00 0.00 0.00 -0.44 -0.46 0.00 0.00 176.86 175.96 1a76 h ASP 175 N 0.00 0.00 -0.15 7.72 5.19 -1.95 -1.09 116.42 126.13 1a76 h ASP 175 Ca 0.00 0.00 0.04 0.00 -0.62 0.00 0.00 57.03 56.45 1a76 h ASP 175 Cb 0.59 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.10 1a76 h ASP 175 CO 0.00 0.00 0.13 0.00 -3.12 0.00 0.00 179.24 176.25 1a76 h ALA 176 N 1.34 1.95 -0.60 3.45 0.00 -1.89 -0.52 119.26 122.98 1a76 h ALA 176 Ca 0.60 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.47 1a76 h ALA 176 Cb 2.45 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 20.22 1a76 h ALA 176 CO -0.01 -0.21 0.24 -0.07 0.00 0.00 0.00 179.25 179.20 1a76 h LEU 177 N 0.00 0.79 -2.07 0.00 3.38 -1.44 -1.69 115.31 114.29 1a76 h LEU 177 Ca 0.07 -0.10 -0.02 0.00 0.09 0.00 0.00 57.88 57.92 1a76 h LEU 177 Cb 0.33 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.88 1a76 h LEU 177 CO -0.00 0.71 -0.08 -0.07 0.09 0.00 0.00 178.44 179.09 1a76 h LEU 178 N 0.86 0.00 -1.80 1.67 3.38 -1.26 -0.96 115.31 117.19 1a76 h LEU 178 Ca 0.20 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.17 1a76 h LEU 178 Cb 0.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.92 1a76 h LEU 178 CO -0.02 0.08 0.00 -1.22 0.09 0.00 0.00 178.44 177.37 1a76 n TYR 179 N -3.55 0.65 -0.64 1.13 4.02 -0.82 -4.73 117.16 113.22 1a76 n TYR 179 Ca -0.02 -0.33 0.00 0.00 -0.01 0.00 0.00 57.90 57.55 1a76 n TYR 179 Cb 0.21 -0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.53 1a76 n TYR 179 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1a76 n GLY 180 N 1.28 0.67 3.69 2.72 0.00 -0.37 -4.75 105.19 108.42 1a76 n GLY 180 Ca 0.16 -0.08 -0.43 0.00 0.00 0.00 0.00 46.02 45.68 1a76 n GLY 180 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a76 n ALA 181 N -0.08 2.06 0.12 4.61 0.00 -0.70 -4.74 120.51 121.78 1a76 n ALA 181 Ca 0.00 0.31 0.00 0.00 0.00 0.00 0.00 53.44 53.75 1a76 n ALA 181 Cb 0.00 -2.59 0.31 0.00 0.00 0.00 0.00 19.45 17.17 1a76 n ALA 181 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1a76 h PRO 182 N 8.68 0.20 -3.42 0.00 0.11 -1.87 -3.40 132.00 132.30 1a76 h PRO 182 Ca -0.47 -0.07 -0.17 0.00 0.11 0.00 0.00 66.00 65.40 1a76 h PRO 182 Cb 1.23 -0.01 -0.24 0.00 0.11 0.00 0.00 31.00 32.08 1a76 h PRO 182 CO 0.95 0.48 -0.52 1.03 -0.21 0.00 0.00 178.00 179.72 1a76 s ARG 183 N -4.38 0.29 -0.01 1.05 0.52 -1.26 -0.92 118.95 114.24 1a76 s ARG 183 Ca -0.05 -0.01 0.04 0.00 -0.52 0.00 0.00 55.73 55.19 1a76 s ARG 183 Cb 0.14 0.13 -0.01 0.00 0.52 0.00 0.00 34.95 35.73 1a76 s ARG 183 CO 0.75 -0.05 -0.13 0.08 0.02 0.00 0.00 175.30 175.96 1a76 s VAL 184 N -0.45 1.03 -0.12 3.52 1.01 -0.51 -1.72 120.40 123.15 1a76 s VAL 184 Ca -0.05 -0.57 0.00 0.00 0.00 0.00 0.00 61.98 61.36 1a76 s VAL 184 Cb -0.04 -0.87 0.02 0.00 0.00 0.00 0.00 36.38 35.50 1a76 s VAL 184 CO 0.01 0.28 -0.11 -0.69 0.00 0.00 0.00 175.10 174.59 1a76 s VAL 185 N -0.32 1.31 0.36 2.92 1.01 -0.29 -0.85 120.40 124.54 1a76 s VAL 185 Ca 0.05 -0.48 0.07 0.00 0.00 0.00 0.00 61.98 61.62 1a76 s VAL 185 Cb -0.05 -1.26 -0.02 0.00 0.00 0.00 0.00 36.38 35.05 1a76 s VAL 185 CO -0.00 0.41 0.38 -0.13 0.00 0.00 0.00 175.10 175.76 1a76 s ARG 186 N 1.48 2.79 -1.07 2.72 0.52 0.82 -2.50 118.95 123.70 1a76 s ARG 186 Ca 0.03 -1.27 -0.07 0.00 -0.52 0.00 0.00 55.73 53.89 1a76 s ARG 186 Cb -0.13 -2.57 0.01 0.00 0.52 0.00 0.00 34.95 32.78 1a76 s ARG 186 CO -0.08 -0.02 0.94 0.09 0.02 0.00 0.00 175.30 176.25 1a76 n ASN 187 N -1.53 -5.47 -0.07 0.23 3.02 -1.26 -1.06 115.26 109.12 1a76 n ASN 187 Ca 0.01 -0.42 -0.09 0.00 -0.03 0.00 0.00 54.58 54.04 1a76 n ASN 187 Cb 0.60 -4.08 -0.07 0.00 -0.61 0.00 0.00 39.78 35.62 1a76 n ASN 187 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1a76 n LEU 188 N -4.06 2.46 0.13 3.41 4.77 -1.26 -4.18 117.00 118.28 1a76 n LEU 188 Ca 0.01 -0.06 0.13 0.00 -0.03 0.00 0.00 56.01 56.05 1a76 n LEU 188 Cb 0.55 -0.37 0.42 0.00 -2.33 0.00 0.00 43.42 41.69 1a76 n LEU 188 CO 0.51 0.66 0.88 0.71 -1.33 0.00 0.00 177.39 178.82 1a76 h THR 189 N 0.00 0.00 -2.95 -5.08 1.35 -1.94 -3.41 112.91 100.88 1a76 h THR 189 Ca -0.32 -0.46 -0.21 0.00 -0.55 0.00 0.00 66.41 64.88 1a76 h THR 189 Cb 1.54 1.38 -0.31 0.00 -1.73 0.00 0.00 68.15 69.03 1a76 h THR 189 CO -0.04 0.00 -0.51 0.42 -0.25 0.00 0.00 175.52 175.15 1a76 s THR 190 N -3.20 -0.20 -0.23 6.82 -4.23 -1.26 -4.78 115.64 108.55 1a76 s THR 190 Ca 0.08 0.21 0.14 0.00 -1.18 0.00 0.00 61.69 60.94 1a76 s THR 190 Cb 0.11 -0.41 0.61 0.00 1.34 0.00 0.00 72.50 74.15 1a76 s THR 190 CO 0.54 0.09 1.55 0.35 -0.54 0.00 0.00 174.62 176.61 1a76 n THR 191 N 4.72 2.52 -0.30 3.99 -2.24 -1.26 -4.29 114.28 117.42 1a76 n THR 191 Ca -0.17 -1.90 0.07 0.00 -2.27 0.00 0.00 64.05 59.78 1a76 n THR 191 Cb 0.52 -0.29 0.23 0.00 -2.10 0.00 0.00 70.33 68.68 1a76 n THR 191 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 1a76 h LYS 192 N 2.12 0.66 -5.89 -0.78 1.63 -1.98 -3.41 116.57 108.92 1a76 h LYS 192 Ca 0.09 -0.04 -0.58 0.00 -0.85 0.00 0.00 60.65 59.27 1a76 h LYS 192 Cb 1.73 -0.15 -0.10 0.00 -0.60 0.00 0.00 32.23 33.11 1a76 h LYS 192 CO 0.39 0.43 -0.54 -1.21 -3.45 0.00 0.00 179.45 175.07 1a76 s GLU 193 N -5.97 2.15 0.62 1.90 2.02 -1.26 -5.12 118.70 113.05 1a76 s GLU 193 Ca -0.12 -1.86 -0.17 0.00 0.02 0.00 0.00 54.97 52.84 1a76 s GLU 193 Cb 0.22 -1.92 -0.02 0.00 0.10 0.00 0.00 34.13 32.51 1a76 s GLU 193 CO 0.78 -0.04 1.14 -1.64 0.02 0.00 0.00 175.26 175.52 1a76 s MET 194 N -3.83 2.91 0.48 1.61 -1.94 -1.26 -4.89 119.30 112.39 1a76 s MET 194 Ca 0.39 1.55 -0.23 0.00 -1.71 0.00 0.00 55.69 55.68 1a76 s MET 194 Cb 0.04 -1.95 -0.08 0.00 2.01 0.00 0.00 34.83 34.85 1a76 s MET 194 CO 0.21 -1.19 1.14 -2.30 -0.01 0.00 0.00 175.02 172.88 1a76 n PRO 195 N -2.02 1.50 -4.28 2.03 -0.02 -1.25 -4.71 135.00 126.25 1a76 n PRO 195 Ca 0.11 0.54 -0.25 0.00 -2.02 0.00 0.00 63.50 61.89 1a76 n PRO 195 Cb 0.51 -2.27 -0.17 0.00 -0.02 0.00 0.00 33.50 31.56 1a76 n PRO 195 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 1a76 s GLU 196 N -2.38 1.55 -0.14 -0.52 2.12 -0.22 -1.33 118.70 117.78 1a76 s GLU 196 Ca 0.67 -0.32 -0.05 0.00 0.36 0.00 0.00 54.97 55.62 1a76 s GLU 196 Cb -0.49 -1.43 -0.04 0.00 0.26 0.00 0.00 34.13 32.44 1a76 s GLU 196 CO 0.54 -0.10 0.05 -1.17 -0.54 0.00 0.00 175.26 174.04 1a76 s LEU 197 N 1.10 3.78 -0.17 2.70 2.96 0.63 -0.13 118.68 129.55 1a76 s LEU 197 Ca -0.07 0.14 0.01 0.00 -0.22 0.00 0.00 54.13 53.99 1a76 s LEU 197 Cb -0.14 -1.92 0.02 0.00 0.50 0.00 0.00 46.19 44.65 1a76 s LEU 197 CO -0.01 0.27 -0.16 -0.63 -1.32 0.00 0.00 176.35 174.49 1a76 s ILE 198 N -0.22 1.84 -0.30 6.68 1.09 -0.03 -1.29 121.20 128.97 1a76 s ILE 198 Ca 0.07 -0.86 -0.10 0.00 -1.10 0.00 0.00 60.65 58.66 1a76 s ILE 198 Cb -0.12 -1.72 -0.02 0.00 -1.06 0.00 0.00 42.46 39.54 1a76 s ILE 198 CO 0.02 0.45 0.15 -0.70 -0.10 0.00 0.00 174.94 174.76 1a76 s GLU 199 N 1.37 3.49 0.22 2.79 2.12 -1.26 -1.43 118.70 126.00 1a76 s GLU 199 Ca 0.04 -0.61 -0.08 0.00 0.36 0.00 0.00 54.97 54.68 1a76 s GLU 199 Cb -0.14 -3.57 0.34 0.00 0.26 0.00 0.00 34.13 31.03 1a76 s GLU 199 CO -0.11 -0.35 1.73 1.25 -0.54 0.00 0.00 175.26 177.23 1a76 h LEU 200 N 8.35 0.17 -0.85 2.70 5.85 -1.25 -0.86 115.31 129.42 1a76 h LEU 200 Ca -0.33 0.10 0.07 0.00 0.84 0.00 0.00 57.88 58.55 1a76 h LEU 200 Cb 1.16 0.10 -0.06 0.00 0.37 0.00 0.00 40.66 42.22 1a76 h LEU 200 CO 0.60 0.08 0.52 -1.13 -0.34 0.00 0.00 178.44 178.18 1a76 h ASN 201 N 0.37 0.81 -0.47 1.25 -1.24 -1.92 -1.03 115.58 113.35 1a76 h ASN 201 Ca 0.35 0.02 -0.05 0.00 0.71 0.00 0.00 56.30 57.33 1a76 h ASN 201 Cb 0.49 -0.14 -0.02 0.00 0.73 0.00 0.00 38.32 39.38 1a76 h ASN 201 CO -0.37 0.51 0.08 -0.08 -1.29 0.00 0.00 177.43 176.28 1a76 h GLU 202 N 0.94 0.78 0.04 6.67 4.81 -1.57 -1.70 114.58 124.55 1a76 h GLU 202 Ca 0.38 -0.20 0.02 0.00 -0.13 0.00 0.00 59.36 59.42 1a76 h GLU 202 Cb 0.21 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.47 1a76 h GLU 202 CO -0.19 0.78 -0.15 0.28 -0.73 0.00 0.00 179.01 179.01 1a76 h VAL 203 N 0.65 0.64 -0.52 0.32 2.07 -0.58 -0.71 116.25 118.13 1a76 h VAL 203 Ca 0.14 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.65 1a76 h VAL 203 Cb 0.38 0.64 -0.02 0.00 -1.52 0.00 0.00 31.29 30.77 1a76 h VAL 203 CO 0.01 0.00 0.25 -0.07 0.02 0.00 0.00 177.57 177.78 1a76 h LEU 204 N -0.27 0.68 -0.32 2.57 3.38 -1.15 -1.52 115.31 118.67 1a76 h LEU 204 Ca 0.04 -0.13 -0.07 0.00 0.09 0.00 0.00 57.88 57.81 1a76 h LEU 204 Cb 0.31 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 1a76 h LEU 204 CO -0.11 0.61 -0.08 -0.33 0.09 0.00 0.00 178.44 178.62 1a76 h GLU 205 N 0.69 0.61 -0.59 1.13 4.39 -1.21 0.17 114.58 119.77 1a76 h GLU 205 Ca 0.18 -0.24 -0.06 0.00 0.34 0.00 0.00 59.36 59.58 1a76 h GLU 205 Cb 0.12 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 28.71 1a76 h GLU 205 CO -0.02 0.80 0.13 -0.44 -1.16 0.00 0.00 179.01 178.31 1a76 h ASP 206 N 0.39 0.91 0.69 1.42 5.19 -1.07 -2.98 116.42 120.96 1a76 h ASP 206 Ca 0.08 -0.24 0.00 0.00 -0.62 0.00 0.00 57.03 56.25 1a76 h ASP 206 Cb 0.57 -0.24 0.00 0.00 0.18 0.00 0.00 39.33 39.84 1a76 h ASP 206 CO 0.03 0.92 -0.41 0.18 -3.12 0.00 0.00 179.24 176.84 1a76 n LEU 207 N -4.34 0.44 -2.62 1.55 4.77 -0.58 -4.97 117.00 111.25 1a76 n LEU 207 Ca 0.03 0.16 -0.14 0.00 -0.03 0.00 0.00 56.01 56.03 1a76 n LEU 207 Cb 0.25 -0.29 0.06 0.00 -2.33 0.00 0.00 43.42 41.11 1a76 n LEU 207 CO 0.41 0.06 0.12 0.54 -1.33 0.00 0.00 177.39 177.19 1a76 n ARG 208 N -1.62 -4.91 -4.15 3.23 5.12 0.46 -5.04 116.66 109.76 1a76 n ARG 208 Ca 0.05 0.57 -0.10 0.00 -1.93 0.00 0.00 57.85 56.45 1a76 n ARG 208 Cb 0.36 -4.78 -0.10 0.00 -1.16 0.00 0.00 32.46 26.77 1a76 n ARG 208 CO 0.00 0.00 0.00 0.96 -1.93 0.00 0.00 177.63 176.66 1a76 s ILE 209 N -3.23 0.32 0.57 0.55 -4.36 -0.38 -5.03 121.20 109.63 1a76 s ILE 209 Ca 0.18 -1.89 0.01 0.00 -0.26 0.00 0.00 60.65 58.68 1a76 s ILE 209 Cb -0.08 -1.84 0.04 0.00 1.25 0.00 0.00 42.46 41.83 1a76 s ILE 209 CO 0.49 -0.70 0.80 -0.94 0.24 0.00 0.00 174.94 174.84 1a76 s SER 210 N -3.03 5.22 0.21 4.36 1.04 -1.26 -4.56 113.70 115.67 1a76 s SER 210 Ca 0.17 0.02 -0.08 0.00 0.48 0.00 0.00 55.95 56.54 1a76 s SER 210 Cb 0.07 -0.88 0.14 0.00 0.10 0.00 0.00 66.02 65.45 1a76 s SER 210 CO -0.03 -1.20 1.76 0.25 0.98 0.00 0.00 173.24 175.01 1a76 h LEU 211 N -0.00 1.06 -1.00 2.42 6.46 -1.98 -1.09 115.31 121.19 1a76 h LEU 211 Ca -0.42 -0.19 0.04 0.00 -0.12 0.00 0.00 57.88 57.19 1a76 h LEU 211 Cb 1.30 -0.28 -0.06 0.00 -0.73 0.00 0.00 40.66 40.89 1a76 h LEU 211 CO 0.53 0.96 0.65 0.44 -0.62 0.00 0.00 178.44 180.40 1a76 h ASP 212 N 1.10 1.08 -0.47 1.25 3.32 -1.96 -1.00 116.42 119.75 1a76 h ASP 212 Ca 0.25 -0.01 -0.04 0.00 0.02 0.00 0.00 57.03 57.25 1a76 h ASP 212 Cb 0.25 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.53 1a76 h ASP 212 CO -0.02 0.74 0.13 0.44 -1.72 0.00 0.00 179.24 178.82 1a76 h ASP 213 N 1.26 0.70 -0.91 6.45 3.32 -1.75 -2.26 116.42 123.23 1a76 h ASP 213 Ca 0.40 -0.22 0.01 0.00 0.02 0.00 0.00 57.03 57.24 1a76 h ASP 213 Cb 0.01 -0.18 -0.05 0.00 0.22 0.00 0.00 39.33 39.33 1a76 h ASP 213 CO -0.13 0.74 0.60 0.25 -1.72 0.00 0.00 179.24 178.98 1a76 h LEU 214 N 0.63 1.04 -1.04 1.55 5.85 -0.56 -1.31 115.31 121.48 1a76 h LEU 214 Ca 0.15 -0.03 -0.04 0.00 0.84 0.00 0.00 57.88 58.80 1a76 h LEU 214 Cb 0.30 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.04 1a76 h LEU 214 CO -0.00 0.75 0.22 0.40 -0.34 0.00 0.00 178.44 179.47 1a76 h ILE 215 N 1.23 1.22 -0.29 4.05 2.04 -1.03 -0.22 117.51 124.52 1a76 h ILE 215 Ca 0.33 -0.74 -0.03 0.00 1.00 0.00 0.00 64.86 65.43 1a76 h ILE 215 Cb -0.14 0.52 -0.01 0.00 -0.74 0.00 0.00 36.82 36.45 1a76 h ILE 215 CO -0.07 0.29 0.06 0.44 0.00 0.00 0.00 178.15 178.87 1a76 h ASP 216 N 0.89 0.44 -0.63 1.72 3.32 -0.76 0.15 116.42 121.56 1a76 h ASP 216 Ca 0.21 -0.24 0.06 0.00 0.02 0.00 0.00 57.03 57.07 1a76 h ASP 216 Cb 0.21 -0.12 -0.05 0.00 0.22 0.00 0.00 39.33 39.59 1a76 h ASP 216 CO -0.01 0.57 0.34 0.40 -1.72 0.00 0.00 179.24 178.81 1a76 h ILE 217 N 0.30 0.95 -0.52 0.35 2.04 -0.82 0.28 117.51 120.09 1a76 h ILE 217 Ca 0.09 -0.21 0.01 0.00 1.00 0.00 0.00 64.86 65.75 1a76 h ILE 217 Cb 0.31 0.27 -0.03 0.00 -0.74 0.00 0.00 36.82 36.63 1a76 h ILE 217 CO 0.00 0.11 0.33 0.00 0.00 0.00 0.00 178.15 178.60 1a76 h ALA 218 N 1.34 0.66 -0.60 1.87 0.00 -0.58 -1.03 119.26 120.92 1a76 h ALA 218 Ca 0.28 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 1a76 h ALA 218 Cb 0.19 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 1a76 h ALA 218 CO -0.19 0.07 0.32 0.82 0.00 0.00 0.00 179.25 180.27 1a76 h ILE 219 N 0.67 1.20 -0.41 0.00 2.04 0.40 0.29 117.51 121.70 1a76 h ILE 219 Ca 0.20 -0.51 0.03 0.00 1.00 0.00 0.00 64.86 65.58 1a76 h ILE 219 Cb -0.04 0.44 -0.03 0.00 -0.74 0.00 0.00 36.82 36.44 1a76 h ILE 219 CO -0.06 0.22 0.21 -0.26 0.00 0.00 0.00 178.15 178.26 1a76 h PHE 220 N 0.81 0.39 -0.07 1.37 0.04 -0.52 -2.17 116.94 116.79 1a76 h PHE 220 Ca 0.21 0.02 -0.12 0.00 2.80 0.00 0.00 57.97 60.88 1a76 h PHE 220 Cb 0.06 -0.11 -0.01 0.00 2.20 0.00 0.00 35.95 38.08 1a76 h PHE 220 CO -0.01 0.20 -0.49 0.52 -0.60 0.00 0.00 178.31 177.93 1a76 h MET 221 N 0.42 0.17 0.00 1.51 2.86 -0.84 0.18 114.93 119.23 1a76 h MET 221 Ca 0.18 -0.09 0.00 0.00 -2.06 0.00 0.00 59.70 57.72 1a76 h MET 221 Cb 0.08 0.01 0.00 0.00 0.06 0.00 0.00 31.60 31.74 1a76 h MET 221 CO -0.12 0.62 0.00 0.41 1.06 0.00 0.00 176.91 178.89 1a76 n GLY 222 N -0.03 2.99 2.35 8.32 0.00 0.10 -3.76 105.19 115.16 1a76 n GLY 222 Ca -0.02 -1.15 -0.14 0.00 0.00 0.00 0.00 46.02 44.71 1a76 n GLY 222 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1a76 n THR 223 N 0.75 0.00 0.29 2.61 -2.24 -1.22 -4.77 114.28 109.70 1a76 n THR 223 Ca 0.00 -1.27 0.18 0.00 -2.27 0.00 0.00 64.05 60.69 1a76 n THR 223 Cb 0.00 -0.41 0.80 0.00 -2.10 0.00 0.00 70.33 68.62 1a76 n THR 223 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1a76 h ASP 224 N 0.26 0.00 0.69 3.42 3.32 -1.98 -2.47 116.42 119.66 1a76 h ASP 224 Ca -0.19 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.86 1a76 h ASP 224 Cb 0.77 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.32 1a76 h ASP 224 CO 0.29 0.01 -0.50 -1.22 -1.72 0.00 0.00 179.24 176.11 1a76 n TYR 225 N -3.12 0.22 -2.93 4.55 4.01 -1.26 -4.45 117.16 114.17 1a76 n TYR 225 Ca -0.00 0.06 -0.14 0.00 -0.16 0.00 0.00 57.90 57.66 1a76 n TYR 225 Cb 0.26 -0.43 0.01 0.00 -0.31 0.00 0.00 39.34 38.86 1a76 n TYR 225 CO 0.00 0.00 0.00 0.27 -0.46 0.00 0.00 176.86 176.67 1a76 n ASN 226 N -1.74 -1.53 -4.63 7.72 0.23 -0.95 -5.07 115.26 109.30 1a76 n ASN 226 Ca 0.05 -3.10 -0.45 0.00 -0.53 0.00 0.00 54.58 50.54 1a76 n ASN 226 Cb 0.38 0.81 -0.02 0.00 -2.08 0.00 0.00 39.78 38.86 1a76 n ASN 226 CO 0.00 0.00 0.00 -2.65 -0.93 0.00 0.00 177.26 173.68 1a76 n PRO 227 N 1.37 1.61 0.00 -0.53 -0.02 -1.07 -1.38 135.00 134.98 1a76 n PRO 227 Ca 0.14 0.57 0.00 0.00 -2.02 0.00 0.00 63.50 62.19 1a76 n PRO 227 Cb 0.60 -2.08 0.00 0.00 -0.02 0.00 0.00 33.50 32.01 1a76 n PRO 227 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1a76 n GLY 228 N 1.57 1.64 7.00 -1.23 0.00 -1.26 -4.97 105.19 107.94 1a76 n GLY 228 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 1a76 n GLY 228 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a76 n GLY 229 N -2.00 2.21 3.24 -0.02 0.00 -0.48 -4.50 105.19 103.65 1a76 n GLY 229 Ca 0.00 -0.32 -0.33 0.00 0.00 0.00 0.00 46.02 45.36 1a76 n GLY 229 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1a76 s VAL 230 N 0.00 2.53 -0.79 1.61 1.01 0.61 -4.86 120.40 120.52 1a76 s VAL 230 Ca 0.00 -0.82 -0.08 0.00 0.00 0.00 0.00 61.98 61.09 1a76 s VAL 230 Cb 0.00 -2.06 0.08 0.00 0.00 0.00 0.00 36.38 34.40 1a76 s VAL 230 CO 0.00 0.52 0.19 0.29 0.00 0.00 0.00 175.10 176.10 1a76 n LYS 231 N 4.11 -0.90 -0.92 2.72 4.76 -1.26 0.16 118.16 126.82 1a76 n LYS 231 Ca -0.19 0.06 0.00 0.00 -2.87 0.00 0.00 58.31 55.30 1a76 n LYS 231 Cb 0.52 -1.93 0.00 0.00 -1.84 0.00 0.00 35.03 31.78 1a76 n LYS 231 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1a76 n GLY 232 N -1.02 0.25 3.71 0.72 0.00 -1.26 -4.95 105.19 102.63 1a76 n GLY 232 Ca -0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1a76 n GLY 232 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1a76 s ILE 233 N -1.60 2.66 0.07 -0.61 1.01 0.12 -5.01 121.20 117.84 1a76 s ILE 233 Ca 0.00 0.38 0.00 0.00 0.00 0.00 0.00 60.65 61.03 1a76 s ILE 233 Cb 0.00 -3.25 0.01 0.00 0.01 0.00 0.00 42.46 39.24 1a76 s ILE 233 CO 0.00 0.02 0.09 0.61 0.00 0.00 0.00 174.94 175.66 1a76 n GLY 234 N 3.88 0.96 0.13 6.18 0.00 -1.26 -4.19 105.19 110.88 1a76 n GLY 234 Ca 0.15 -1.99 -0.10 0.00 0.00 0.00 0.00 46.02 44.08 1a76 n GLY 234 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1a76 h PHE 235 N -0.33 0.34 -0.16 1.61 3.04 -1.94 -1.66 116.94 117.84 1a76 h PHE 235 Ca -0.03 0.00 0.03 0.00 3.98 0.00 0.00 57.97 61.95 1a76 h PHE 235 Cb 0.11 -0.11 -0.03 0.00 2.56 0.00 0.00 35.95 38.49 1a76 h PHE 235 CO 0.00 0.23 -0.01 0.87 -2.02 0.00 0.00 178.31 177.38 1a76 h LYS 236 N 0.34 0.03 -0.41 1.11 1.57 -1.98 0.15 116.57 117.38 1a76 h LYS 236 Ca 0.09 -0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.75 1a76 h LYS 236 Cb -0.01 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.28 1a76 h LYS 236 CO -0.02 0.02 -0.22 -0.09 -0.57 0.00 0.00 179.45 178.57 1a76 h ARG 237 N 0.03 0.82 -0.42 3.15 9.65 -1.94 -1.47 114.38 124.21 1a76 h ARG 237 Ca 0.07 -0.34 -0.10 0.00 -1.10 0.00 0.00 59.98 58.52 1a76 h ARG 237 Cb 0.10 -0.04 -0.01 0.00 -1.39 0.00 0.00 29.97 28.63 1a76 h ARG 237 CO -0.13 0.96 -0.13 0.00 2.80 0.00 0.00 179.97 183.47 1a76 h ALA 238 N 1.03 0.58 -0.27 2.80 0.00 -1.04 -1.74 119.26 120.62 1a76 h ALA 238 Ca 0.10 -0.34 -0.06 0.00 0.00 0.00 0.00 54.91 54.60 1a76 h ALA 238 Cb 0.75 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 1a76 h ALA 238 CO 0.06 0.49 -0.11 -0.92 0.00 0.00 0.00 179.25 178.76 1a76 h TYR 239 N 0.65 0.47 -0.50 0.00 3.20 -0.63 -0.67 116.97 119.50 1a76 h TYR 239 Ca 0.10 -0.07 -0.06 0.00 3.14 0.00 0.00 58.73 61.85 1a76 h TYR 239 Cb 0.67 -0.13 -0.02 0.00 1.54 0.00 0.00 36.73 38.79 1a76 h TYR 239 CO 0.05 0.55 0.09 1.49 -1.64 0.00 0.00 178.16 178.70 1a76 h GLU 240 N 0.42 0.82 -0.21 1.82 4.81 -0.89 -0.66 114.58 120.68 1a76 h GLU 240 Ca 0.08 -0.22 -0.14 0.00 -0.13 0.00 0.00 59.36 58.95 1a76 h GLU 240 Cb 0.45 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.73 1a76 h GLU 240 CO 0.03 0.81 -0.47 -0.07 -0.73 0.00 0.00 179.01 178.58 1a76 h LEU 241 N 0.70 0.59 -0.04 1.64 3.38 -0.89 -2.39 115.31 118.29 1a76 h LEU 241 Ca 0.15 -0.28 -0.01 0.00 0.09 0.00 0.00 57.88 57.83 1a76 h LEU 241 Cb 0.38 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.97 1a76 h LEU 241 CO 0.01 0.97 0.01 0.58 0.09 0.00 0.00 178.44 180.09 1a76 h VAL 242 N 0.44 1.22 0.00 1.22 2.07 -0.91 -2.67 116.25 117.62 1a76 h VAL 242 Ca 0.03 -0.67 -0.02 0.00 0.82 0.00 0.00 66.70 66.86 1a76 h VAL 242 Cb 0.98 1.59 -0.00 0.00 -1.52 0.00 0.00 31.29 32.34 1a76 h VAL 242 CO 0.09 0.18 -0.09 0.03 0.02 0.00 0.00 177.57 177.80 1a76 h ARG 243 N -0.19 0.00 0.00 1.57 2.47 -1.09 -1.48 114.38 115.66 1a76 h ARG 243 Ca 0.01 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.73 1a76 h ARG 243 Cb 0.29 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.61 1a76 h ARG 243 CO 0.00 0.09 0.00 0.77 0.56 0.00 0.00 179.97 181.39 1a76 h SER 244 N 0.00 0.00 0.00 7.04 0.02 -1.18 -3.48 113.55 115.95 1a76 h SER 244 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1a76 h SER 244 Cb 0.27 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.81 1a76 h SER 244 CO 0.01 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.31 1a76 n GLY 245 N 1.25 0.48 0.00 -3.77 0.00 -0.56 -4.93 105.19 97.66 1a76 n GLY 245 Ca 0.05 -0.93 0.00 0.00 0.00 0.00 0.00 46.02 45.14 1a76 n GLY 245 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1a76 n VAL 246 N -3.06 0.23 -0.07 1.61 0.24 -1.08 -4.80 118.33 111.41 1a76 n VAL 246 Ca 0.00 -0.54 -0.08 0.00 -2.04 0.00 0.00 64.34 61.69 1a76 n VAL 246 Cb 0.10 1.00 -0.01 0.00 -1.47 0.00 0.00 33.84 33.46 1a76 n VAL 246 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1a76 h ALA 247 N 0.00 0.27 -0.61 2.33 0.00 -1.80 -2.33 119.26 117.11 1a76 h ALA 247 Ca 0.00 0.05 0.03 0.00 0.00 0.00 0.00 54.91 55.00 1a76 h ALA 247 Cb 0.22 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.03 1a76 h ALA 247 CO 0.00 -0.37 0.37 0.87 0.00 0.00 0.00 179.25 180.12 1a76 h LYS 248 N 0.14 0.69 -0.60 0.00 1.57 -1.90 -0.05 116.57 116.42 1a76 h LYS 248 Ca 0.12 -0.04 -0.03 0.00 -1.87 0.00 0.00 60.65 58.83 1a76 h LYS 248 Cb 0.13 -0.16 -0.03 0.00 0.08 0.00 0.00 32.23 32.26 1a76 h LYS 248 CO -0.16 0.46 0.24 -0.44 -0.57 0.00 0.00 179.45 178.97 1a76 h ASP 249 N 0.71 0.82 -0.63 0.86 3.32 -1.88 -1.73 116.42 117.89 1a76 h ASP 249 Ca 0.25 -0.17 -0.00 0.00 0.02 0.00 0.00 57.03 57.13 1a76 h ASP 249 Cb 0.06 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 39.37 1a76 h ASP 249 CO -0.12 0.77 0.38 0.58 -1.72 0.00 0.00 179.24 179.13 1a76 h VAL 250 N 0.83 1.19 -0.36 -1.35 2.07 -0.84 -2.70 116.25 115.09 1a76 h VAL 250 Ca 0.20 -0.42 -0.13 0.00 0.82 0.00 0.00 66.70 67.17 1a76 h VAL 250 Cb 0.20 0.32 -0.01 0.00 -1.52 0.00 0.00 31.29 30.28 1a76 h VAL 250 CO -0.02 0.19 -0.30 -0.07 0.02 0.00 0.00 177.57 177.40 1a76 h LEU 251 N 0.86 0.80 -1.06 2.57 4.07 -0.85 0.12 115.31 121.82 1a76 h LEU 251 Ca 0.23 -0.32 -0.01 0.00 0.08 0.00 0.00 57.88 57.86 1a76 h LEU 251 Cb -0.02 -0.22 -0.04 0.00 1.08 0.00 0.00 40.66 41.46 1a76 h LEU 251 CO -0.04 1.04 0.48 0.50 -1.08 0.00 0.00 178.44 179.34 1a76 h LYS 252 N 0.65 1.13 -0.02 1.13 1.63 -1.15 0.34 116.57 120.29 1a76 h LYS 252 Ca 0.08 -0.11 -0.06 0.00 -0.85 0.00 0.00 60.65 59.71 1a76 h LYS 252 Cb 0.83 -0.23 0.00 0.00 -0.60 0.00 0.00 32.23 32.23 1a76 h LYS 252 CO 0.07 0.81 -0.21 -0.22 -3.45 0.00 0.00 179.45 176.45 1a76 h LYS 253 N 1.15 0.18 0.00 1.90 3.64 -1.26 -3.37 116.57 118.81 1a76 h LYS 253 Ca 0.30 -0.16 -0.07 0.00 -1.27 0.00 0.00 60.65 59.44 1a76 h LYS 253 Cb -0.02 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 31.83 1a76 h LYS 253 CO -0.05 0.86 -0.49 0.93 -2.27 0.00 0.00 179.45 178.42 1a76 h GLU 254 N -0.44 0.00 -4.60 1.90 4.39 -0.63 -3.44 114.58 111.77 1a76 h GLU 254 Ca -0.02 0.00 -0.64 0.00 0.34 0.00 0.00 59.36 59.04 1a76 h GLU 254 Cb 0.91 0.00 -0.38 0.00 -0.10 0.00 0.00 28.75 29.18 1a76 h GLU 254 CO 0.04 0.30 -0.78 0.08 -1.16 0.00 0.00 179.01 177.49 1a76 s VAL 255 N -3.06 1.92 0.44 3.13 1.01 0.12 -5.01 120.40 118.95 1a76 s VAL 255 Ca 0.04 -1.65 -0.25 0.00 0.00 0.00 0.00 61.98 60.11 1a76 s VAL 255 Cb 0.07 -2.19 -0.08 0.00 0.00 0.00 0.00 36.38 34.18 1a76 s VAL 255 CO 0.73 -0.22 1.33 -0.70 0.00 0.00 0.00 175.10 176.25 1a76 s GLU 256 N 1.18 3.77 -1.45 2.72 2.12 -1.26 -2.17 118.70 123.61 1a76 s GLU 256 Ca -0.03 2.21 0.00 0.00 0.36 0.00 0.00 54.97 57.52 1a76 s GLU 256 Cb -0.19 -2.64 0.00 0.00 0.26 0.00 0.00 34.13 31.56 1a76 s GLU 256 CO -0.07 -0.68 0.00 0.66 -0.54 0.00 0.00 175.26 174.63 1a76 n TYR 257 N -0.15 -0.52 -0.25 5.30 4.01 -1.26 -4.89 117.16 119.39 1a76 n TYR 257 Ca 0.05 0.00 -0.01 0.00 -0.16 0.00 0.00 57.90 57.79 1a76 n TYR 257 Cb 0.44 -3.10 0.11 0.00 -0.31 0.00 0.00 39.34 36.48 1a76 n TYR 257 CO 0.00 0.00 0.00 -0.92 -0.46 0.00 0.00 176.86 175.48 1a76 h TYR 258 N 0.00 0.75 -0.19 -0.72 3.20 -1.75 -0.64 116.97 117.62 1a76 h TYR 258 Ca -0.36 0.03 -0.09 0.00 3.14 0.00 0.00 58.73 61.45 1a76 h TYR 258 Cb 1.20 -0.23 -0.01 0.00 1.54 0.00 0.00 36.73 39.23 1a76 h TYR 258 CO 0.43 0.35 -0.26 -0.44 -1.64 0.00 0.00 178.16 176.60 1a76 h ASP 259 N 0.74 0.36 -0.31 -2.11 3.32 -1.90 -2.23 116.42 114.29 1a76 h ASP 259 Ca 0.33 -0.12 -0.12 0.00 0.02 0.00 0.00 57.03 57.14 1a76 h ASP 259 Cb 0.21 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.66 1a76 h ASP 259 CO -0.19 0.62 -0.26 -0.33 -1.72 0.00 0.00 179.24 177.36 1a76 h GLU 260 N 0.32 0.72 -0.46 3.56 3.07 -1.70 -2.27 114.58 117.81 1a76 h GLU 260 Ca 0.05 -0.36 -0.02 0.00 -0.50 0.00 0.00 59.36 58.53 1a76 h GLU 260 Cb 0.63 0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 28.53 1a76 h GLU 260 CO 0.05 0.98 0.22 0.82 -1.40 0.00 0.00 179.01 179.67 1a76 h ILE 261 N 0.47 1.19 -0.51 3.13 2.04 -0.95 -2.27 117.51 120.61 1a76 h ILE 261 Ca 0.05 -0.54 0.05 0.00 1.00 0.00 0.00 64.86 65.42 1a76 h ILE 261 Cb 0.82 0.69 -0.05 0.00 -0.74 0.00 0.00 36.82 37.55 1a76 h ILE 261 CO 0.07 0.21 0.24 0.11 0.00 0.00 0.00 178.15 178.77 1a76 h LYS 262 N 0.61 0.45 0.00 2.37 1.57 -1.37 -1.49 116.57 118.70 1a76 h LYS 262 Ca 0.16 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.89 1a76 h LYS 262 Cb 0.13 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 32.34 1a76 h LYS 262 CO -0.02 0.29 -0.08 0.00 -0.57 0.00 0.00 179.45 179.07 1a76 h ARG 263 N 0.46 0.00 -0.75 3.15 3.08 -1.01 -0.43 114.38 118.88 1a76 h ARG 263 Ca 0.23 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.24 1a76 h ARG 263 Cb 0.17 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.19 1a76 h ARG 263 CO -0.18 0.08 0.33 0.82 -1.07 0.00 0.00 179.97 179.96 1a76 h ILE 264 N 0.00 1.25 0.15 2.04 2.04 -0.70 0.37 117.51 122.65 1a76 h ILE 264 Ca -0.00 -0.73 -0.30 0.00 1.00 0.00 0.00 64.86 64.83 1a76 h ILE 264 Cb 0.16 0.34 0.01 0.00 -0.74 0.00 0.00 36.82 36.58 1a76 h ILE 264 CO 0.01 0.30 -1.41 -0.26 0.00 0.00 0.00 178.15 176.79 1a76 h PHE 265 N 1.07 0.56 0.01 1.37 0.04 -1.24 -3.25 116.94 115.49 1a76 h PHE 265 Ca 0.25 -0.41 -0.25 0.00 2.80 0.00 0.00 57.97 60.37 1a76 h PHE 265 Cb 0.16 -0.02 -0.04 0.00 2.20 0.00 0.00 35.95 38.25 1a76 h PHE 265 CO 0.01 1.38 -1.33 0.87 -0.60 0.00 0.00 178.31 178.64 1a76 h LYS 266 N 0.08 0.01 -1.98 1.51 1.79 -1.07 -3.41 116.57 113.51 1a76 h LYS 266 Ca -0.20 -0.02 -0.53 0.00 -2.18 0.00 0.00 60.65 57.72 1a76 h LYS 266 Cb 2.02 0.01 -0.41 0.00 -1.58 0.00 0.00 32.23 32.27 1a76 h LYS 266 CO 0.20 0.78 -0.89 0.39 -1.08 0.00 0.00 179.45 178.85 1a76 n GLU 267 N -3.22 2.31 -1.76 3.15 4.71 0.13 -5.06 120.64 120.91 1a76 n GLU 267 Ca -0.08 -4.18 -0.31 0.00 -0.01 0.00 0.00 57.16 52.58 1a76 n GLU 267 Cb 0.99 -1.97 0.03 0.00 -1.01 0.00 0.00 31.44 29.48 1a76 n GLU 267 CO 0.00 0.00 0.00 -1.25 0.09 0.00 0.00 177.13 175.97 1a76 s PRO 268 N -3.10 3.33 -0.10 3.49 0.04 -1.22 -3.84 135.00 133.60 1a76 s PRO 268 Ca 0.44 0.84 -0.29 0.00 0.04 0.00 0.00 61.00 62.03 1a76 s PRO 268 Cb 0.33 -2.04 -0.01 0.00 0.04 0.00 0.00 34.50 32.82 1a76 s PRO 268 CO -0.11 -0.78 0.99 0.21 0.04 0.00 0.00 177.00 177.34 1a76 s LYS 269 N -5.10 4.42 0.40 4.56 2.20 -1.26 -4.78 119.74 120.19 1a76 s LYS 269 Ca 0.56 1.36 0.05 0.00 -0.36 0.00 0.00 55.97 57.58 1a76 s LYS 269 Cb -0.12 -3.54 -0.02 0.00 -1.51 0.00 0.00 37.83 32.64 1a76 s LYS 269 CO 0.54 -0.30 0.18 0.54 -0.36 0.00 0.00 175.35 175.96 1a76 s VAL 270 N 1.95 0.36 0.01 4.02 0.11 -1.26 -4.36 120.40 121.23 1a76 s VAL 270 Ca 0.48 -2.00 -0.11 0.00 -2.93 0.00 0.00 61.98 57.42 1a76 s VAL 270 Cb -0.18 -2.35 0.01 0.00 -1.53 0.00 0.00 36.38 32.33 1a76 s VAL 270 CO 0.18 0.00 0.23 0.28 -3.33 0.00 0.00 175.10 172.46 1a76 s THR 271 N -3.25 0.08 -1.27 5.04 -1.32 -1.26 -4.85 115.64 108.81 1a76 s THR 271 Ca 0.28 -0.69 0.14 0.00 -1.21 0.00 0.00 61.69 60.21 1a76 s THR 271 Cb 0.02 -0.69 -0.01 0.00 -1.51 0.00 0.00 72.50 70.30 1a76 s THR 271 CO 0.19 -0.38 0.78 0.47 -2.21 0.00 0.00 174.62 173.47 1a76 n ASP 272 N 1.06 1.45 -4.57 8.08 8.00 -1.26 -4.86 116.55 124.45 1a76 n ASP 272 Ca -0.21 -1.23 -0.41 0.00 0.71 0.00 0.00 54.79 53.66 1a76 n ASP 272 Cb 0.57 0.50 -0.02 0.00 -0.02 0.00 0.00 41.12 42.15 1a76 n ASP 272 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 1a76 s ASN 273 N -1.77 6.55 0.23 -2.24 2.47 -1.26 -4.87 114.94 114.06 1a76 s ASN 273 Ca 0.11 -1.95 -0.22 0.00 0.42 0.00 0.00 52.86 51.22 1a76 s ASN 273 Cb 0.11 -2.58 0.05 0.00 -1.45 0.00 0.00 41.25 37.38 1a76 s ASN 273 CO 0.37 -1.46 0.85 -0.72 -3.72 0.00 0.00 177.10 172.42 1a76 s TYR 274 N 5.08 -0.12 -0.01 0.43 -0.85 -1.26 -4.94 117.35 115.69 1a76 s TYR 274 Ca 0.52 -0.29 -0.02 0.00 -0.52 0.00 0.00 57.07 56.76 1a76 s TYR 274 Cb 0.02 0.69 -0.00 0.00 0.38 0.00 0.00 41.96 43.05 1a76 s TYR 274 CO 0.01 -1.07 0.04 0.45 -1.52 0.00 0.00 175.55 173.45 1a76 s SER 275 N -2.98 0.03 0.00 -0.18 0.15 -1.26 -5.02 113.70 104.44 1a76 s SER 275 Ca 0.13 -0.09 0.25 0.00 0.70 0.00 0.00 55.95 56.94 1a76 s SER 275 Cb -0.04 0.11 0.50 0.00 -1.71 0.00 0.00 66.02 64.89 1a76 s SER 275 CO 0.05 -0.13 1.43 0.18 1.20 0.00 0.00 173.24 175.98 1a76 n LEU 276 N 2.50 2.36 -4.77 3.45 4.32 -1.26 -4.73 117.00 118.88 1a76 n LEU 276 Ca -0.16 -0.79 -0.41 0.00 -0.02 0.00 0.00 56.01 54.63 1a76 n LEU 276 Cb 0.58 -0.00 -0.02 0.00 -1.62 0.00 0.00 43.42 42.36 1a76 n LEU 276 CO 0.23 0.40 1.06 -0.44 -1.22 0.00 0.00 177.39 177.41 1a76 s SER 277 N -2.04 6.62 0.07 -1.43 0.01 -1.26 -4.89 113.70 110.78 1a76 s SER 277 Ca 0.31 2.78 0.01 0.00 1.31 0.00 0.00 55.95 60.36 1a76 s SER 277 Cb 0.20 -2.65 -0.04 0.00 0.21 0.00 0.00 66.02 63.75 1a76 s SER 277 CO 0.33 -0.67 0.20 -0.76 0.41 0.00 0.00 173.24 172.75 1a76 s LEU 278 N -1.47 4.29 0.21 2.44 1.43 -1.26 -4.33 118.68 119.98 1a76 s LEU 278 Ca 0.53 0.23 0.09 0.00 -1.03 0.00 0.00 54.13 53.95 1a76 s LEU 278 Cb -0.42 -2.90 -0.05 0.00 0.03 0.00 0.00 46.19 42.85 1a76 s LEU 278 CO 0.53 0.16 -0.17 -0.54 0.23 0.00 0.00 176.35 176.56 1a76 s LYS 279 N -2.54 1.40 0.37 1.70 1.02 -0.08 -5.02 119.74 116.58 1a76 s LYS 279 Ca 0.34 -1.58 -0.28 0.00 0.02 0.00 0.00 55.97 54.47 1a76 s LYS 279 Cb -0.13 -1.35 -0.10 0.00 -0.52 0.00 0.00 37.83 35.73 1a76 s LYS 279 CO 0.27 0.25 1.32 -0.51 -0.92 0.00 0.00 175.35 175.76 1a76 s LEU 280 N -3.17 4.33 0.35 3.17 1.43 -1.26 -4.23 118.68 119.29 1a76 s LEU 280 Ca 0.22 2.70 -0.26 0.00 -1.03 0.00 0.00 54.13 55.76 1a76 s LEU 280 Cb -0.03 -3.76 -0.09 0.00 0.03 0.00 0.00 46.19 42.34 1a76 s LEU 280 CO 0.09 -0.69 1.09 -2.16 0.23 0.00 0.00 176.35 174.91 1a76 s PRO 281 N -2.01 4.33 -0.98 1.29 0.04 -1.26 -4.52 135.00 131.90 1a76 s PRO 281 Ca 0.52 1.69 -0.20 0.00 0.04 0.00 0.00 61.00 63.05 1a76 s PRO 281 Cb -0.39 -2.82 0.10 0.00 0.04 0.00 0.00 34.50 31.43 1a76 s PRO 281 CO 0.52 -0.03 1.26 0.34 0.04 0.00 0.00 177.00 179.12 1a76 s ASP 282 N -1.21 6.60 0.24 6.66 2.15 0.05 -4.87 116.67 126.29 1a76 s ASP 282 Ca 0.52 -1.88 -0.05 0.00 0.43 0.00 0.00 52.55 51.57 1a76 s ASP 282 Cb -0.28 -2.46 0.43 0.00 -0.30 0.00 0.00 42.92 40.31 1a76 s ASP 282 CO 0.35 -1.20 1.72 0.11 -0.17 0.00 0.00 175.17 175.97 1a76 h LYS 283 N 9.08 0.38 -0.30 4.34 1.57 -1.93 -1.75 116.57 127.96 1a76 h LYS 283 Ca 0.18 -0.02 -0.04 0.00 -1.87 0.00 0.00 60.65 58.90 1a76 h LYS 283 Cb 1.01 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 33.23 1a76 h LYS 283 CO 1.23 0.25 0.04 0.93 -0.57 0.00 0.00 179.45 181.33 1a76 h GLU 284 N 0.39 0.50 -0.47 3.15 3.07 -1.98 -2.26 114.58 116.97 1a76 h GLU 284 Ca 0.40 -0.14 -0.06 0.00 -0.50 0.00 0.00 59.36 59.06 1a76 h GLU 284 Cb 0.61 -0.06 -0.02 0.00 -0.84 0.00 0.00 28.75 28.44 1a76 h GLU 284 CO -0.42 0.61 0.04 0.78 -1.40 0.00 0.00 179.01 178.62 1a76 h GLY 285 N 0.32 0.81 0.94 -3.84 0.00 -1.88 -1.54 103.07 97.89 1a76 h GLY 285 Ca 0.09 -0.51 -0.06 0.00 0.00 0.00 0.00 47.33 46.85 1a76 h GLY 285 CO 0.01 0.47 -0.00 -2.22 0.00 0.00 0.00 176.54 174.80 1a76 h ILE 286 N 0.72 1.26 -0.42 2.60 2.04 -1.22 -0.84 117.51 121.65 1a76 h ILE 286 Ca 0.15 -1.01 0.00 0.00 1.00 0.00 0.00 64.86 65.00 1a76 h ILE 286 Cb 0.38 1.14 -0.02 0.00 -0.74 0.00 0.00 36.82 37.59 1a76 h ILE 286 CO 0.01 0.34 0.27 0.40 0.00 0.00 0.00 178.15 179.17 1a76 h ILE 287 N 0.52 1.11 -0.32 -0.67 2.04 -1.15 0.21 117.51 119.24 1a76 h ILE 287 Ca 0.11 -0.21 -0.02 0.00 1.00 0.00 0.00 64.86 65.74 1a76 h ILE 287 Cb 0.48 0.51 -0.01 0.00 -0.74 0.00 0.00 36.82 37.05 1a76 h ILE 287 CO 0.02 0.11 0.13 0.50 0.00 0.00 0.00 178.15 178.91 1a76 h LYS 288 N 0.56 0.48 0.25 2.37 3.64 -1.18 0.37 116.57 123.05 1a76 h LYS 288 Ca 0.15 -0.09 -0.01 0.00 -1.27 0.00 0.00 60.65 59.43 1a76 h LYS 288 Cb -0.06 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 31.69 1a76 h LYS 288 CO -0.03 0.48 -0.12 0.35 -2.27 0.00 0.00 179.45 177.86 1a76 h PHE 289 N 0.37 -0.31 0.18 1.91 3.57 -0.93 0.26 116.94 122.00 1a76 h PHE 289 Ca 0.11 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.59 1a76 h PHE 289 Cb 0.18 0.10 0.00 0.00 2.79 0.00 0.00 35.95 39.02 1a76 h PHE 289 CO -0.01 0.03 -0.09 -0.07 -2.23 0.00 0.00 178.31 175.94 1a76 h LEU 290 N -0.68 -0.21 0.02 0.59 4.07 -0.61 -1.68 115.31 116.82 1a76 h LEU 290 Ca -0.03 -0.32 -0.00 0.00 0.08 0.00 0.00 57.88 57.61 1a76 h LEU 290 Cb 0.47 0.05 0.00 0.00 1.08 0.00 0.00 40.66 42.27 1a76 h LEU 290 CO 0.06 0.33 -0.01 0.58 -1.08 0.00 0.00 178.44 178.31 1a76 h VAL 291 N -0.87 0.00 0.61 1.22 2.07 -0.45 0.74 116.25 119.56 1a76 h VAL 291 Ca -0.03 -0.98 -0.03 0.00 0.82 0.00 0.00 66.70 66.49 1a76 h VAL 291 Cb 0.51 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.29 1a76 h VAL 291 CO 0.04 0.00 -0.31 0.44 0.02 0.00 0.00 177.57 177.76 1a76 h ASP 292 N -1.00 -0.76 1.15 0.57 3.32 -1.13 -1.77 116.42 116.80 1a76 h ASP 292 Ca -0.00 0.03 -0.09 0.00 0.02 0.00 0.00 57.03 56.99 1a76 h ASP 292 Cb 0.02 0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.76 1a76 h ASP 292 CO 0.00 -0.52 -0.89 -0.33 -1.72 0.00 0.00 179.24 175.78 1a76 h GLU 293 N -0.85 0.00 0.00 3.56 5.08 -0.50 -3.39 114.58 118.49 1a76 h GLU 293 Ca -0.08 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 1a76 h GLU 293 Cb 0.66 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.91 1a76 h GLU 293 CO 0.12 0.26 -0.08 0.09 -1.00 0.00 0.00 179.01 178.40 1a76 n ASN 294 N -2.97 1.88 -2.53 1.42 3.02 -0.64 -4.92 115.26 110.52 1a76 n ASN 294 Ca -0.03 -2.75 -0.16 0.00 -0.03 0.00 0.00 54.58 51.61 1a76 n ASN 294 Cb 0.71 -0.34 -0.00 0.00 -0.61 0.00 0.00 39.78 39.54 1a76 n ASN 294 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1a76 n ASP 295 N -1.08 -4.54 -4.80 6.41 8.00 -0.66 -4.56 116.55 115.31 1a76 n ASP 295 Ca 0.11 0.07 -0.31 0.00 0.71 0.00 0.00 54.79 55.37 1a76 n ASP 295 Cb 0.61 -3.81 0.06 0.00 -0.02 0.00 0.00 41.12 37.95 1a76 n ASP 295 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1a76 s PHE 296 N -2.78 2.95 -0.02 1.24 0.40 0.19 -4.94 117.98 115.02 1a76 s PHE 296 Ca 0.05 1.46 -0.30 0.00 -0.60 0.00 0.00 56.93 57.54 1a76 s PHE 296 Cb -0.02 -2.94 -0.05 0.00 0.51 0.00 0.00 43.02 40.52 1a76 s PHE 296 CO 0.06 -1.39 1.42 1.21 0.70 0.00 0.00 175.22 177.22 1a76 s ASN 297 N -3.61 6.84 0.11 1.36 3.84 -1.26 -4.47 114.94 117.74 1a76 s ASN 297 Ca 0.59 2.09 -0.28 0.00 0.21 0.00 0.00 52.86 55.47 1a76 s ASN 297 Cb -0.15 -2.55 -0.10 0.00 -0.55 0.00 0.00 41.25 37.90 1a76 s ASN 297 CO 0.54 -0.75 1.63 0.22 -2.79 0.00 0.00 177.10 175.95 1a76 h TYR 298 N 8.08 -0.79 -0.37 0.43 3.20 -1.95 -1.53 116.97 124.05 1a76 h TYR 298 Ca -0.37 0.01 0.08 0.00 3.14 0.00 0.00 58.73 61.59 1a76 h TYR 298 Cb 1.17 0.32 -0.09 0.00 1.54 0.00 0.00 36.73 39.68 1a76 h TYR 298 CO 0.77 -0.41 -0.25 -0.44 -1.64 0.00 0.00 178.16 176.19 1a76 h ASP 299 N -0.55 -0.84 -0.43 -2.11 3.32 -1.99 0.25 116.42 114.06 1a76 h ASP 299 Ca 0.02 0.17 0.00 0.00 0.02 0.00 0.00 57.03 57.23 1a76 h ASP 299 Cb 0.55 0.42 -0.02 0.00 0.22 0.00 0.00 39.33 40.49 1a76 h ASP 299 CO -0.13 -0.28 0.29 -0.09 -1.72 0.00 0.00 179.24 177.31 1a76 h ARG 300 N -0.20 0.57 -0.17 3.56 2.43 -1.94 -1.17 114.38 117.47 1a76 h ARG 300 Ca 0.18 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.30 1a76 h ARG 300 Cb 0.48 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.89 1a76 h ARG 300 CO -0.48 0.38 0.05 0.28 -1.51 0.00 0.00 179.97 178.68 1a76 h VAL 301 N 0.59 1.20 -0.32 0.20 2.07 -0.66 -1.72 116.25 117.61 1a76 h VAL 301 Ca 0.16 -0.62 0.07 0.00 0.82 0.00 0.00 66.70 67.13 1a76 h VAL 301 Cb -0.07 1.28 -0.07 0.00 -1.52 0.00 0.00 31.29 30.92 1a76 h VAL 301 CO -0.03 0.19 -0.11 0.50 0.02 0.00 0.00 177.57 178.13 1a76 h LYS 302 N 0.09 -0.04 -0.88 1.57 1.63 -0.32 0.13 116.57 118.75 1a76 h LYS 302 Ca 0.05 0.00 0.05 0.00 -0.85 0.00 0.00 60.65 59.91 1a76 h LYS 302 Cb 0.25 0.01 -0.06 0.00 -0.60 0.00 0.00 32.23 31.83 1a76 h LYS 302 CO -0.00 -0.03 0.56 -0.22 -3.45 0.00 0.00 179.45 176.31 1a76 h LYS 303 N -0.05 1.02 -0.04 1.90 3.64 -1.10 -2.04 116.57 119.91 1a76 h LYS 303 Ca 0.16 -0.06 -0.22 0.00 -1.27 0.00 0.00 60.65 59.26 1a76 h LYS 303 Cb 0.29 -0.23 0.00 0.00 -0.41 0.00 0.00 32.23 31.88 1a76 h LYS 303 CO -0.36 0.68 -0.87 0.45 -2.27 0.00 0.00 179.45 177.08 1a76 h HIS 304 N 1.06 0.70 0.00 1.91 3.86 -0.28 -2.22 115.15 120.17 1a76 h HIS 304 Ca 0.37 -0.35 -0.09 0.00 -1.16 0.00 0.00 60.37 59.14 1a76 h HIS 304 Cb 0.09 -0.09 -0.01 0.00 1.06 0.00 0.00 27.41 28.46 1a76 h HIS 304 CO -0.02 1.16 -0.41 -0.39 0.86 0.00 0.00 177.93 179.12 1a76 h VAL 305 N 0.30 1.28 -0.32 2.45 -1.51 -0.59 0.35 116.25 118.21 1a76 h VAL 305 Ca -0.07 -1.43 -0.18 0.00 -1.23 0.00 0.00 66.70 63.79 1a76 h VAL 305 Cb 1.49 1.78 -0.00 0.00 -2.13 0.00 0.00 31.29 32.43 1a76 h VAL 305 CO 0.16 0.41 -0.49 0.44 -1.23 0.00 0.00 177.57 176.85 1a76 h ASP 306 N 0.00 0.96 -0.30 4.19 3.32 -1.33 -1.13 116.42 122.14 1a76 h ASP 306 Ca -0.00 -0.49 -0.17 0.00 0.02 0.00 0.00 57.03 56.39 1a76 h ASP 306 Cb 0.74 -0.27 -0.00 0.00 0.22 0.00 0.00 39.33 40.02 1a76 h ASP 306 CO 0.05 1.28 -0.46 0.11 -1.72 0.00 0.00 179.24 178.51 1a76 h LYS 307 N 0.69 0.87 -0.47 3.56 1.57 -0.86 -2.63 116.57 119.29 1a76 h LYS 307 Ca 0.03 -0.50 -0.02 0.00 -1.87 0.00 0.00 60.65 58.29 1a76 h LYS 307 Cb 1.09 0.04 -0.02 0.00 0.08 0.00 0.00 32.23 33.42 1a76 h LYS 307 CO 0.11 1.14 0.22 1.25 -0.57 0.00 0.00 179.45 181.60 1a76 h LEU 308 N 0.69 0.63 -0.21 2.94 5.85 -0.23 -1.35 115.31 123.62 1a76 h LEU 308 Ca 0.04 -0.13 0.03 0.00 0.84 0.00 0.00 57.88 58.66 1a76 h LEU 308 Cb 1.05 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.89 1a76 h LEU 308 CO 0.11 0.59 0.02 0.22 -0.34 0.00 0.00 178.44 179.03 1a76 h TYR 309 N 0.62 0.02 -0.36 1.25 5.03 -1.15 -1.90 116.97 120.48 1a76 h TYR 309 Ca 0.16 0.01 -0.08 0.00 2.58 0.00 0.00 58.73 61.41 1a76 h TYR 309 Cb 0.13 0.02 -0.02 0.00 1.55 0.00 0.00 36.73 38.42 1a76 h TYR 309 CO -0.01 -0.01 -0.09 -0.91 -1.32 0.00 0.00 178.16 175.82 1a76 h ASN 310 N 0.09 0.60 -0.00 -2.11 2.35 -1.29 0.22 115.58 115.44 1a76 h ASN 310 Ca 0.10 -0.16 -0.00 0.00 -0.55 0.00 0.00 56.30 55.69 1a76 h ASN 310 Cb 0.11 -0.16 -0.00 0.00 0.05 0.00 0.00 38.32 38.32 1a76 h ASN 310 CO -0.15 0.74 0.00 -0.07 -1.65 0.00 0.00 177.43 176.30 1a76 h LEU 311 N 0.58 0.01 -0.54 1.61 3.38 -0.94 0.23 115.31 119.63 1a76 h LEU 311 Ca 0.11 -0.16 -0.10 0.00 0.09 0.00 0.00 57.88 57.81 1a76 h LEU 311 Cb 0.51 -0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.24 1a76 h LEU 311 CO 0.03 0.17 -0.05 0.40 0.09 0.00 0.00 178.44 179.08 1a76 h ILE 312 N -0.16 1.27 -0.43 1.22 2.04 -1.20 0.98 117.51 121.23 1a76 h ILE 312 Ca 0.00 -1.18 0.03 0.00 1.00 0.00 0.00 64.86 64.71 1a76 h ILE 312 Cb 0.16 0.95 -0.03 0.00 -0.74 0.00 0.00 36.82 37.16 1a76 h ILE 312 CO -0.00 0.42 0.23 0.00 0.00 0.00 0.00 178.15 178.80 1a76 h ALA 313 N 0.94 0.54 -0.11 1.87 0.00 -0.38 0.62 119.26 122.73 1a76 h ALA 313 Ca 0.15 0.01 -0.22 0.00 0.00 0.00 0.00 54.91 54.84 1a76 h ALA 313 Cb 0.60 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.32 1a76 h ALA 313 CO 0.04 -0.12 -0.79 -0.91 0.00 0.00 0.00 179.25 177.47 1a76 h ASN 314 N 0.46 0.89 0.22 0.00 -0.26 -0.30 -3.20 115.58 113.39 1a76 h ASN 314 Ca 0.18 -0.66 -0.00 0.00 -0.56 0.00 0.00 56.30 55.26 1a76 h ASN 314 Cb 0.06 -0.27 -0.01 0.00 -1.06 0.00 0.00 38.32 37.05 1a76 h ASN 314 CO -0.11 1.41 -0.16 0.50 -1.06 0.00 0.00 177.43 178.01 1a76 h LYS 315 N 0.45 -0.37 0.00 0.81 3.64 0.13 -3.51 116.57 117.72 1a76 h LYS 315 Ca -0.07 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 1a76 h LYS 315 Cb 1.43 0.08 0.00 0.00 -0.41 0.00 0.00 32.23 33.34 1a76 h LYS 315 CO 0.16 -0.25 0.00 2.41 -2.27 0.00 0.00 179.45 179.50