#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3b78 s ALA 3 N 0.00 3.74 0.27 1.55 0.00 -1.26 -1.72 121.76 124.34 3b78 s ALA 3 Ca 0.00 -0.66 0.11 0.00 0.00 0.00 0.00 51.96 51.41 3b78 s ALA 3 Cb 0.00 -2.13 -0.05 0.00 0.00 0.00 0.00 23.12 20.94 3b78 s ALA 3 CO 0.00 0.29 -0.18 -0.06 0.00 0.00 0.00 175.76 175.81 3b78 s PHE 4 N -0.03 2.16 0.57 0.00 0.08 -1.04 -4.85 117.98 114.86 3b78 s PHE 4 Ca 0.10 -0.40 0.00 0.00 0.12 0.00 0.00 56.93 56.76 3b78 s PHE 4 Cb -0.11 -0.97 0.04 0.00 -0.57 0.00 0.00 43.02 41.40 3b78 s PHE 4 CO 0.00 0.63 0.80 0.95 -0.10 0.00 0.00 175.22 177.50 3b78 s THR 5 N -2.62 2.62 0.40 0.64 -4.23 -1.26 -1.37 115.64 109.82 3b78 s THR 5 Ca 0.28 -0.62 0.08 0.00 -1.18 0.00 0.00 61.69 60.25 3b78 s THR 5 Cb -0.04 -3.00 0.21 0.00 1.34 0.00 0.00 72.50 71.02 3b78 s THR 5 CO 0.13 0.00 1.99 0.58 -0.54 0.00 0.00 174.62 176.79 3b78 h VAL 6 N -0.00 1.13 -0.30 2.29 2.07 -1.96 -1.18 116.25 118.29 3b78 h VAL 6 Ca -0.42 -0.45 -0.06 0.00 0.82 0.00 0.00 66.70 66.59 3b78 h VAL 6 Cb 1.30 0.85 -0.01 0.00 -1.52 0.00 0.00 31.29 31.91 3b78 h VAL 6 CO 0.53 0.16 -0.03 0.44 0.02 0.00 0.00 177.57 178.69 3b78 h ASP 7 N 0.39 0.55 -0.37 0.57 3.32 -1.99 -0.86 116.42 118.02 3b78 h ASP 7 Ca 0.09 -0.33 -0.10 0.00 0.02 0.00 0.00 57.03 56.71 3b78 h ASP 7 Cb 0.14 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.53 3b78 h ASP 7 CO -0.00 0.75 -0.11 1.56 -1.72 0.00 0.00 179.24 179.71 3b78 h GLN 8 N 0.33 0.82 -0.30 3.56 4.20 -1.84 -1.33 115.11 120.55 3b78 h GLN 8 Ca 0.08 -0.28 -0.11 0.00 0.06 0.00 0.00 58.65 58.41 3b78 h GLN 8 Cb 0.49 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.20 3b78 h GLN 8 CO 0.02 0.89 -0.22 0.52 -0.67 0.00 0.00 178.83 179.37 3b78 h MET 9 N 0.74 0.69 -0.18 1.46 2.86 -1.18 -1.81 114.93 117.50 3b78 h MET 9 Ca 0.12 -0.33 -0.01 0.00 -2.06 0.00 0.00 59.70 57.42 3b78 h MET 9 Cb 0.61 -0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.26 3b78 h MET 9 CO 0.04 0.94 0.07 -0.09 1.06 0.00 0.00 176.91 178.93 3b78 h ARG 10 N 0.44 0.28 0.00 1.72 9.65 -1.03 -0.18 114.38 125.25 3b78 h ARG 10 Ca 0.06 -0.05 -0.03 0.00 -1.10 0.00 0.00 59.98 58.86 3b78 h ARG 10 Cb 0.77 -0.04 -0.00 0.00 -1.39 0.00 0.00 29.97 29.30 3b78 h ARG 10 CO 0.06 0.34 -0.16 0.66 2.80 0.00 0.00 179.97 183.68 3b78 h SER 11 N 0.15 0.00 0.78 -3.80 4.64 -1.26 -1.50 113.55 112.55 3b78 h SER 11 Ca 0.06 0.00 -0.21 0.00 -0.47 0.00 0.00 61.79 61.17 3b78 h SER 11 Cb 0.17 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.24 3b78 h SER 11 CO -0.01 0.16 -0.99 0.25 -0.87 0.00 0.00 176.83 175.37 3b78 h LEU 12 N 0.00 0.16 -0.24 5.97 5.85 -0.88 -3.15 115.31 123.02 3b78 h LEU 12 Ca -0.00 -0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.57 3b78 h LEU 12 Cb 0.35 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.33 3b78 h LEU 12 CO 0.02 1.05 0.00 0.24 -0.34 0.00 0.00 178.44 179.41 3b78 h MET 13 N 0.05 0.00 0.00 1.25 2.86 -0.11 -3.18 114.93 115.79 3b78 h MET 13 Ca -0.05 0.00 -0.08 0.00 -2.06 0.00 0.00 59.70 57.52 3b78 h MET 13 Cb 1.69 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 33.34 3b78 h MET 13 CO 0.14 0.00 -0.37 0.22 1.06 0.00 0.00 176.91 177.97 3b78 h ASP 14 N 0.00 0.00 -3.38 1.22 -0.00 -1.27 -3.36 116.42 109.63 3b78 h ASP 14 Ca 0.00 0.00 -0.78 0.00 -0.00 0.00 0.00 57.03 56.25 3b78 h ASP 14 Cb 0.74 0.00 -0.25 0.00 -0.00 0.00 0.00 39.33 39.81 3b78 h ASP 14 CO 0.00 0.37 0.48 -0.54 -0.00 0.00 0.00 179.24 179.55 3b78 s LYS 15 N -3.57 3.95 0.45 0.28 1.02 -1.20 -4.86 119.74 115.81 3b78 s LYS 15 Ca 0.00 -2.79 0.23 0.00 0.02 0.00 0.00 55.97 53.44 3b78 s LYS 15 Cb 0.11 -4.61 1.02 0.00 -0.52 0.00 0.00 37.83 33.83 3b78 s LYS 15 CO 0.68 -1.36 1.88 0.28 -0.92 0.00 0.00 175.35 175.91 3b78 h VAL 16 N 4.31 0.65 0.00 3.17 2.07 -1.84 -1.96 116.25 122.66 3b78 h VAL 16 Ca 0.17 -1.04 -0.01 0.00 0.82 0.00 0.00 66.70 66.65 3b78 h VAL 16 Cb 0.94 1.67 -0.00 0.00 -1.52 0.00 0.00 31.29 32.38 3b78 h VAL 16 CO 0.97 0.23 -0.03 0.71 0.02 0.00 0.00 177.57 179.47 3b78 h THR 17 N 0.00 0.47 -0.64 2.57 1.35 -1.89 -1.82 112.91 112.96 3b78 h THR 17 Ca -0.00 -0.12 -0.33 0.00 -0.55 0.00 0.00 66.41 65.40 3b78 h THR 17 Cb 0.66 1.08 -0.20 0.00 -1.73 0.00 0.00 68.15 67.96 3b78 h THR 17 CO 0.03 0.03 0.24 0.59 -0.25 0.00 0.00 175.52 176.15 3b78 n ASN 18 N -3.71 3.02 -4.56 5.36 4.13 -0.74 -4.73 115.26 114.04 3b78 n ASN 18 Ca -0.03 -3.72 -0.31 0.00 1.68 0.00 0.00 54.58 52.20 3b78 n ASN 18 Cb 0.12 -0.73 -0.11 0.00 -1.54 0.00 0.00 39.78 37.52 3b78 n ASN 18 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 3b78 s VAL 19 N -3.28 3.37 -0.26 2.41 1.01 -0.68 -1.01 120.40 121.96 3b78 s VAL 19 Ca 0.50 -1.02 -0.01 0.00 0.00 0.00 0.00 61.98 61.45 3b78 s VAL 19 Cb 0.44 -2.49 0.08 0.00 0.00 0.00 0.00 36.38 34.41 3b78 s VAL 19 CO 0.04 0.29 0.05 -0.13 0.00 0.00 0.00 175.10 175.36 3b78 s ARG 20 N -1.68 0.85 -0.44 2.72 1.81 0.21 -4.08 118.95 118.34 3b78 s ARG 20 Ca 0.18 -0.86 -0.22 0.00 -1.72 0.00 0.00 55.73 53.11 3b78 s ARG 20 Cb -0.11 -2.15 0.02 0.00 -0.45 0.00 0.00 34.95 32.27 3b78 s ARG 20 CO 0.09 -0.81 0.70 -0.80 -0.68 0.00 0.00 175.30 173.80 3b78 s ASN 21 N 1.65 6.36 0.12 0.23 0.01 -1.26 0.34 114.94 122.39 3b78 s ASN 21 Ca 0.04 -0.24 -0.10 0.00 -0.71 0.00 0.00 52.86 51.84 3b78 s ASN 21 Cb -0.17 -2.34 0.00 0.00 0.41 0.00 0.00 41.25 39.14 3b78 s ASN 21 CO -0.16 -0.83 0.27 0.00 -1.51 0.00 0.00 177.10 174.87 3b78 s MET 22 N 3.00 1.00 0.38 -0.60 0.23 -0.57 0.27 119.30 123.00 3b78 s MET 22 Ca 0.25 -0.99 0.04 0.00 -1.03 0.00 0.00 55.69 53.97 3b78 s MET 22 Cb -0.13 0.38 -0.03 0.00 -1.53 0.00 0.00 34.83 33.52 3b78 s MET 22 CO 0.20 -0.36 0.15 -1.54 -2.03 0.00 0.00 175.02 171.45 3b78 s SER 23 N -2.89 2.40 -0.31 -1.18 1.04 -1.11 -1.07 113.70 110.58 3b78 s SER 23 Ca 0.09 -1.65 -0.03 0.00 0.48 0.00 0.00 55.95 54.83 3b78 s SER 23 Cb 0.04 0.46 0.04 0.00 0.10 0.00 0.00 66.02 66.66 3b78 s SER 23 CO -0.07 -0.93 0.03 -0.69 0.98 0.00 0.00 173.24 172.57 3b78 s VAL 24 N -3.32 3.27 -0.59 5.02 1.01 -1.26 -1.17 120.40 123.36 3b78 s VAL 24 Ca 0.29 -1.27 -0.22 0.00 0.00 0.00 0.00 61.98 60.78 3b78 s VAL 24 Cb 0.03 -2.86 0.06 0.00 0.00 0.00 0.00 36.38 33.62 3b78 s VAL 24 CO 0.17 -0.11 0.85 -0.63 0.00 0.00 0.00 175.10 175.38 3b78 s ILE 25 N 1.31 4.52 -0.10 2.22 1.01 -0.07 -4.86 121.20 125.23 3b78 s ILE 25 Ca -0.04 -0.29 -0.30 0.00 0.00 0.00 0.00 60.65 60.02 3b78 s ILE 25 Cb -0.19 -4.54 0.07 0.00 0.01 0.00 0.00 42.46 37.81 3b78 s ILE 25 CO 0.00 -1.18 0.70 0.00 0.00 0.00 0.00 174.94 174.46 3b78 s ALA 26 N 3.55 -1.78 0.22 9.38 0.00 -1.26 -1.56 121.76 130.31 3b78 s ALA 26 Ca 0.22 1.48 -0.30 0.00 0.00 0.00 0.00 51.96 53.35 3b78 s ALA 26 Cb -0.17 -0.27 -0.08 0.00 0.00 0.00 0.00 23.12 22.59 3b78 s ALA 26 CO 0.13 -0.36 1.05 -1.58 0.00 0.00 0.00 175.76 175.00 3b78 s HIS 27 N -0.86 3.69 0.52 0.00 2.46 -1.26 -4.91 115.29 114.93 3b78 s HIS 27 Ca -0.08 1.72 0.26 0.00 0.47 0.00 0.00 55.06 57.43 3b78 s HIS 27 Cb -0.01 -3.20 1.38 0.00 -0.13 0.00 0.00 32.58 30.62 3b78 s HIS 27 CO 0.08 -0.29 1.94 -0.39 -2.47 0.00 0.00 174.74 173.61 3b78 h VAL 28 N 3.41 0.67 -0.31 0.89 -1.51 -1.97 0.59 116.25 118.02 3b78 h VAL 28 Ca -0.45 -0.02 0.00 0.00 -1.23 0.00 0.00 66.70 65.00 3b78 h VAL 28 Cb 1.21 0.60 0.00 0.00 -2.13 0.00 0.00 31.29 30.97 3b78 h VAL 28 CO 0.70 0.01 0.00 0.47 -1.23 0.00 0.00 177.57 177.52 3b78 n ASP 29 N -4.35 1.86 -1.17 4.19 8.00 -1.26 -3.38 116.55 120.44 3b78 n ASP 29 Ca 0.14 -2.05 -0.06 0.00 0.71 0.00 0.00 54.79 53.54 3b78 n ASP 29 Cb 0.74 -0.26 0.16 0.00 -0.02 0.00 0.00 41.12 41.74 3b78 n ASP 29 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 3b78 n HIS 30 N 0.41 1.08 -3.11 1.24 8.25 0.20 -4.97 115.22 118.32 3b78 n HIS 30 Ca 0.11 -1.75 -0.13 0.00 -0.26 0.00 0.00 57.72 55.68 3b78 n HIS 30 Cb 0.32 -0.40 0.07 0.00 1.12 0.00 0.00 29.99 31.09 3b78 n HIS 30 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3b78 n GLY 31 N -1.03 -0.18 0.13 -1.41 0.00 -1.22 -4.90 105.19 96.59 3b78 n GLY 31 Ca 0.31 -0.03 -0.11 0.00 0.00 0.00 0.00 46.02 46.19 3b78 n GLY 31 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3b78 h LYS 32 N -1.47 -0.21 -0.36 1.61 3.64 -1.70 -2.59 116.57 115.49 3b78 h LYS 32 Ca -0.46 0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 58.90 3b78 h LYS 32 Cb 1.26 0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 33.11 3b78 h LYS 32 CO 0.39 0.23 0.06 0.66 -2.27 0.00 0.00 179.45 178.51 3b78 h SER 33 N -0.84 0.50 0.06 4.20 4.64 -1.92 -2.05 113.55 118.14 3b78 h SER 33 Ca -0.02 -0.08 -0.00 0.00 -0.47 0.00 0.00 61.79 61.22 3b78 h SER 33 Cb 0.53 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 62.49 3b78 h SER 33 CO 0.04 0.53 -0.03 0.74 -0.87 0.00 0.00 176.83 177.23 3b78 h THR 34 N 0.52 1.02 -0.41 2.95 2.02 -1.94 -1.93 112.91 115.14 3b78 h THR 34 Ca 0.12 -0.25 -0.04 0.00 0.77 0.00 0.00 66.41 67.01 3b78 h THR 34 Cb 0.25 1.18 -0.02 0.00 -1.74 0.00 0.00 68.15 67.83 3b78 h THR 34 CO 0.00 0.06 0.11 -0.07 0.37 0.00 0.00 175.52 175.99 3b78 h LEU 35 N -0.20 0.62 -1.32 2.58 3.38 -1.29 -2.71 115.31 116.37 3b78 h LEU 35 Ca -0.01 -0.23 0.01 0.00 0.09 0.00 0.00 57.88 57.74 3b78 h LEU 35 Cb 0.17 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 3b78 h LEU 35 CO 0.01 0.69 0.46 0.71 0.09 0.00 0.00 178.44 180.40 3b78 h THR 36 N 0.53 1.17 -0.24 0.22 1.35 -1.36 -1.03 112.91 113.56 3b78 h THR 36 Ca 0.13 -0.32 -0.04 0.00 -0.55 0.00 0.00 66.41 65.63 3b78 h THR 36 Cb 0.30 0.16 -0.01 0.00 -1.73 0.00 0.00 68.15 66.87 3b78 h THR 36 CO 0.00 0.17 -0.04 0.44 -0.25 0.00 0.00 175.52 175.84 3b78 h ASP 37 N 0.93 0.34 -0.29 5.36 3.32 -1.09 -1.71 116.42 123.29 3b78 h ASP 37 Ca 0.25 -0.06 -0.02 0.00 0.02 0.00 0.00 57.03 57.22 3b78 h ASP 37 Cb -0.10 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.35 3b78 h ASP 37 CO -0.06 0.43 0.09 0.28 -1.72 0.00 0.00 179.24 178.26 3b78 h SER 38 N 0.35 0.42 -0.52 6.45 0.02 -0.89 0.15 113.55 119.52 3b78 h SER 38 Ca 0.08 -0.20 -0.03 0.00 -0.84 0.00 0.00 61.79 60.79 3b78 h SER 38 Cb 0.30 -0.11 -0.02 0.00 0.14 0.00 0.00 62.40 62.71 3b78 h SER 38 CO 0.01 0.51 0.20 -0.07 -1.14 0.00 0.00 176.83 176.34 3b78 h LEU 39 N 0.30 0.73 -0.91 5.07 3.38 -1.17 -0.35 115.31 122.37 3b78 h LEU 39 Ca 0.09 -0.18 -0.10 0.00 0.09 0.00 0.00 57.88 57.79 3b78 h LEU 39 Cb 0.24 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 3b78 h LEU 39 CO -0.00 0.71 -0.26 0.58 0.09 0.00 0.00 178.44 179.56 3b78 h VAL 40 N 0.71 1.27 -0.04 1.22 2.07 -1.22 0.15 116.25 120.41 3b78 h VAL 40 Ca 0.17 -1.29 -0.15 0.00 0.82 0.00 0.00 66.70 66.25 3b78 h VAL 40 Cb 0.21 1.36 -0.01 0.00 -1.52 0.00 0.00 31.29 31.33 3b78 h VAL 40 CO -0.01 0.41 -0.66 -0.61 0.02 0.00 0.00 177.57 176.72 3b78 h GLN 41 N 0.43 0.17 0.05 1.57 5.75 -0.32 -0.26 115.11 122.50 3b78 h GLN 41 Ca 0.06 -0.13 -0.29 0.00 -0.15 0.00 0.00 58.65 58.14 3b78 h GLN 41 Cb 0.69 0.02 -0.03 0.00 1.07 0.00 0.00 27.48 29.23 3b78 h GLN 41 CO 0.05 0.76 -1.60 -2.13 -2.65 0.00 0.00 178.83 173.26 3b78 n ARG 42 N -3.81 0.65 -0.00 1.69 3.00 -0.17 -4.62 116.66 113.39 3b78 n ARG 42 Ca -0.02 0.44 0.00 0.00 -0.00 0.00 0.00 57.85 58.27 3b78 n ARG 42 Cb 0.65 -1.73 0.00 0.00 0.00 0.00 0.00 32.46 31.39 3b78 n ARG 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3b78 n ALA 43 N -3.26 2.45 -1.56 5.13 0.00 0.52 -4.83 120.51 118.95 3b78 n ALA 43 Ca -0.33 -0.55 -0.51 0.00 0.00 0.00 0.00 53.44 52.05 3b78 n ALA 43 Cb 0.84 -0.02 -0.05 0.00 0.00 0.00 0.00 19.45 20.22 3b78 n ALA 43 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3b78 n GLY 44 N -0.02 0.08 3.41 0.00 0.00 -0.11 -1.67 105.19 106.88 3b78 n GLY 44 Ca 0.00 0.62 -0.43 0.00 0.00 0.00 0.00 46.02 46.22 3b78 n GLY 44 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3b78 s ILE 45 N 0.06 5.05 0.43 -0.61 1.01 -0.56 -1.45 121.20 125.14 3b78 s ILE 45 Ca 0.80 -0.89 0.00 0.00 0.00 0.00 0.00 60.65 60.56 3b78 s ILE 45 Cb -0.95 -3.90 -0.01 0.00 0.01 0.00 0.00 42.46 37.60 3b78 s ILE 45 CO 0.51 -0.40 0.65 0.27 0.00 0.00 0.00 174.94 175.97 3b78 s ILE 46 N 1.63 4.23 -0.03 2.92 -4.36 -0.70 -4.76 121.20 120.13 3b78 s ILE 46 Ca 0.04 -0.46 -0.12 0.00 -0.26 0.00 0.00 60.65 59.85 3b78 s ILE 46 Cb -0.21 -3.56 -0.05 0.00 1.25 0.00 0.00 42.46 39.89 3b78 s ILE 46 CO 0.08 -0.40 0.33 -0.55 0.24 0.00 0.00 174.94 174.64 3b78 s SER 47 N -4.18 6.68 -0.84 4.36 0.15 -1.26 -2.51 113.70 116.10 3b78 s SER 47 Ca 0.47 0.81 0.01 0.00 0.70 0.00 0.00 55.95 57.94 3b78 s SER 47 Cb -0.10 -2.19 0.31 0.00 -1.71 0.00 0.00 66.02 62.33 3b78 s SER 47 CO 0.38 0.34 1.30 0.00 1.20 0.00 0.00 173.24 176.46 3b78 n ALA 48 N 1.82 5.11 -1.06 5.45 0.00 -0.47 -4.83 120.51 126.53 3b78 n ALA 48 Ca -0.15 -4.71 0.09 0.00 0.00 0.00 0.00 53.44 48.66 3b78 n ALA 48 Cb 0.53 -1.56 0.18 0.00 0.00 0.00 0.00 19.45 18.60 3b78 n ALA 48 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3b78 n GLY 67 N 0.35 4.60 3.59 0.00 0.00 -1.26 -4.67 105.19 107.80 3b78 n GLY 67 Ca 0.35 -1.11 -0.43 0.00 0.00 0.00 0.00 46.02 44.83 3b78 n GLY 67 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3b78 s ILE 68 N -2.87 4.62 0.13 -0.61 1.01 -1.26 -5.02 121.20 117.19 3b78 s ILE 68 Ca 0.36 1.03 0.03 0.00 0.00 0.00 0.00 60.65 62.06 3b78 s ILE 68 Cb 0.30 -4.31 -0.04 0.00 0.01 0.00 0.00 42.46 38.43 3b78 s ILE 68 CO 0.05 -0.54 0.21 0.42 0.00 0.00 0.00 174.94 175.08 3b78 s THR 69 N 3.39 5.03 0.32 2.92 -4.23 -1.26 -3.80 115.64 117.99 3b78 s THR 69 Ca 0.36 -0.76 0.03 0.00 -1.18 0.00 0.00 61.69 60.14 3b78 s THR 69 Cb -0.12 -3.55 -0.05 0.00 1.34 0.00 0.00 72.50 70.13 3b78 s THR 69 CO 0.19 -0.04 0.11 0.27 -0.54 0.00 0.00 174.62 174.61 3b78 s ILE 70 N -1.68 0.67 -0.27 2.99 -4.36 -0.02 -1.67 121.20 116.87 3b78 s ILE 70 Ca 0.33 -2.00 -0.29 0.00 -0.26 0.00 0.00 60.65 58.43 3b78 s ILE 70 Cb -0.11 -2.59 0.01 0.00 1.25 0.00 0.00 42.46 41.02 3b78 s ILE 70 CO 0.26 0.00 1.06 -0.75 0.24 0.00 0.00 174.94 175.76 3b78 s LYS 71 N -3.88 4.17 -0.29 0.37 2.20 -1.10 -4.63 119.74 116.59 3b78 s LYS 71 Ca 0.34 1.25 -0.35 0.00 -0.36 0.00 0.00 55.97 56.85 3b78 s LYS 71 Cb 0.06 -3.69 -0.11 0.00 -1.51 0.00 0.00 37.83 32.58 3b78 s LYS 71 CO 0.15 -0.75 2.10 0.45 -0.36 0.00 0.00 175.35 176.94 3b78 n SER 72 N 6.57 2.48 -0.01 1.43 2.88 -1.25 -4.79 113.62 120.93 3b78 n SER 72 Ca 0.12 0.55 0.00 0.00 -1.33 0.00 0.00 58.87 58.21 3b78 n SER 72 Cb 0.46 -1.29 -0.03 0.00 -0.75 0.00 0.00 64.21 62.60 3b78 n SER 72 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 3b78 n THR 73 N 6.66 0.14 -3.62 2.46 -1.04 -1.25 -4.91 114.28 112.71 3b78 n THR 73 Ca 0.36 -0.14 -0.12 0.00 -2.04 0.00 0.00 64.05 62.11 3b78 n THR 73 Cb 0.25 -0.25 -0.05 0.00 -1.82 0.00 0.00 70.33 68.46 3b78 n THR 73 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3b78 s ALA 74 N -2.20 -1.05 -0.01 2.41 0.00 -1.26 -1.70 121.76 117.95 3b78 s ALA 74 Ca -0.02 0.18 0.01 0.00 0.00 0.00 0.00 51.96 52.13 3b78 s ALA 74 Cb 0.02 0.56 0.01 0.00 0.00 0.00 0.00 23.12 23.71 3b78 s ALA 74 CO 0.17 -0.58 -0.02 0.42 0.00 0.00 0.00 175.76 175.76 3b78 s ILE 75 N -3.22 0.19 -0.12 0.00 1.01 0.53 -0.98 121.20 118.61 3b78 s ILE 75 Ca -0.01 -0.06 -0.14 0.00 0.00 0.00 0.00 60.65 60.45 3b78 s ILE 75 Cb 0.01 -0.20 -0.05 0.00 0.01 0.00 0.00 42.46 42.23 3b78 s ILE 75 CO -0.08 0.08 0.31 -0.44 0.00 0.00 0.00 174.94 174.81 3b78 s SER 76 N 0.21 6.52 0.13 3.58 0.01 -1.26 -0.34 113.70 122.55 3b78 s SER 76 Ca -0.02 0.62 0.10 0.00 1.31 0.00 0.00 55.95 57.96 3b78 s SER 76 Cb -0.04 -2.19 -0.04 0.00 0.21 0.00 0.00 66.02 63.96 3b78 s SER 76 CO -0.01 0.17 -0.25 -0.76 0.41 0.00 0.00 173.24 172.80 3b78 s LEU 77 N 0.03 2.32 0.01 2.44 1.02 0.12 -1.49 118.68 123.12 3b78 s LEU 77 Ca 0.19 -0.74 0.07 0.00 0.02 0.00 0.00 54.13 53.67 3b78 s LEU 77 Cb -0.14 -1.12 -0.02 0.00 0.02 0.00 0.00 46.19 44.93 3b78 s LEU 77 CO 0.06 0.14 -0.23 -0.47 0.02 0.00 0.00 176.35 175.88 3b78 s TYR 78 N -1.14 2.00 -0.21 0.29 5.04 -0.67 -0.55 117.35 122.11 3b78 s TYR 78 Ca 0.12 -0.38 -0.13 0.00 -2.44 0.00 0.00 57.07 54.25 3b78 s TYR 78 Cb -0.10 -1.25 0.07 0.00 0.35 0.00 0.00 41.96 41.03 3b78 s TYR 78 CO 0.06 0.02 0.52 0.45 -1.34 0.00 0.00 175.55 175.26 3b78 s SER 79 N -0.80 -0.67 0.20 4.32 0.15 -0.84 -4.67 113.70 111.39 3b78 s SER 79 Ca 0.09 1.12 0.09 0.00 0.70 0.00 0.00 55.95 57.96 3b78 s SER 79 Cb -0.09 1.01 -0.04 0.00 -1.71 0.00 0.00 66.02 65.19 3b78 s SER 79 CO 0.00 -0.21 -0.11 -0.70 1.20 0.00 0.00 173.24 173.43 3b78 s GLU 80 N 1.36 2.00 0.16 5.44 2.12 -1.26 -0.86 118.70 127.66 3b78 s GLU 80 Ca -0.09 -1.35 -0.05 0.00 0.36 0.00 0.00 54.97 53.85 3b78 s GLU 80 Cb -0.07 -2.10 -0.03 0.00 0.26 0.00 0.00 34.13 32.20 3b78 s GLU 80 CO -0.14 0.42 0.18 -1.64 -0.54 0.00 0.00 175.26 173.54 3b78 s MET 81 N -2.95 1.09 0.72 4.30 -1.94 -0.78 -5.02 119.30 114.72 3b78 s MET 81 Ca 0.25 -1.35 -0.11 0.00 -1.71 0.00 0.00 55.69 52.77 3b78 s MET 81 Cb -0.08 0.31 0.02 0.00 2.01 0.00 0.00 34.83 37.09 3b78 s MET 81 CO 0.15 -0.36 1.07 -1.54 -0.01 0.00 0.00 175.02 174.33 3b78 s SER 82 N -3.03 5.20 0.54 3.03 1.04 -1.26 -4.75 113.70 114.47 3b78 s SER 82 Ca 0.23 1.49 0.35 0.00 0.48 0.00 0.00 55.95 58.51 3b78 s SER 82 Cb 0.05 -2.34 1.64 0.00 0.10 0.00 0.00 66.02 65.47 3b78 s SER 82 CO 0.03 -1.54 2.06 0.44 0.98 0.00 0.00 173.24 175.20 3b78 h ASP 83 N -0.79 0.00 1.17 7.02 5.19 -1.98 -1.67 116.42 125.36 3b78 h ASP 83 Ca -0.45 0.00 -0.16 0.00 -0.62 0.00 0.00 57.03 55.80 3b78 h ASP 83 Cb 1.23 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.71 3b78 h ASP 83 CO 0.58 0.00 -0.85 -0.33 -3.12 0.00 0.00 179.24 175.52 3b78 h GLU 84 N 0.00 0.00 0.06 3.56 4.39 -2.01 -3.22 114.58 117.36 3b78 h GLU 84 Ca 0.00 0.00 -0.26 0.00 0.34 0.00 0.00 59.36 59.44 3b78 h GLU 84 Cb 0.32 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 28.98 3b78 h GLU 84 CO 0.00 0.69 -1.10 -0.44 -1.16 0.00 0.00 179.01 177.00 3b78 h ASP 85 N 0.00 0.63 0.13 1.42 3.32 -1.69 -3.24 116.42 116.99 3b78 h ASP 85 Ca -0.04 -0.56 -0.01 0.00 0.02 0.00 0.00 57.03 56.44 3b78 h ASP 85 Cb 1.60 -0.20 -0.00 0.00 0.22 0.00 0.00 39.33 40.95 3b78 h ASP 85 CO 0.09 1.38 -0.05 0.58 -1.72 0.00 0.00 179.24 179.53 3b78 h VAL 86 N 0.22 0.56 0.00 -1.35 2.07 -1.45 -1.18 116.25 115.12 3b78 h VAL 86 Ca -0.13 -0.20 -0.01 0.00 0.82 0.00 0.00 66.70 67.19 3b78 h VAL 86 Cb 1.77 1.13 -0.00 0.00 -1.52 0.00 0.00 31.29 32.66 3b78 h VAL 86 CO 0.20 0.04 -0.05 0.11 0.02 0.00 0.00 177.57 177.89 3b78 h LYS 87 N 0.00 0.00 0.00 1.57 1.57 -1.57 -2.95 116.57 115.19 3b78 h LYS 87 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3b78 h LYS 87 Cb 0.12 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.43 3b78 h LYS 87 CO 0.01 0.05 0.00 0.39 -0.57 0.00 0.00 179.45 179.33 3b78 n GLU 88 N -3.13 0.05 -2.82 3.15 1.02 -0.45 -4.76 120.64 113.71 3b78 n GLU 88 Ca 0.02 0.06 -0.42 0.00 -0.02 0.00 0.00 57.16 56.81 3b78 n GLU 88 Cb 0.45 -1.50 -0.03 0.00 -0.02 0.00 0.00 31.44 30.34 3b78 n GLU 88 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 3b78 s ILE 89 N -2.94 4.81 -0.29 -3.67 1.01 -1.12 -4.94 121.20 114.07 3b78 s ILE 89 Ca 0.14 1.75 -0.02 0.00 0.00 0.00 0.00 60.65 62.52 3b78 s ILE 89 Cb 0.17 -4.19 0.11 0.00 0.01 0.00 0.00 42.46 38.55 3b78 s ILE 89 CO 0.45 -0.05 2.36 0.29 0.00 0.00 0.00 174.94 178.00 3b78 n LYS 90 N 5.65 1.90 -3.55 2.79 5.02 -1.26 -4.82 118.16 123.88 3b78 n LYS 90 Ca 0.07 -1.56 -0.13 0.00 -2.02 0.00 0.00 58.31 54.67 3b78 n LYS 90 Cb 0.48 -1.73 -0.05 0.00 -0.02 0.00 0.00 35.03 33.72 3b78 n LYS 90 CO 0.00 0.00 0.00 1.14 -0.52 0.00 0.00 177.40 178.02 3b78 s GLN 91 N -1.35 1.08 -0.06 1.97 -2.07 -1.26 -5.12 119.66 112.86 3b78 s GLN 91 Ca 0.38 -0.30 -0.31 0.00 -1.82 0.00 0.00 55.36 53.31 3b78 s GLN 91 Cb 0.26 0.49 -0.09 0.00 -1.09 0.00 0.00 33.01 32.58 3b78 s GLN 91 CO -0.06 -0.41 2.00 1.63 -1.32 0.00 0.00 175.29 177.13 3b78 n LYS 92 N 0.23 2.47 -4.38 9.60 5.02 -1.26 -4.97 118.16 124.87 3b78 n LYS 92 Ca -0.18 0.87 -0.20 0.00 -2.02 0.00 0.00 58.31 56.78 3b78 n LYS 92 Cb 0.61 -2.93 -0.10 0.00 -0.02 0.00 0.00 35.03 32.59 3b78 n LYS 92 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 3b78 s THR 93 N 5.14 1.94 -0.29 -0.18 -4.23 -1.26 -4.73 115.64 112.03 3b78 s THR 93 Ca 0.93 -2.23 -0.03 0.00 -1.18 0.00 0.00 61.69 59.18 3b78 s THR 93 Cb -0.50 -2.09 0.11 0.00 1.34 0.00 0.00 72.50 71.36 3b78 s THR 93 CO 0.44 -0.51 0.18 -0.62 -0.54 0.00 0.00 174.62 173.57 3b78 s ASP 94 N -3.30 2.93 0.00 3.99 -1.08 -1.26 -5.04 116.67 112.90 3b78 s ASP 94 Ca 0.24 -1.12 0.00 0.00 -0.52 0.00 0.00 52.55 51.15 3b78 s ASP 94 Cb -0.02 -0.07 0.00 0.00 -1.46 0.00 0.00 42.92 41.37 3b78 s ASP 94 CO 0.09 -0.42 0.00 0.61 0.52 0.00 0.00 175.17 175.97 3b78 n GLY 95 N 5.27 -2.30 0.01 2.66 0.00 -1.26 -4.76 105.19 104.80 3b78 n GLY 95 Ca -0.05 -2.02 0.04 0.00 0.00 0.00 0.00 46.02 43.99 3b78 n GLY 95 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3b78 n ASN 96 N 0.04 0.42 -4.84 1.61 3.02 -1.26 -5.00 115.26 109.25 3b78 n ASN 96 Ca 0.00 -0.71 -0.34 0.00 -0.03 0.00 0.00 54.58 53.49 3b78 n ASN 96 Cb 0.00 0.98 -0.06 0.00 -0.61 0.00 0.00 39.78 40.09 3b78 n ASN 96 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 3b78 s SER 97 N -1.77 6.83 -0.03 6.41 0.01 -1.26 -1.86 113.70 122.03 3b78 s SER 97 Ca 0.03 1.16 0.00 0.00 1.31 0.00 0.00 55.95 58.45 3b78 s SER 97 Cb 0.06 -2.32 0.03 0.00 0.21 0.00 0.00 66.02 64.00 3b78 s SER 97 CO 0.34 0.01 0.02 -0.36 0.41 0.00 0.00 173.24 173.65 3b78 s PHE 98 N -1.62 0.19 -0.30 2.43 0.08 -0.04 -4.83 117.98 113.91 3b78 s PHE 98 Ca 0.43 0.06 -0.12 0.00 0.12 0.00 0.00 56.93 57.42 3b78 s PHE 98 Cb -0.14 -0.35 -0.04 0.00 -0.57 0.00 0.00 43.02 41.92 3b78 s PHE 98 CO 0.20 -0.12 0.24 -1.17 -0.10 0.00 0.00 175.22 174.27 3b78 s LEU 99 N 1.11 4.16 -0.23 -0.37 2.96 -0.18 -1.98 118.68 124.16 3b78 s LEU 99 Ca -0.09 -0.07 -0.05 0.00 -0.22 0.00 0.00 54.13 53.71 3b78 s LEU 99 Cb -0.13 -2.19 -0.02 0.00 0.50 0.00 0.00 46.19 44.35 3b78 s LEU 99 CO -0.02 -0.13 -0.01 -0.63 -1.32 0.00 0.00 176.35 174.24 3b78 s ILE 100 N 1.82 3.70 -0.50 6.68 1.01 0.29 -0.62 121.20 133.57 3b78 s ILE 100 Ca 0.08 -0.38 -0.18 0.00 0.00 0.00 0.00 60.65 60.17 3b78 s ILE 100 Cb -0.16 -2.70 0.06 0.00 0.01 0.00 0.00 42.46 39.67 3b78 s ILE 100 CO 0.11 0.40 0.58 0.20 0.00 0.00 0.00 174.94 176.23 3b78 s ASN 101 N 1.48 6.21 -0.42 3.58 0.01 0.15 0.11 114.94 126.07 3b78 s ASN 101 Ca 0.06 -1.00 -0.22 0.00 -0.71 0.00 0.00 52.86 50.98 3b78 s ASN 101 Cb -0.15 -2.27 0.02 0.00 0.41 0.00 0.00 41.25 39.26 3b78 s ASN 101 CO -0.01 -0.85 0.72 -0.22 -1.51 0.00 0.00 177.10 175.23 3b78 s LEU 102 N 2.44 4.31 -0.22 0.60 2.96 0.54 -1.51 118.68 127.80 3b78 s LEU 102 Ca 0.13 -0.08 -0.11 0.00 -0.22 0.00 0.00 54.13 53.84 3b78 s LEU 102 Cb -0.20 -2.87 -0.05 0.00 0.50 0.00 0.00 46.19 43.57 3b78 s LEU 102 CO 0.11 -0.80 0.19 -0.63 -1.32 0.00 0.00 176.35 173.89 3b78 s ILE 103 N 3.03 5.35 0.51 6.68 1.01 -0.23 -0.35 121.20 137.21 3b78 s ILE 103 Ca 0.27 0.26 -0.23 0.00 0.00 0.00 0.00 60.65 60.95 3b78 s ILE 103 Cb -0.13 -3.52 -0.06 0.00 0.01 0.00 0.00 42.46 38.75 3b78 s ILE 103 CO 0.20 0.36 1.34 -0.67 0.00 0.00 0.00 174.94 176.17 3b78 n ASP 104 N 4.07 2.71 -4.29 3.58 2.03 -0.69 -4.38 116.55 119.59 3b78 n ASP 104 Ca -0.14 1.02 -0.22 0.00 0.52 0.00 0.00 54.79 55.97 3b78 n ASP 104 Cb 0.52 -1.56 -0.12 0.00 -0.72 0.00 0.00 41.12 39.24 3b78 n ASP 104 CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 3b78 s SER 105 N -0.78 2.44 1.08 1.67 0.01 -1.26 -4.82 113.70 112.05 3b78 s SER 105 Ca 0.68 -0.78 -0.12 0.00 1.31 0.00 0.00 55.95 57.04 3b78 s SER 105 Cb -0.44 -0.13 0.22 0.00 0.21 0.00 0.00 66.02 65.88 3b78 s SER 105 CO 0.52 -0.03 0.93 -2.65 0.41 0.00 0.00 173.24 172.43 3b78 n PRO 106 N 0.67 -1.67 -0.06 12.44 -0.02 -1.26 -4.99 135.00 140.11 3b78 n PRO 106 Ca -0.16 -0.45 -0.17 0.00 -2.02 0.00 0.00 63.50 60.70 3b78 n PRO 106 Cb 0.56 -2.17 -0.14 0.00 -0.02 0.00 0.00 33.50 31.73 3b78 n PRO 106 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3b78 n GLY 107 N 0.91 -0.62 3.68 -1.23 0.00 -1.26 -4.96 105.19 101.71 3b78 n GLY 107 Ca 0.06 -0.22 -0.28 0.00 0.00 0.00 0.00 46.02 45.58 3b78 n GLY 107 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3b78 s HIS 108 N -2.54 2.90 -0.35 1.61 5.65 -1.26 -4.65 115.29 116.65 3b78 s HIS 108 Ca -0.22 -0.10 0.20 0.00 0.25 0.00 0.00 55.06 55.19 3b78 s HIS 108 Cb 0.08 -1.44 0.25 0.00 -1.18 0.00 0.00 32.58 30.29 3b78 s HIS 108 CO 0.73 0.50 1.55 -0.24 -0.65 0.00 0.00 174.74 176.63 3b78 h VAL 109 N 2.58 0.27 0.00 0.89 3.04 -1.98 -3.10 116.25 117.95 3b78 h VAL 109 Ca -0.47 -1.38 0.00 0.00 -1.01 0.00 0.00 66.70 63.83 3b78 h VAL 109 Cb 1.19 2.13 0.00 0.00 -2.01 0.00 0.00 31.29 32.60 3b78 h VAL 109 CO 0.59 0.15 0.00 -0.90 -1.01 0.00 0.00 177.57 176.40 3b78 n ASP 110 N -3.14 0.00 -3.34 3.17 3.85 -1.26 -2.89 116.55 112.95 3b78 n ASP 110 Ca 0.03 0.23 -0.38 0.00 -0.71 0.00 0.00 54.79 53.96 3b78 n ASP 110 Cb 0.59 -0.34 -0.02 0.00 -1.35 0.00 0.00 41.12 40.00 3b78 n ASP 110 CO 0.00 0.00 0.00 0.49 -1.01 0.00 0.00 177.20 176.68 3b78 n PHE 111 N -1.34 2.42 -0.25 2.11 3.72 -1.17 -4.76 117.46 118.18 3b78 n PHE 111 Ca 0.04 -2.83 -0.02 0.00 -0.05 0.00 0.00 57.45 54.60 3b78 n PHE 111 Cb 0.09 -2.01 0.10 0.00 -0.94 0.00 0.00 39.48 36.72 3b78 n PHE 111 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 3b78 h SER 112 N 4.60 0.67 -0.31 4.37 4.64 -1.78 -1.81 113.55 123.93 3b78 h SER 112 Ca 0.73 0.02 -0.01 0.00 -0.47 0.00 0.00 61.79 62.05 3b78 h SER 112 Cb 0.35 -0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 62.30 3b78 h SER 112 CO 1.51 0.44 0.15 0.28 -0.87 0.00 0.00 176.83 178.34 3b78 h SER 113 N 0.80 0.40 -0.71 4.97 0.02 -1.88 -2.63 113.55 114.52 3b78 h SER 113 Ca 0.30 -0.12 -0.05 0.00 -0.84 0.00 0.00 61.79 61.09 3b78 h SER 113 Cb 0.12 -0.10 -0.03 0.00 0.14 0.00 0.00 62.40 62.52 3b78 h SER 113 CO -0.15 0.41 0.27 -0.08 -1.14 0.00 0.00 176.83 176.13 3b78 h GLU 114 N 0.36 1.09 0.03 3.45 4.81 -1.86 -2.55 114.58 119.92 3b78 h GLU 114 Ca 0.11 -0.20 -0.00 0.00 -0.13 0.00 0.00 59.36 59.13 3b78 h GLU 114 Cb 0.11 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 29.32 3b78 h GLU 114 CO -0.01 0.90 -0.02 0.28 -0.73 0.00 0.00 179.01 179.43 3b78 h VAL 115 N 1.06 1.06 -0.47 0.32 2.07 -1.20 -2.75 116.25 116.34 3b78 h VAL 115 Ca 0.24 -0.29 -0.02 0.00 0.82 0.00 0.00 66.70 67.45 3b78 h VAL 115 Cb 0.24 1.26 -0.02 0.00 -1.52 0.00 0.00 31.29 31.24 3b78 h VAL 115 CO -0.02 0.07 0.22 0.74 0.02 0.00 0.00 177.57 178.61 3b78 h THR 116 N -0.17 1.16 -0.47 2.57 2.02 -1.36 -1.77 112.91 114.90 3b78 h THR 116 Ca -0.00 -0.47 -0.01 0.00 0.77 0.00 0.00 66.41 66.69 3b78 h THR 116 Cb 0.16 0.57 -0.02 0.00 -1.74 0.00 0.00 68.15 67.12 3b78 h THR 116 CO 0.01 0.19 0.24 0.00 0.37 0.00 0.00 175.52 176.33 3b78 h ALA 117 N 1.58 0.60 -0.50 6.16 0.00 -1.32 -1.27 119.26 124.52 3b78 h ALA 117 Ca 0.17 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 3b78 h ALA 117 Cb 0.09 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 3b78 h ALA 117 CO -0.02 0.14 0.07 0.00 0.00 0.00 0.00 179.25 179.44 3b78 h ALA 118 N 1.09 0.66 -0.59 0.00 0.00 -1.12 -3.14 119.26 116.15 3b78 h ALA 118 Ca 0.16 -0.24 -0.09 0.00 0.00 0.00 0.00 54.91 54.74 3b78 h ALA 118 Cb 0.08 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 3b78 h ALA 118 CO -0.02 0.40 0.02 -0.07 0.00 0.00 0.00 179.25 179.58 3b78 h LEU 119 N 0.70 0.98 -2.02 0.00 3.38 -1.16 -3.21 115.31 113.98 3b78 h LEU 119 Ca 0.15 -0.26 -0.02 0.00 0.09 0.00 0.00 57.88 57.84 3b78 h LEU 119 Cb 0.41 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.90 3b78 h LEU 119 CO 0.01 1.02 -0.09 -0.09 0.09 0.00 0.00 178.44 179.38 3b78 h ARG 120 N 0.93 0.00 -0.48 1.13 2.43 -1.18 -1.11 114.38 116.10 3b78 h ARG 120 Ca 0.17 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.34 3b78 h ARG 120 Cb 0.51 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.06 3b78 h ARG 120 CO 0.02 0.09 0.00 1.33 -1.51 0.00 0.00 179.97 179.91 3b78 n VAL 121 N -3.83 0.69 -4.16 0.20 0.24 -1.21 -4.93 118.33 105.33 3b78 n VAL 121 Ca -0.02 -0.84 -0.28 0.00 -2.04 0.00 0.00 64.34 61.15 3b78 n VAL 121 Cb 0.19 0.80 -0.08 0.00 -1.47 0.00 0.00 33.84 33.29 3b78 n VAL 121 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 3b78 s THR 122 N -1.26 3.92 -0.11 3.34 -4.23 -0.42 -4.82 115.64 112.05 3b78 s THR 122 Ca 0.40 -1.19 0.07 0.00 -1.18 0.00 0.00 61.69 59.79 3b78 s THR 122 Cb 0.22 -2.92 -0.12 0.00 1.34 0.00 0.00 72.50 71.02 3b78 s THR 122 CO 0.30 -0.00 -0.00 0.47 -0.54 0.00 0.00 174.62 174.85 3b78 n ASP 123 N 0.18 2.51 -4.48 3.99 10.43 0.14 -4.89 116.55 124.43 3b78 n ASP 123 Ca -0.10 -0.02 -0.24 0.00 2.57 0.00 0.00 54.79 57.00 3b78 n ASP 123 Cb 0.54 0.52 -0.10 0.00 1.84 0.00 0.00 41.12 43.91 3b78 n ASP 123 CO 0.00 0.00 0.00 -0.83 -1.07 0.00 0.00 177.20 175.30 3b78 s GLY 124 N -4.56 1.98 -0.03 0.44 0.00 -0.50 -1.82 107.32 102.82 3b78 s GLY 124 Ca -0.09 -1.96 -0.01 0.00 0.00 0.00 0.00 44.72 42.66 3b78 s GLY 124 CO 0.41 -1.95 0.05 0.00 0.00 0.00 0.00 173.10 171.60 3b78 s ALA 125 N -2.70 -0.04 -0.46 3.20 0.00 -0.12 -2.76 121.76 118.88 3b78 s ALA 125 Ca 0.30 0.29 -0.18 0.00 0.00 0.00 0.00 51.96 52.37 3b78 s ALA 125 Cb 0.01 -0.21 0.04 0.00 0.00 0.00 0.00 23.12 22.96 3b78 s ALA 125 CO 0.14 -0.08 0.54 -1.17 0.00 0.00 0.00 175.76 175.19 3b78 s LEU 126 N 0.70 4.93 -0.21 0.00 2.96 -0.32 -0.55 118.68 126.19 3b78 s LEU 126 Ca -0.06 -0.79 -0.15 0.00 -0.22 0.00 0.00 54.13 52.91 3b78 s LEU 126 Cb -0.08 -2.44 -0.04 0.00 0.50 0.00 0.00 46.19 44.13 3b78 s LEU 126 CO -0.02 -0.75 0.34 -0.69 -1.32 0.00 0.00 176.35 173.91 3b78 s VAL 127 N 2.39 5.23 -0.24 1.68 1.01 0.23 -0.89 120.40 129.82 3b78 s VAL 127 Ca 0.14 0.59 -0.07 0.00 0.00 0.00 0.00 61.98 62.64 3b78 s VAL 127 Cb -0.18 -3.68 -0.02 0.00 0.00 0.00 0.00 36.38 32.50 3b78 s VAL 127 CO 0.13 0.27 0.05 -0.69 0.00 0.00 0.00 175.10 174.85 3b78 s VAL 128 N 1.27 4.13 0.32 2.92 1.01 -0.60 -0.80 120.40 128.64 3b78 s VAL 128 Ca 0.16 -0.24 0.10 0.00 0.00 0.00 0.00 61.98 62.01 3b78 s VAL 128 Cb -0.14 -2.92 -0.05 0.00 0.00 0.00 0.00 36.38 33.26 3b78 s VAL 128 CO 0.07 0.36 -0.09 0.68 0.00 0.00 0.00 175.10 176.13 3b78 s VAL 129 N 1.55 2.56 0.11 2.92 -7.23 -0.66 -4.53 120.40 115.11 3b78 s VAL 129 Ca 0.06 -2.17 -0.07 0.00 -1.81 0.00 0.00 61.98 57.99 3b78 s VAL 129 Cb -0.15 -2.61 -0.06 0.00 0.56 0.00 0.00 36.38 34.13 3b78 s VAL 129 CO 0.02 -0.28 0.38 -0.62 -0.31 0.00 0.00 175.10 174.30 3b78 s ASP 130 N -3.62 6.55 0.00 4.85 2.15 -0.39 -0.33 116.67 125.89 3b78 s ASP 130 Ca 0.32 0.68 -0.24 0.00 0.43 0.00 0.00 52.55 53.74 3b78 s ASP 130 Cb -0.01 -2.13 -0.15 0.00 -0.30 0.00 0.00 42.92 40.33 3b78 s ASP 130 CO 0.17 0.11 1.10 0.74 -0.17 0.00 0.00 175.17 177.12 3b78 h THR 131 N 2.46 0.41 0.52 1.71 2.02 -1.62 -1.39 112.91 117.02 3b78 h THR 131 Ca -0.48 -0.54 -0.03 0.00 0.77 0.00 0.00 66.41 66.14 3b78 h THR 131 Cb 1.18 0.60 0.01 0.00 -1.74 0.00 0.00 68.15 68.20 3b78 h THR 131 CO 0.69 0.07 -0.25 0.40 0.37 0.00 0.00 175.52 176.81 3b78 h ILE 132 N -0.96 0.00 -0.10 3.11 5.03 -1.86 -3.34 117.51 119.39 3b78 h ILE 132 Ca -0.06 -0.29 -0.17 0.00 -0.12 0.00 0.00 64.86 64.22 3b78 h ILE 132 Cb 0.57 0.00 -0.01 0.00 -3.03 0.00 0.00 36.82 34.35 3b78 h ILE 132 CO 0.10 0.00 -0.65 -0.33 -0.68 0.00 0.00 178.15 176.59 3b78 h GLU 133 N -0.99 0.40 0.00 2.37 5.08 -1.99 -3.49 114.58 115.96 3b78 h GLU 133 Ca -0.07 -0.29 0.00 0.00 -1.00 0.00 0.00 59.36 57.99 3b78 h GLU 133 Cb 0.54 0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.84 3b78 h GLU 133 CO 0.12 0.92 0.00 0.41 -1.00 0.00 0.00 179.01 179.45 3b78 n GLY 134 N 0.41 1.21 3.30 -3.84 0.00 -0.52 -4.75 105.19 101.00 3b78 n GLY 134 Ca -0.04 -0.94 -0.41 0.00 0.00 0.00 0.00 46.02 44.64 3b78 n GLY 134 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3b78 s VAL 135 N 0.00 4.46 0.74 1.61 1.01 -1.26 -1.26 120.40 125.69 3b78 s VAL 135 Ca 0.00 -1.29 -0.13 0.00 0.00 0.00 0.00 61.98 60.56 3b78 s VAL 135 Cb 0.00 -3.70 0.04 0.00 0.00 0.00 0.00 36.38 32.72 3b78 s VAL 135 CO 0.00 -0.50 1.12 0.00 0.00 0.00 0.00 175.10 175.71 3b78 h VAL 137 N -0.64 0.89 0.36 0.00 2.07 -1.92 -2.41 116.25 114.59 3b78 h VAL 137 Ca -0.45 -0.57 -0.02 0.00 0.82 0.00 0.00 66.70 66.48 3b78 h VAL 137 Cb 1.25 1.33 0.00 0.00 -1.52 0.00 0.00 31.29 32.35 3b78 h VAL 137 CO 0.51 0.15 -0.17 -0.61 0.02 0.00 0.00 177.57 177.47 3b78 h GLN 138 N 0.00 -0.46 -0.56 1.57 4.15 -1.91 -2.28 115.11 115.62 3b78 h GLN 138 Ca -0.00 0.03 0.07 0.00 0.77 0.00 0.00 58.65 59.52 3b78 h GLN 138 Cb 0.32 0.10 -0.03 0.00 0.21 0.00 0.00 27.48 28.08 3b78 h GLN 138 CO 0.02 -0.14 0.37 1.15 -1.93 0.00 0.00 178.83 178.30 3b78 h THR 139 N -0.92 0.96 -0.75 2.39 2.02 -1.92 -0.23 112.91 114.46 3b78 h THR 139 Ca -0.05 -0.16 -0.04 0.00 0.77 0.00 0.00 66.41 66.93 3b78 h THR 139 Cb 0.53 0.44 -0.03 0.00 -1.74 0.00 0.00 68.15 67.35 3b78 h THR 139 CO 0.08 0.09 0.31 -0.08 0.37 0.00 0.00 175.52 176.28 3b78 h GLU 140 N 0.48 1.10 -0.17 6.66 4.81 -1.40 -0.30 114.58 125.76 3b78 h GLU 140 Ca 0.25 -0.19 -0.09 0.00 -0.13 0.00 0.00 59.36 59.20 3b78 h GLU 140 Cb 0.36 -0.19 -0.00 0.00 0.63 0.00 0.00 28.75 29.55 3b78 h GLU 140 CO -0.07 0.89 -0.23 1.15 -0.73 0.00 0.00 179.01 180.01 3b78 h THR 141 N 1.08 1.35 -0.44 0.32 2.02 -0.46 -2.68 112.91 114.09 3b78 h THR 141 Ca 0.25 -1.44 -0.06 0.00 0.77 0.00 0.00 66.41 65.92 3b78 h THR 141 Cb 0.19 1.89 -0.02 0.00 -1.74 0.00 0.00 68.15 68.47 3b78 h THR 141 CO -0.02 0.43 0.01 0.58 0.37 0.00 0.00 175.52 176.89 3b78 h VAL 142 N 0.09 1.23 -0.83 3.16 2.07 -1.24 -2.61 116.25 118.12 3b78 h VAL 142 Ca 0.02 -0.93 0.01 0.00 0.82 0.00 0.00 66.70 66.62 3b78 h VAL 142 Cb 0.80 0.88 -0.04 0.00 -1.52 0.00 0.00 31.29 31.41 3b78 h VAL 142 CO 0.05 0.33 0.55 0.25 0.02 0.00 0.00 177.57 178.77 3b78 h LEU 143 N 0.68 0.94 -0.61 2.57 5.85 -0.97 -1.10 115.31 122.68 3b78 h LEU 143 Ca 0.14 -0.02 -0.05 0.00 0.84 0.00 0.00 57.88 58.78 3b78 h LEU 143 Cb 0.41 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.18 3b78 h LEU 143 CO 0.02 0.67 0.16 0.03 -0.34 0.00 0.00 178.44 178.98 3b78 h ARG 144 N 1.11 0.96 -0.56 1.25 3.08 -1.12 -1.50 114.38 117.59 3b78 h ARG 144 Ca 0.31 -0.22 -0.02 0.00 0.07 0.00 0.00 59.98 60.12 3b78 h ARG 144 Cb -0.09 -0.13 -0.03 0.00 0.08 0.00 0.00 29.97 29.80 3b78 h ARG 144 CO -0.07 0.87 0.28 1.96 -1.07 0.00 0.00 179.97 181.94 3b78 h GLN 145 N 0.87 0.80 -0.80 0.04 1.08 -1.18 -0.78 115.11 115.14 3b78 h GLN 145 Ca 0.19 -0.11 0.02 0.00 -1.45 0.00 0.00 58.65 57.30 3b78 h GLN 145 Cb 0.33 -0.15 -0.05 0.00 -0.05 0.00 0.00 27.48 27.56 3b78 h GLN 145 CO -0.00 0.64 0.52 0.00 -0.95 0.00 0.00 178.83 179.04 3b78 h ALA 146 N 1.12 1.04 -0.00 3.87 0.00 -1.02 -1.80 119.26 122.46 3b78 h ALA 146 Ca 0.19 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.98 3b78 h ALA 146 Cb 0.10 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 3b78 h ALA 146 CO -0.03 0.37 -0.40 -0.07 0.00 0.00 0.00 179.25 179.13 3b78 h LEU 147 N 1.04 0.00 -1.77 0.00 3.38 -0.85 -0.72 115.31 116.40 3b78 h LEU 147 Ca 0.31 -0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.26 3b78 h LEU 147 Cb -0.04 -0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.70 3b78 h LEU 147 CO -0.09 0.40 -0.11 1.23 0.09 0.00 0.00 178.44 179.96 3b78 h GLY 148 N 1.20 0.00 -1.20 0.83 0.00 -0.32 -0.81 103.07 102.77 3b78 h GLY 148 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3b78 h GLY 148 CO 0.05 0.00 0.00 1.18 0.00 0.00 0.00 176.54 177.77 3b78 n GLU 149 N -3.43 1.96 -3.57 4.80 -0.58 -0.44 -4.94 120.64 114.44 3b78 n GLU 149 Ca -0.01 -1.43 -0.23 0.00 -0.42 0.00 0.00 57.16 55.08 3b78 n GLU 149 Cb 0.27 -1.44 0.08 0.00 -0.57 0.00 0.00 31.44 29.78 3b78 n GLU 149 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 3b78 n ARG 150 N 0.67 -7.74 -3.25 3.49 1.74 -0.31 -4.96 116.66 106.30 3b78 n ARG 150 Ca 0.17 0.83 -0.39 0.00 -0.77 0.00 0.00 57.85 57.70 3b78 n ARG 150 Cb 0.43 -5.88 -0.06 0.00 -1.02 0.00 0.00 32.46 25.92 3b78 n ARG 150 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3b78 s ILE 151 N -3.33 4.80 -0.28 0.55 1.01 -0.41 -4.98 121.20 118.57 3b78 s ILE 151 Ca 0.48 1.23 -0.22 0.00 0.00 0.00 0.00 60.65 62.14 3b78 s ILE 151 Cb -0.21 -3.91 -0.01 0.00 0.01 0.00 0.00 42.46 38.34 3b78 s ILE 151 CO 0.73 0.50 0.72 -0.75 0.00 0.00 0.00 174.94 176.15 3b78 s LYS 152 N -0.74 4.02 0.47 2.79 2.20 -0.76 -4.54 119.74 123.19 3b78 s LYS 152 Ca 0.30 0.58 -0.21 0.00 -0.36 0.00 0.00 55.97 56.27 3b78 s LYS 152 Cb -0.19 -3.70 -0.09 0.00 -1.51 0.00 0.00 37.83 32.35 3b78 s LYS 152 CO 0.18 -0.57 1.04 -1.25 -0.36 0.00 0.00 175.35 174.39 3b78 s PRO 153 N 2.76 3.87 -0.05 4.03 0.04 -1.26 -0.94 135.00 143.44 3b78 s PRO 153 Ca 0.30 1.37 -0.02 0.00 0.04 0.00 0.00 61.00 62.69 3b78 s PRO 153 Cb -0.15 -2.16 0.04 0.00 0.04 0.00 0.00 34.50 32.27 3b78 s PRO 153 CO 0.11 -0.38 0.10 0.08 0.04 0.00 0.00 177.00 176.94 3b78 s VAL 154 N -1.95 -0.11 -0.09 -0.36 1.01 0.29 -4.88 120.40 114.31 3b78 s VAL 154 Ca 0.66 0.29 -0.05 0.00 0.00 0.00 0.00 61.98 62.88 3b78 s VAL 154 Cb -0.17 -0.19 -0.04 0.00 0.00 0.00 0.00 36.38 35.99 3b78 s VAL 154 CO 0.21 0.12 0.12 -0.69 0.00 0.00 0.00 175.10 174.85 3b78 s VAL 155 N 1.63 5.25 -0.08 2.92 1.01 -0.97 0.78 120.40 130.95 3b78 s VAL 155 Ca -0.03 0.05 0.00 0.00 0.00 0.00 0.00 61.98 62.01 3b78 s VAL 155 Cb -0.12 -3.30 0.02 0.00 0.00 0.00 0.00 36.38 32.98 3b78 s VAL 155 CO -0.04 0.57 -0.06 0.54 0.00 0.00 0.00 175.10 176.10 3b78 s VAL 156 N -1.05 0.80 -0.53 2.92 0.11 0.02 -1.00 120.40 121.66 3b78 s VAL 156 Ca 0.17 -0.22 -0.25 0.00 -2.93 0.00 0.00 61.98 58.75 3b78 s VAL 156 Cb -0.12 -0.82 0.04 0.00 -1.53 0.00 0.00 36.38 33.95 3b78 s VAL 156 CO 0.06 0.31 0.96 -0.63 -3.33 0.00 0.00 175.10 172.47 3b78 s ILE 157 N 1.28 4.37 0.44 7.04 -1.09 0.12 -1.66 121.20 131.71 3b78 s ILE 157 Ca -0.04 0.46 0.04 0.00 -2.23 0.00 0.00 60.65 58.88 3b78 s ILE 157 Cb -0.14 -4.53 0.01 0.00 -1.58 0.00 0.00 42.46 36.22 3b78 s ILE 157 CO -0.03 -1.07 0.62 0.21 -1.23 0.00 0.00 174.94 173.45 3b78 s ASN 158 N 2.71 5.65 -1.30 3.58 2.47 0.55 -2.02 114.94 126.58 3b78 s ASN 158 Ca 0.33 -0.13 -0.04 0.00 0.42 0.00 0.00 52.86 53.45 3b78 s ASN 158 Cb -0.11 -1.00 0.01 0.00 -1.45 0.00 0.00 41.25 38.70 3b78 s ASN 158 CO 0.22 -0.79 0.97 0.29 -3.72 0.00 0.00 177.10 174.07 3b78 n LYS 159 N -1.99 -6.40 0.18 0.43 5.02 -1.12 -2.03 118.16 112.26 3b78 n LYS 159 Ca 0.05 0.76 0.06 0.00 -2.02 0.00 0.00 58.31 57.16 3b78 n LYS 159 Cb 0.59 -5.66 0.18 0.00 -0.02 0.00 0.00 35.03 30.12 3b78 n LYS 159 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 3b78 h VAL 160 N -2.10 0.66 -0.31 -0.18 2.07 -1.78 -3.22 116.25 111.39 3b78 h VAL 160 Ca -0.59 -1.72 0.00 0.00 0.82 0.00 0.00 66.70 65.22 3b78 h VAL 160 Cb 1.36 2.16 -0.02 0.00 -1.52 0.00 0.00 31.29 33.27 3b78 h VAL 160 CO 0.55 0.34 0.20 -2.24 0.02 0.00 0.00 177.57 176.44 3b78 h ASP 161 N 0.00 0.36 0.27 0.57 3.04 -1.90 -2.75 116.42 116.01 3b78 h ASP 161 Ca -0.00 -0.01 -0.01 0.00 -3.24 0.00 0.00 57.03 53.77 3b78 h ASP 161 Cb 1.13 -0.09 -0.01 0.00 -1.04 0.00 0.00 39.33 39.33 3b78 h ASP 161 CO 0.05 0.26 -0.19 0.03 -2.04 0.00 0.00 179.24 177.35 3b78 h ARG 162 N 0.42 -0.44 -0.74 4.15 3.08 -1.96 -0.95 114.38 117.94 3b78 h ARG 162 Ca 0.11 0.03 0.21 0.00 0.07 0.00 0.00 59.98 60.40 3b78 h ARG 162 Cb -0.04 0.10 -0.03 0.00 0.08 0.00 0.00 29.97 30.08 3b78 h ARG 162 CO -0.02 -0.29 0.53 0.00 -1.07 0.00 0.00 179.97 179.12 3b78 h ALA 163 N 0.25 2.67 -1.01 0.04 0.00 -1.67 -0.50 119.26 119.03 3b78 h ALA 163 Ca -0.02 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3b78 h ALA 163 Cb 0.39 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.23 3b78 h ALA 163 CO 0.01 -0.88 0.00 1.28 0.00 0.00 0.00 179.25 179.66 3b78 n LEU 164 N -4.33 0.81 -0.36 0.00 4.77 -0.97 -2.79 117.00 114.14 3b78 n LEU 164 Ca 0.15 0.27 0.05 0.00 -0.03 0.00 0.00 56.01 56.44 3b78 n LEU 164 Cb 0.80 -0.33 0.20 0.00 -2.33 0.00 0.00 43.42 41.76 3b78 n LEU 164 CO 0.38 -0.33 1.25 -0.07 -1.33 0.00 0.00 177.39 177.28 3b78 h LEU 165 N 0.00 0.98 0.00 2.23 3.38 -1.17 -1.86 115.31 118.87 3b78 h LEU 165 Ca 0.00 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.00 3b78 h LEU 165 Cb 0.00 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.57 3b78 h LEU 165 CO 0.00 0.58 0.00 -0.62 0.09 0.00 0.00 178.44 178.49 3b78 n GLU 166 N -4.56 0.00 -0.38 1.13 1.02 -0.20 -4.49 120.64 113.15 3b78 n GLU 166 Ca 0.17 0.31 0.07 0.00 -0.02 0.00 0.00 57.16 57.69 3b78 n GLU 166 Cb 0.26 -0.89 0.25 0.00 -0.02 0.00 0.00 31.44 31.04 3b78 n GLU 166 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3b78 n LEU 167 N -1.43 3.28 -3.00 -4.62 4.77 -1.23 -4.97 117.00 109.79 3b78 n LEU 167 Ca 0.00 -1.65 -0.30 0.00 -0.03 0.00 0.00 56.01 54.03 3b78 n LEU 167 Cb 0.00 -0.44 0.03 0.00 -2.33 0.00 0.00 43.42 40.68 3b78 n LEU 167 CO 0.00 0.63 -0.22 0.00 -1.33 0.00 0.00 177.39 176.48 3b78 n GLN 168 N 0.82 -1.47 -4.00 3.23 1.13 -0.70 -4.93 117.38 111.46 3b78 n GLN 168 Ca 0.18 1.05 -0.28 0.00 -1.94 0.00 0.00 57.00 56.01 3b78 n GLN 168 Cb 0.59 -1.56 -0.05 0.00 0.11 0.00 0.00 30.24 29.34 3b78 n GLN 168 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 3b78 s VAL 169 N -1.28 4.90 0.69 5.09 0.11 -1.12 -5.05 120.40 123.75 3b78 s VAL 169 Ca 0.27 -0.75 -0.10 0.00 -2.93 0.00 0.00 61.98 58.47 3b78 s VAL 169 Cb -0.03 -3.44 0.02 0.00 -1.53 0.00 0.00 36.38 31.40 3b78 s VAL 169 CO 0.68 0.02 1.07 -0.94 -3.33 0.00 0.00 175.10 172.60 3b78 s SER 170 N -2.80 5.38 0.26 3.54 1.04 -1.26 -4.88 113.70 114.99 3b78 s SER 170 Ca 0.32 1.01 -0.02 0.00 0.48 0.00 0.00 55.95 57.74 3b78 s SER 170 Cb -0.12 -1.82 0.34 0.00 0.10 0.00 0.00 66.02 64.53 3b78 s SER 170 CO 0.25 -1.34 1.79 0.11 0.98 0.00 0.00 173.24 175.03 3b78 h LYS 171 N -0.60 0.87 -0.19 4.02 1.57 -1.98 -0.01 116.57 120.24 3b78 h LYS 171 Ca -0.45 -0.19 -0.20 0.00 -1.87 0.00 0.00 60.65 57.93 3b78 h LYS 171 Cb 1.26 -0.12 0.01 0.00 0.08 0.00 0.00 32.23 33.46 3b78 h LYS 171 CO 0.63 0.80 -0.67 1.49 -0.57 0.00 0.00 179.45 181.13 3b78 h GLU 172 N 0.83 0.80 -0.65 3.15 4.57 -1.97 -1.51 114.58 119.80 3b78 h GLU 172 Ca 0.18 -0.60 -0.03 0.00 -1.18 0.00 0.00 59.36 57.73 3b78 h GLU 172 Cb 0.34 0.11 -0.03 0.00 -0.16 0.00 0.00 28.75 29.01 3b78 h GLU 172 CO 0.00 1.22 0.29 -0.44 -1.18 0.00 0.00 179.01 178.90 3b78 h ASP 173 N 0.54 0.86 -0.34 1.04 3.32 -1.90 -0.75 116.42 119.20 3b78 h ASP 173 Ca -0.03 -0.15 -0.01 0.00 0.02 0.00 0.00 57.03 56.86 3b78 h ASP 173 Cb 1.30 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 40.61 3b78 h ASP 173 CO 0.14 0.77 0.17 0.25 -1.72 0.00 0.00 179.24 178.85 3b78 h LEU 174 N 0.90 0.43 -0.51 1.55 5.85 -0.95 -1.69 115.31 120.90 3b78 h LEU 174 Ca 0.22 -0.11 -0.00 0.00 0.84 0.00 0.00 57.88 58.83 3b78 h LEU 174 Cb 0.15 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.05 3b78 h LEU 174 CO -0.02 0.42 0.32 0.22 -0.34 0.00 0.00 178.44 179.03 3b78 h TYR 175 N 0.41 0.67 0.00 1.25 3.20 -1.12 -1.90 116.97 119.48 3b78 h TYR 175 Ca 0.12 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.98 3b78 h TYR 175 Cb 0.10 -0.22 -0.00 0.00 1.54 0.00 0.00 36.73 38.14 3b78 h TYR 175 CO -0.02 0.45 -0.04 1.96 -1.64 0.00 0.00 178.16 178.87 3b78 h GLN 176 N 0.69 0.00 -0.07 1.82 1.08 -0.86 -0.39 115.11 117.37 3b78 h GLN 176 Ca 0.18 0.00 -0.25 0.00 -1.45 0.00 0.00 58.65 57.14 3b78 h GLN 176 Cb -0.03 0.00 0.02 0.00 -0.05 0.00 0.00 27.48 27.42 3b78 h GLN 176 CO -0.04 0.04 -0.92 1.15 -0.95 0.00 0.00 178.83 178.11 3b78 h THR 177 N 0.00 1.28 -0.38 -0.54 2.02 -0.54 -2.66 112.91 112.08 3b78 h THR 177 Ca -0.00 -2.12 -0.04 0.00 0.77 0.00 0.00 66.41 65.02 3b78 h THR 177 Cb 0.09 2.19 -0.01 0.00 -1.74 0.00 0.00 68.15 68.67 3b78 h THR 177 CO 0.00 0.66 0.06 -0.26 0.37 0.00 0.00 175.52 176.36 3b78 h PHE 178 N 0.46 0.67 -0.94 3.16 0.04 -0.71 -0.97 116.94 118.66 3b78 h PHE 178 Ca -0.09 -0.09 0.02 0.00 2.80 0.00 0.00 57.97 60.60 3b78 h PHE 178 Cb 1.56 -0.18 -0.05 0.00 2.20 0.00 0.00 35.95 39.48 3b78 h PHE 178 CO 0.09 0.67 0.62 0.00 -0.60 0.00 0.00 178.31 179.09 3b78 h ALA 179 N 0.92 1.21 -0.02 2.45 0.00 -1.16 0.20 119.26 122.84 3b78 h ALA 179 Ca 0.12 -0.06 -0.17 0.00 0.00 0.00 0.00 54.91 54.80 3b78 h ALA 179 Cb 0.36 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3b78 h ALA 179 CO 0.01 0.54 -0.76 0.00 0.00 0.00 0.00 179.25 179.04 3b78 h ARG 180 N 1.23 0.17 0.01 0.00 3.08 -1.36 -0.52 114.38 117.00 3b78 h ARG 180 Ca 0.35 -0.16 -0.00 0.00 0.07 0.00 0.00 59.98 60.25 3b78 h ARG 180 Cb -0.09 0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.00 3b78 h ARG 180 CO -0.09 0.85 -0.01 1.15 -1.07 0.00 0.00 179.97 180.80 3b78 h THR 181 N 0.11 1.38 -1.00 2.04 2.02 -0.64 -0.65 112.91 116.17 3b78 h THR 181 Ca -0.02 -1.23 0.05 0.00 0.77 0.00 0.00 66.41 65.98 3b78 h THR 181 Cb 1.33 2.21 -0.06 0.00 -1.74 0.00 0.00 68.15 69.89 3b78 h THR 181 CO 0.11 0.31 0.65 0.58 0.37 0.00 0.00 175.52 177.55 3b78 h VAL 182 N -0.55 1.14 -0.79 3.16 2.07 -0.67 -1.31 116.25 119.30 3b78 h VAL 182 Ca -0.00 -0.42 -0.00 0.00 0.82 0.00 0.00 66.70 67.09 3b78 h VAL 182 Cb 0.53 -0.20 -0.04 0.00 -1.52 0.00 0.00 31.29 30.06 3b78 h VAL 182 CO 0.00 0.22 0.49 -0.08 0.02 0.00 0.00 177.57 178.22 3b78 h GLU 183 N 1.23 1.07 -0.15 1.57 4.57 -1.03 -0.86 114.58 120.98 3b78 h GLU 183 Ca 0.41 -0.09 0.03 0.00 -1.18 0.00 0.00 59.36 58.53 3b78 h GLU 183 Cb 0.07 -0.23 -0.03 0.00 -0.16 0.00 0.00 28.75 28.40 3b78 h GLU 183 CO -0.14 0.75 -0.03 0.77 -1.18 0.00 0.00 179.01 179.18 3b78 h SER 184 N 1.08 -0.12 0.05 1.04 0.02 -0.02 -1.37 113.55 114.22 3b78 h SER 184 Ca 0.29 0.04 -0.00 0.00 -0.84 0.00 0.00 61.79 61.28 3b78 h SER 184 Cb -0.05 0.08 0.00 0.00 0.14 0.00 0.00 62.40 62.57 3b78 h SER 184 CO -0.05 -0.04 -0.02 0.58 -1.14 0.00 0.00 176.83 176.15 3b78 h VAL 185 N 0.01 1.00 0.00 2.27 2.07 -1.05 -2.89 116.25 117.67 3b78 h VAL 185 Ca 0.07 -0.16 -0.01 0.00 0.82 0.00 0.00 66.70 67.42 3b78 h VAL 185 Cb 0.10 1.11 -0.00 0.00 -1.52 0.00 0.00 31.29 30.98 3b78 h VAL 185 CO -0.15 0.04 -0.06 0.78 0.02 0.00 0.00 177.57 178.20 3b78 h ASN 186 N -0.13 0.00 -0.64 0.57 2.35 -1.01 0.20 115.58 116.91 3b78 h ASN 186 Ca -0.01 0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 55.68 3b78 h ASN 186 Cb 0.12 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.46 3b78 h ASN 186 CO 0.01 0.06 0.16 0.58 -1.65 0.00 0.00 177.43 176.60 3b78 h VAL 187 N 0.00 1.25 -0.08 2.81 2.07 -1.05 -0.88 116.25 120.38 3b78 h VAL 187 Ca -0.00 -0.94 -0.05 0.00 0.82 0.00 0.00 66.70 66.53 3b78 h VAL 187 Cb 0.14 0.57 0.00 0.00 -1.52 0.00 0.00 31.29 30.48 3b78 h VAL 187 CO 0.01 0.36 -0.15 0.40 0.02 0.00 0.00 177.57 178.21 3b78 h ILE 188 N 1.00 1.40 0.43 4.57 2.04 -0.91 -2.87 117.51 123.17 3b78 h ILE 188 Ca 0.21 -1.43 -0.02 0.00 1.00 0.00 0.00 64.86 64.62 3b78 h ILE 188 Cb 0.35 2.14 0.00 0.00 -0.74 0.00 0.00 36.82 38.58 3b78 h ILE 188 CO 0.00 0.40 -0.21 0.58 0.00 0.00 0.00 178.15 178.92 3b78 h VAL 189 N -0.21 0.57 -0.56 1.67 2.07 -1.06 -1.88 116.25 116.85 3b78 h VAL 189 Ca 0.00 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.52 3b78 h VAL 189 Cb 0.72 0.57 -0.03 0.00 -1.52 0.00 0.00 31.29 31.04 3b78 h VAL 189 CO 0.03 0.00 0.32 0.77 0.02 0.00 0.00 177.57 178.71 3b78 h SER 190 N -0.58 0.67 -0.10 0.57 4.64 -1.28 0.11 113.55 117.56 3b78 h SER 190 Ca -0.06 -0.04 -0.17 0.00 -0.47 0.00 0.00 61.79 61.06 3b78 h SER 190 Cb 0.45 -0.17 -0.00 0.00 -0.31 0.00 0.00 62.40 62.37 3b78 h SER 190 CO 0.09 0.53 -0.53 0.74 -0.87 0.00 0.00 176.83 176.80 3b78 h THR 191 N 0.77 1.30 -0.01 2.95 2.02 -1.31 -3.36 112.91 115.28 3b78 h THR 191 Ca 0.20 -1.74 0.00 0.00 0.77 0.00 0.00 66.41 65.64 3b78 h THR 191 Cb -0.00 1.68 0.00 0.00 -1.74 0.00 0.00 68.15 68.09 3b78 h THR 191 CO -0.04 0.55 -0.12 -1.22 0.37 0.00 0.00 175.52 175.07 3b78 n TYR 192 N -3.99 0.00 -2.68 3.16 4.01 -0.72 -4.39 117.16 112.55 3b78 n TYR 192 Ca -0.03 0.00 -0.32 0.00 -0.16 0.00 0.00 57.90 57.39 3b78 n TYR 192 Cb 0.60 0.00 -0.05 0.00 -0.31 0.00 0.00 39.34 39.58 3b78 n TYR 192 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3b78 s ALA 193 N -1.02 3.14 -0.01 -0.72 0.00 0.35 -4.67 121.76 118.82 3b78 s ALA 193 Ca 0.06 0.16 -0.30 0.00 0.00 0.00 0.00 51.96 51.88 3b78 s ALA 193 Cb 0.06 -3.01 -0.04 0.00 0.00 0.00 0.00 23.12 20.12 3b78 s ALA 193 CO 0.16 -0.02 1.17 -0.51 0.00 0.00 0.00 175.76 176.56 3b78 s ASP 194 N -2.74 7.10 0.55 0.00 1.01 -1.26 -4.91 116.67 116.41 3b78 s ASP 194 Ca 0.58 1.86 0.26 0.00 0.71 0.00 0.00 52.55 55.97 3b78 s ASP 194 Cb -0.10 -2.57 1.59 0.00 1.01 0.00 0.00 42.92 42.86 3b78 s ASP 194 CO 0.24 -0.51 2.17 -0.33 0.21 0.00 0.00 175.17 176.95 3b78 h GLU 195 N 7.16 0.00 -0.10 8.23 5.08 -1.95 -1.38 114.58 131.62 3b78 h GLU 195 Ca -0.37 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 57.97 3b78 h GLU 195 Cb 1.18 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.43 3b78 h GLU 195 CO 0.84 0.05 -0.01 0.28 -1.00 0.00 0.00 179.01 179.18 3b78 h VAL 196 N 0.00 1.07 0.00 3.13 2.07 -2.05 -0.72 116.25 119.76 3b78 h VAL 196 Ca -0.00 -0.28 0.00 0.00 0.82 0.00 0.00 66.70 67.24 3b78 h VAL 196 Cb 0.13 1.01 0.00 0.00 -1.52 0.00 0.00 31.29 30.91 3b78 h VAL 196 CO 0.01 0.09 0.00 0.18 0.02 0.00 0.00 177.57 177.87 3b78 n LEU 197 N -4.45 0.00 0.00 2.57 4.77 -0.52 -4.98 117.00 114.39 3b78 n LEU 197 Ca -0.01 0.46 0.00 0.00 -0.03 0.00 0.00 56.01 56.43 3b78 n LEU 197 Cb 0.14 -0.46 0.00 0.00 -2.33 0.00 0.00 43.42 40.77 3b78 n LEU 197 CO 0.35 -0.17 0.00 0.61 -1.33 0.00 0.00 177.39 176.85 3b78 n GLY 198 N 0.38 1.75 3.32 -0.72 0.00 -0.28 -4.75 105.19 104.89 3b78 n GLY 198 Ca 0.05 -0.68 -0.35 0.00 0.00 0.00 0.00 46.02 45.04 3b78 n GLY 198 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3b78 s ASP 199 N -4.00 4.37 0.00 1.61 2.15 -1.26 -4.76 116.67 114.78 3b78 s ASP 199 Ca 0.00 -0.40 0.07 0.00 0.43 0.00 0.00 52.55 52.65 3b78 s ASP 199 Cb 0.00 -1.75 0.05 0.00 -0.30 0.00 0.00 42.92 40.92 3b78 s ASP 199 CO 0.00 -0.03 0.72 0.52 -0.17 0.00 0.00 175.17 176.21 3b78 n VAL 200 N 4.81 0.02 -1.47 1.11 0.31 -1.26 -5.03 118.33 116.81 3b78 n VAL 200 Ca -0.18 -0.51 -0.34 0.00 -0.01 0.00 0.00 64.34 63.30 3b78 n VAL 200 Cb 0.51 1.13 0.09 0.00 -0.91 0.00 0.00 33.84 34.65 3b78 n VAL 200 CO 0.00 0.00 0.00 -1.10 -1.32 0.00 0.00 176.83 174.41 3b78 s GLN 201 N -0.56 2.23 -0.00 5.55 -0.21 -1.26 -4.72 119.66 120.69 3b78 s GLN 201 Ca 0.08 1.68 -0.07 0.00 0.02 0.00 0.00 55.36 57.06 3b78 s GLN 201 Cb 0.06 -1.85 -0.05 0.00 1.00 0.00 0.00 33.01 32.16 3b78 s GLN 201 CO 0.08 -1.75 0.27 0.14 -2.12 0.00 0.00 175.29 171.92 3b78 s VAL 202 N -2.08 5.29 -0.05 1.09 -7.23 -1.26 -5.09 120.40 111.07 3b78 s VAL 202 Ca 0.72 0.23 -0.01 0.00 -1.81 0.00 0.00 61.98 61.12 3b78 s VAL 202 Cb -0.27 -3.56 0.03 0.00 0.56 0.00 0.00 36.38 33.13 3b78 s VAL 202 CO 0.45 0.40 0.01 -0.31 -0.31 0.00 0.00 175.10 175.34 3b78 s TYR 203 N -1.26 0.47 0.33 2.82 2.02 -1.26 -4.96 117.35 115.50 3b78 s TYR 203 Ca 0.26 -0.04 0.04 0.00 -0.37 0.00 0.00 57.07 56.96 3b78 s TYR 203 Cb -0.13 -0.63 0.65 0.00 -0.40 0.00 0.00 41.96 41.45 3b78 s TYR 203 CO 0.15 -0.24 1.90 -1.35 -1.57 0.00 0.00 175.55 174.43 3b78 h PRO 204 N 8.00 0.85 0.00 -1.71 0.11 -1.90 -0.91 132.00 136.45 3b78 h PRO 204 Ca -0.25 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.81 3b78 h PRO 204 Cb 1.13 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 32.05 3b78 h PRO 204 CO 0.31 0.56 0.00 0.00 -0.21 0.00 0.00 178.00 178.66 3b78 n ALA 205 N -2.41 1.88 0.73 -0.75 0.00 -1.26 -2.26 120.51 116.44 3b78 n ALA 205 Ca 0.15 -0.03 0.10 0.00 0.00 0.00 0.00 53.44 53.66 3b78 n ALA 205 Cb 0.30 -1.34 -0.13 0.00 0.00 0.00 0.00 19.45 18.28 3b78 n ALA 205 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3b78 n ARG 206 N -1.73 0.17 -0.36 0.00 1.74 -0.38 -4.55 116.66 111.56 3b78 n ARG 206 Ca 0.04 -0.05 0.00 0.00 -0.77 0.00 0.00 57.85 57.07 3b78 n ARG 206 Cb 0.25 -1.51 0.00 0.00 -1.02 0.00 0.00 32.46 30.18 3b78 n ARG 206 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3b78 n GLY 207 N 1.44 0.80 1.33 -0.13 0.00 -0.96 -4.96 105.19 102.71 3b78 n GLY 207 Ca 0.02 -0.22 0.10 0.00 0.00 0.00 0.00 46.02 45.92 3b78 n GLY 207 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3b78 n THR 208 N -2.36 1.16 -4.03 2.61 -2.24 -1.08 -4.69 114.28 103.65 3b78 n THR 208 Ca 0.00 -0.96 -0.18 0.00 -2.27 0.00 0.00 64.05 60.64 3b78 n THR 208 Cb 0.00 0.33 -0.16 0.00 -2.10 0.00 0.00 70.33 68.40 3b78 n THR 208 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3b78 s VAL 209 N -1.34 0.31 0.23 2.28 1.01 -1.26 -2.30 120.40 119.33 3b78 s VAL 209 Ca 0.46 -0.00 0.11 0.00 0.00 0.00 0.00 61.98 62.54 3b78 s VAL 209 Cb 0.26 -0.38 -0.05 0.00 0.00 0.00 0.00 36.38 36.21 3b78 s VAL 209 CO 0.28 0.17 -0.18 0.00 0.00 0.00 0.00 175.10 175.37 3b78 s ALA 210 N 0.92 2.73 -0.02 5.51 0.00 -0.17 -4.44 121.76 126.29 3b78 s ALA 210 Ca -0.10 -1.70 0.02 0.00 0.00 0.00 0.00 51.96 50.18 3b78 s ALA 210 Cb -0.14 -0.41 0.00 0.00 0.00 0.00 0.00 23.12 22.58 3b78 s ALA 210 CO -0.01 0.37 -0.08 -0.06 0.00 0.00 0.00 175.76 175.98 3b78 s PHE 211 N -2.04 0.84 -1.58 0.00 0.40 -0.05 0.10 117.98 115.66 3b78 s PHE 211 Ca 0.26 -0.19 0.00 0.00 -0.60 0.00 0.00 56.93 56.40 3b78 s PHE 211 Cb -0.07 -0.59 0.00 0.00 0.51 0.00 0.00 43.02 42.87 3b78 s PHE 211 CO 0.13 -0.07 0.00 0.41 0.70 0.00 0.00 175.22 176.39 3b78 n GLY 212 N 3.19 -0.93 2.85 4.36 0.00 -0.86 -0.02 105.19 113.78 3b78 n GLY 212 Ca -0.17 -0.85 -0.19 0.00 0.00 0.00 0.00 46.02 44.81 3b78 n GLY 212 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3b78 s SER 213 N -4.00 0.88 0.21 1.61 0.15 0.13 -2.77 113.70 109.91 3b78 s SER 213 Ca 0.00 -0.09 -0.05 0.00 0.70 0.00 0.00 55.95 56.51 3b78 s SER 213 Cb 0.00 -0.37 0.18 0.00 -1.71 0.00 0.00 66.02 64.11 3b78 s SER 213 CO 0.00 -0.09 1.64 1.23 1.20 0.00 0.00 173.24 177.22 3b78 h GLY 214 N 7.38 0.90 0.00 9.45 0.00 -1.93 -1.52 103.07 117.35 3b78 h GLY 214 Ca -0.36 -0.73 0.00 0.00 0.00 0.00 0.00 47.33 46.23 3b78 h GLY 214 CO 0.44 0.67 0.00 -0.10 0.00 0.00 0.00 176.54 177.55 3b78 n LEU 215 N -4.13 0.00 0.21 3.11 7.94 -1.26 -2.79 117.00 120.08 3b78 n LEU 215 Ca 0.01 0.85 0.06 0.00 -1.11 0.00 0.00 56.01 55.82 3b78 n LEU 215 Cb 0.41 -0.35 0.54 0.00 0.53 0.00 0.00 43.42 44.54 3b78 n LEU 215 CO 0.44 -0.35 0.99 0.45 -1.11 0.00 0.00 177.39 177.81 3b78 h HIS 216 N 0.00 0.07 -0.26 1.96 3.86 -1.95 -3.46 115.15 115.37 3b78 h HIS 216 Ca 0.00 -0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 3b78 h HIS 216 Cb 0.00 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 28.45 3b78 h HIS 216 CO -0.15 0.14 0.00 0.41 0.86 0.00 0.00 177.93 179.19 3b78 n GLY 217 N -1.24 1.11 3.28 2.45 0.00 -0.64 -4.64 105.19 105.52 3b78 n GLY 217 Ca -0.02 -0.30 -0.24 0.00 0.00 0.00 0.00 46.02 45.46 3b78 n GLY 217 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 3b78 s TRP 218 N -2.26 1.76 -0.10 1.61 1.48 -0.81 -1.93 118.94 118.69 3b78 s TRP 218 Ca 0.00 -0.42 -0.30 0.00 -1.06 0.00 0.00 56.10 54.32 3b78 s TRP 218 Cb 0.00 -0.97 0.11 0.00 -1.16 0.00 0.00 33.47 31.45 3b78 s TRP 218 CO 0.00 0.19 0.90 0.00 -4.06 0.00 0.00 176.95 173.98 3b78 s ALA 219 N -1.15 -1.87 0.06 2.67 0.00 -0.22 0.19 121.76 121.43 3b78 s ALA 219 Ca 0.06 1.39 -0.08 0.00 0.00 0.00 0.00 51.96 53.34 3b78 s ALA 219 Cb -0.10 -0.30 -0.01 0.00 0.00 0.00 0.00 23.12 22.71 3b78 s ALA 219 CO 0.04 -0.41 0.15 -0.59 0.00 0.00 0.00 175.76 174.95 3b78 s PHE 220 N -1.58 0.16 0.29 0.00 -0.12 0.98 -4.31 117.98 113.39 3b78 s PHE 220 Ca -0.02 -0.49 0.11 0.00 -0.05 0.00 0.00 56.93 56.47 3b78 s PHE 220 Cb -0.00 -0.10 -0.05 0.00 -0.63 0.00 0.00 43.02 42.24 3b78 s PHE 220 CO 0.01 -0.45 -0.12 0.95 -0.05 0.00 0.00 175.22 175.56 3b78 s THR 221 N -3.09 2.74 0.46 -4.49 -4.23 -1.26 -0.87 115.64 104.90 3b78 s THR 221 Ca -0.01 -2.22 0.12 0.00 -1.18 0.00 0.00 61.69 58.40 3b78 s THR 221 Cb 0.02 -2.52 0.25 0.00 1.34 0.00 0.00 72.50 71.59 3b78 s THR 221 CO -0.07 -0.36 2.08 0.40 -0.54 0.00 0.00 174.62 176.13 3b78 h ILE 222 N 2.11 1.06 -0.85 2.99 2.04 -1.78 -1.80 117.51 121.28 3b78 h ILE 222 Ca -0.42 -0.20 -0.02 0.00 1.00 0.00 0.00 64.86 65.22 3b78 h ILE 222 Cb 1.26 0.90 -0.04 0.00 -0.74 0.00 0.00 36.82 38.20 3b78 h ILE 222 CO 0.61 0.08 0.45 -0.09 0.00 0.00 0.00 178.15 179.20 3b78 h ARG 223 N 0.20 1.20 -0.16 2.37 2.43 -1.91 -1.92 114.38 116.58 3b78 h ARG 223 Ca 0.05 -0.15 -0.00 0.00 -0.81 0.00 0.00 59.98 59.07 3b78 h ARG 223 Cb 0.05 -0.23 -0.01 0.00 -0.42 0.00 0.00 29.97 29.37 3b78 h ARG 223 CO -0.01 0.89 0.09 1.96 -1.51 0.00 0.00 179.97 181.40 3b78 h GLN 224 N 1.20 0.22 -0.57 0.20 4.20 -1.73 -0.40 115.11 118.23 3b78 h GLN 224 Ca 0.30 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.98 3b78 h GLN 224 Cb 0.06 -0.04 -0.03 0.00 0.30 0.00 0.00 27.48 27.77 3b78 h GLN 224 CO -0.04 0.20 0.32 0.74 -0.67 0.00 0.00 178.83 179.37 3b78 h PHE 225 N 0.17 0.79 -0.93 2.96 -1.00 -1.50 -2.52 116.94 114.91 3b78 h PHE 225 Ca 0.06 -0.02 0.07 0.00 2.81 0.00 0.00 57.97 60.89 3b78 h PHE 225 Cb 0.04 -0.25 -0.06 0.00 3.61 0.00 0.00 35.95 39.29 3b78 h PHE 225 CO -0.05 0.57 0.60 0.00 -1.61 0.00 0.00 178.31 177.82 3b78 h ALA 226 N 1.15 1.51 -0.21 2.45 0.00 -0.99 -0.96 119.26 122.20 3b78 h ALA 226 Ca 0.20 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 55.02 3b78 h ALA 226 Cb 0.04 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 3b78 h ALA 226 CO -0.03 0.34 -0.19 1.15 0.00 0.00 0.00 179.25 180.51 3b78 h THR 227 N 1.03 1.23 -0.09 0.00 2.02 -0.67 -1.89 112.91 114.56 3b78 h THR 227 Ca 0.41 -1.07 -0.18 0.00 0.77 0.00 0.00 66.41 66.35 3b78 h THR 227 Cb 0.25 1.29 0.01 0.00 -1.74 0.00 0.00 68.15 67.95 3b78 h THR 227 CO -0.16 0.34 -0.64 0.03 0.37 0.00 0.00 175.52 175.45 3b78 h ARG 228 N 0.34 0.58 0.00 6.66 3.08 -0.84 -3.09 114.38 121.11 3b78 h ARG 228 Ca 0.06 -0.51 0.00 0.00 0.07 0.00 0.00 59.98 59.60 3b78 h ARG 228 Cb 0.54 0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.70 3b78 h ARG 228 CO 0.04 1.14 0.00 0.66 -1.07 0.00 0.00 179.97 180.73 3b78 n TYR 229 N -4.13 0.27 0.69 3.04 4.02 -0.53 -2.17 117.16 118.36 3b78 n TYR 229 Ca -0.09 0.10 0.12 0.00 -0.01 0.00 0.00 57.90 58.02 3b78 n TYR 229 Cb 0.67 -0.66 0.15 0.00 -0.02 0.00 0.00 39.34 39.48 3b78 n TYR 229 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3b78 n ALA 230 N -1.59 3.24 -0.03 -0.72 0.00 -0.72 -3.43 120.51 117.27 3b78 n ALA 230 Ca 0.04 -0.32 -0.01 0.00 0.00 0.00 0.00 53.44 53.14 3b78 n ALA 230 Cb 0.22 -1.10 -0.07 0.00 0.00 0.00 0.00 19.45 18.51 3b78 n ALA 230 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3b78 n LYS 231 N -1.90 1.86 0.10 0.00 5.02 -1.13 -4.33 118.16 117.77 3b78 n LYS 231 Ca 0.03 -0.03 0.12 0.00 -2.02 0.00 0.00 58.31 56.42 3b78 n LYS 231 Cb 0.41 -1.21 0.45 0.00 -0.02 0.00 0.00 35.03 34.66 3b78 n LYS 231 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 3b78 n LYS 232 N -2.14 0.19 0.00 1.97 3.00 -0.92 -4.81 118.16 115.44 3b78 n LYS 232 Ca -0.10 0.30 0.00 0.00 -0.00 0.00 0.00 58.31 58.52 3b78 n LYS 232 Cb 0.59 -1.79 0.00 0.00 0.00 0.00 0.00 35.03 33.83 3b78 n LYS 232 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.40 178.59 3b78 n PHE 233 N -2.13 0.00 -0.83 5.64 3.01 -1.22 -5.08 117.46 116.85 3b78 n PHE 233 Ca 0.04 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.50 3b78 n PHE 233 Cb 0.31 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.78 3b78 n PHE 233 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3b78 n GLY 234 N 1.36 -0.32 3.67 1.37 0.00 -1.26 -4.90 105.19 105.11 3b78 n GLY 234 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 3b78 n GLY 234 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3b78 s VAL 235 N -0.06 2.20 -0.03 1.61 -7.23 -1.26 -4.97 120.40 110.66 3b78 s VAL 235 Ca 0.00 0.06 -0.26 0.00 -1.81 0.00 0.00 61.98 59.98 3b78 s VAL 235 Cb 0.00 -2.14 -0.04 0.00 0.56 0.00 0.00 36.38 34.76 3b78 s VAL 235 CO 0.00 -0.08 0.79 -0.62 -0.31 0.00 0.00 175.10 174.87 3b78 s ASP 236 N -2.75 7.13 0.08 4.85 -1.08 -1.26 -4.66 116.67 118.98 3b78 s ASP 236 Ca 0.66 1.36 -0.26 0.00 -0.52 0.00 0.00 52.55 53.80 3b78 s ASP 236 Cb -0.22 -2.47 -0.16 0.00 -1.46 0.00 0.00 42.92 38.61 3b78 s ASP 236 CO 0.58 -0.13 1.66 0.50 0.52 0.00 0.00 175.17 178.30 3b78 h LYS 237 N 6.58 -0.28 -0.69 4.34 3.64 -1.93 -1.33 116.57 126.89 3b78 h LYS 237 Ca -0.41 0.02 0.08 0.00 -1.27 0.00 0.00 60.65 59.06 3b78 h LYS 237 Cb 1.20 0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 33.05 3b78 h LYS 237 CO 0.74 -0.16 0.46 0.00 -2.27 0.00 0.00 179.45 178.22 3b78 h ALA 238 N 0.45 1.81 0.00 5.00 0.00 -1.94 -0.34 119.26 124.23 3b78 h ALA 238 Ca -0.03 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3b78 h ALA 238 Cb 0.25 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.89 3b78 h ALA 238 CO 0.05 0.07 -0.43 -0.22 0.00 0.00 0.00 179.25 178.72 3b78 h LYS 239 N 0.64 0.00 0.00 0.00 3.64 -1.94 -3.23 116.57 115.68 3b78 h LYS 239 Ca 0.31 0.00 -0.11 0.00 -1.27 0.00 0.00 60.65 59.58 3b78 h LYS 239 Cb 0.37 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.18 3b78 h LYS 239 CO -0.10 0.00 -0.58 1.98 -2.27 0.00 0.00 179.45 178.48 3b78 h MET 240 N 0.00 0.00 0.00 1.90 4.05 0.07 -3.24 114.93 117.71 3b78 h MET 240 Ca 0.00 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 3b78 h MET 240 Cb 0.80 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.60 3b78 h MET 240 CO 0.00 0.99 0.00 0.00 0.23 0.00 0.00 176.91 178.13 3b78 n MET 241 N -4.53 0.12 0.14 0.39 0.00 -0.44 -0.77 117.12 112.02 3b78 n MET 241 Ca -0.20 0.44 0.08 0.00 0.00 0.00 0.00 57.70 58.01 3b78 n MET 241 Cb 0.57 -1.77 0.05 0.00 0.00 0.00 0.00 33.22 32.07 3b78 n MET 241 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 175.97 176.19 3b78 h ASP 242 N 0.00 0.00 0.69 3.17 1.82 -1.65 -3.24 116.42 117.20 3b78 h ASP 242 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 3b78 h ASP 242 Cb 0.23 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.24 3b78 h ASP 242 CO 0.00 0.22 -1.21 0.54 -1.61 0.00 0.00 179.24 177.18 3b78 n ARG 243 N -3.00 0.56 0.00 0.28 1.74 0.05 -4.24 116.66 112.04 3b78 n ARG 243 Ca 0.00 0.03 0.03 0.00 -0.77 0.00 0.00 57.85 57.15 3b78 n ARG 243 Cb 0.64 -1.72 0.20 0.00 -1.02 0.00 0.00 32.46 30.55 3b78 n ARG 243 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 3b78 n LEU 244 N -2.46 0.00 -3.80 0.55 4.77 -0.40 -4.43 117.00 111.24 3b78 n LEU 244 Ca -0.00 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.85 3b78 n LEU 244 Cb 0.53 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.53 3b78 n LEU 244 CO 0.41 0.00 -0.05 0.86 -1.33 0.00 0.00 177.39 177.28 3b78 s TRP 245 N -2.00 -0.12 0.00 -1.77 -0.11 -1.26 -4.03 118.94 109.64 3b78 s TRP 245 Ca 0.10 0.18 0.00 0.00 1.22 0.00 0.00 56.10 57.60 3b78 s TRP 245 Cb 0.05 0.05 0.00 0.00 -1.50 0.00 0.00 33.47 32.07 3b78 s TRP 245 CO 0.08 -0.34 0.00 0.41 -4.62 0.00 0.00 176.95 172.48 3b78 n GLY 246 N 1.48 -0.17 2.88 5.86 0.00 -1.26 -4.50 105.19 109.48 3b78 n GLY 246 Ca -0.21 -1.21 -0.42 0.00 0.00 0.00 0.00 46.02 44.17 3b78 n GLY 246 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3b78 n ASP 247 N 1.32 6.61 -4.05 1.61 8.00 -1.26 -4.74 116.55 124.04 3b78 n ASP 247 Ca 0.00 -3.45 -0.31 0.00 0.71 0.00 0.00 54.79 51.74 3b78 n ASP 247 Cb 0.00 -1.27 -0.16 0.00 -0.02 0.00 0.00 41.12 39.67 3b78 n ASP 247 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 3b78 s SER 248 N -1.42 2.86 -0.06 -2.24 0.01 -1.26 -4.51 113.70 107.09 3b78 s SER 248 Ca 0.34 -0.56 0.06 0.00 1.31 0.00 0.00 55.95 57.11 3b78 s SER 248 Cb 0.09 -1.28 -0.01 0.00 0.21 0.00 0.00 66.02 65.03 3b78 s SER 248 CO 0.04 -0.04 -0.25 -0.36 0.41 0.00 0.00 173.24 173.04 3b78 s PHE 249 N 1.42 2.44 -0.29 2.43 0.08 0.79 -0.95 117.98 123.90 3b78 s PHE 249 Ca 0.05 -0.68 -0.08 0.00 0.12 0.00 0.00 56.93 56.33 3b78 s PHE 249 Cb -0.13 -1.60 -0.01 0.00 -0.57 0.00 0.00 43.02 40.72 3b78 s PHE 249 CO -0.11 -0.19 0.12 0.12 -0.10 0.00 0.00 175.22 175.05 3b78 s PHE 250 N -0.21 3.15 -0.10 0.36 5.36 -1.26 0.01 117.98 125.28 3b78 s PHE 250 Ca -0.02 -0.65 -0.30 0.00 -0.96 0.00 0.00 56.93 55.01 3b78 s PHE 250 Cb -0.13 -2.30 -0.03 0.00 -0.34 0.00 0.00 43.02 40.21 3b78 s PHE 250 CO 0.03 -0.47 1.30 1.21 -1.46 0.00 0.00 175.22 175.83 3b78 s ASN 251 N 1.58 6.94 0.25 6.13 3.84 -0.52 -4.83 114.94 128.34 3b78 s ASN 251 Ca 0.04 1.82 -0.05 0.00 0.21 0.00 0.00 52.86 54.88 3b78 s ASN 251 Cb -0.17 -2.55 0.27 0.00 -0.55 0.00 0.00 41.25 38.26 3b78 s ASN 251 CO 0.05 -0.72 1.88 -0.65 -2.79 0.00 0.00 177.10 174.86 3b78 h PRO 252 N 8.06 1.20 0.00 0.43 0.11 -1.97 0.47 132.00 140.30 3b78 h PRO 252 Ca -0.31 -0.13 -0.00 0.00 0.11 0.00 0.00 66.00 65.66 3b78 h PRO 252 Cb 1.13 -0.24 -0.00 0.00 0.11 0.00 0.00 31.00 32.01 3b78 h PRO 252 CO 0.94 0.87 -0.04 0.87 -0.21 0.00 0.00 178.00 180.43 3b78 h LYS 253 N 1.21 0.00 0.00 1.05 1.57 -1.98 -3.35 116.57 115.06 3b78 h LYS 253 Ca 0.31 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 59.02 3b78 h LYS 253 Cb 0.02 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.32 3b78 h LYS 253 CO -0.05 0.20 -0.31 1.15 -0.57 0.00 0.00 179.45 179.87 3b78 h THR 254 N -1.00 1.19 -5.82 -0.16 2.02 -1.99 -3.46 112.91 103.69 3b78 h THR 254 Ca -0.00 -1.09 -0.42 0.00 0.77 0.00 0.00 66.41 65.66 3b78 h THR 254 Cb 0.23 1.59 0.07 0.00 -1.74 0.00 0.00 68.15 68.30 3b78 h THR 254 CO -0.00 0.31 -0.69 0.29 0.37 0.00 0.00 175.52 175.79 3b78 n LYS 255 N -4.11 -6.76 -4.47 6.66 5.02 0.16 -5.01 118.16 109.65 3b78 n LYS 255 Ca -0.02 0.76 -0.24 0.00 -2.02 0.00 0.00 58.31 56.79 3b78 n LYS 255 Cb 0.36 -5.74 -0.10 0.00 -0.02 0.00 0.00 35.03 29.53 3b78 n LYS 255 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 3b78 s LYS 256 N -6.33 1.67 0.11 1.97 3.01 -1.24 -4.92 119.74 114.01 3b78 s LYS 256 Ca 0.58 -1.80 -0.17 0.00 -1.01 0.00 0.00 55.97 53.56 3b78 s LYS 256 Cb -0.27 -1.61 -0.07 0.00 -1.01 0.00 0.00 37.83 34.87 3b78 s LYS 256 CO 0.71 0.22 0.57 -1.58 0.51 0.00 0.00 175.35 175.78 3b78 s TRP 257 N -2.65 3.71 0.03 3.18 0.52 -1.26 -1.43 118.94 121.04 3b78 s TRP 257 Ca 0.30 1.18 -0.07 0.00 0.02 0.00 0.00 56.10 57.54 3b78 s TRP 257 Cb -0.01 -2.45 -0.01 0.00 -1.15 0.00 0.00 33.47 29.86 3b78 s TRP 257 CO 0.14 0.50 0.13 0.99 0.02 0.00 0.00 176.95 178.73 3b78 s THR 258 N -1.29 0.12 -1.96 2.01 2.01 0.10 -4.98 115.64 111.65 3b78 s THR 258 Ca 0.34 -0.99 0.18 0.00 0.31 0.00 0.00 61.69 61.53 3b78 s THR 258 Cb -0.17 -0.83 0.07 0.00 0.01 0.00 0.00 72.50 71.58 3b78 s THR 258 CO 0.19 -0.54 1.00 0.59 -0.69 0.00 0.00 174.62 175.16 3b78 n ASN 259 N 0.85 2.13 -4.87 3.53 3.02 -1.26 -0.15 115.26 118.51 3b78 n ASN 259 Ca -0.19 -1.57 -0.37 0.00 -0.03 0.00 0.00 54.58 52.42 3b78 n ASN 259 Cb 0.58 0.24 -0.06 0.00 -0.61 0.00 0.00 39.78 39.93 3b78 n ASN 259 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 3b78 s LYS 260 N -1.79 3.53 0.00 3.52 1.02 -1.26 -4.80 119.74 119.95 3b78 s LYS 260 Ca 0.18 -0.07 0.02 0.00 0.02 0.00 0.00 55.97 56.12 3b78 s LYS 260 Cb 0.15 -3.20 0.14 0.00 -0.52 0.00 0.00 37.83 34.39 3b78 s LYS 260 CO 0.34 0.75 0.97 -0.40 -0.92 0.00 0.00 175.35 176.08 3b78 n ASP 261 N 2.03 0.00 -3.86 2.83 5.75 -1.26 -4.74 116.55 117.31 3b78 n ASP 261 Ca -0.19 -1.68 -0.11 0.00 -0.01 0.00 0.00 54.79 52.80 3b78 n ASP 261 Cb 0.55 0.00 -0.10 0.00 -1.03 0.00 0.00 41.12 40.54 3b78 n ASP 261 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 3b78 s THR 262 N -2.00 0.08 0.98 2.12 -4.23 -1.26 0.32 115.64 111.64 3b78 s THR 262 Ca 0.03 -0.65 -0.16 0.00 -1.18 0.00 0.00 61.69 59.73 3b78 s THR 262 Cb 0.02 -0.45 0.21 0.00 1.34 0.00 0.00 72.50 73.62 3b78 s THR 262 CO 0.03 -0.36 1.33 1.51 -0.54 0.00 0.00 174.62 176.59 3b78 s ASP 263 N -1.34 2.94 0.46 3.99 1.47 -0.94 -4.86 116.67 118.39 3b78 s ASP 263 Ca -0.14 0.23 0.31 0.00 1.18 0.00 0.00 52.55 54.13 3b78 s ASP 263 Cb -0.07 -0.24 1.65 0.00 -0.34 0.00 0.00 42.92 43.92 3b78 s ASP 263 CO 0.02 -2.84 1.95 0.00 0.68 0.00 0.00 175.17 174.98 3b78 h ALA 264 N -1.72 1.00 0.00 2.11 0.00 -2.00 -0.40 119.26 118.25 3b78 h ALA 264 Ca -0.44 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.39 3b78 h ALA 264 Cb 1.23 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 3b78 h ALA 264 CO 0.35 0.00 -0.87 1.49 0.00 0.00 0.00 179.25 180.22 3b78 h GLU 265 N 0.00 0.00 0.00 0.00 4.81 -2.05 -3.48 114.58 113.87 3b78 h GLU 265 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 3b78 h GLU 265 Cb 0.05 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.43 3b78 h GLU 265 CO 0.00 0.19 0.00 0.41 -0.73 0.00 0.00 179.01 178.88 3b78 n GLY 266 N 1.24 1.04 3.73 1.92 0.00 -0.16 -5.08 105.19 107.88 3b78 n GLY 266 Ca -0.02 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.61 3b78 n GLY 266 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3b78 s LYS 267 N -0.84 4.35 0.49 1.61 2.20 -1.26 -4.81 119.74 121.49 3b78 s LYS 267 Ca 0.00 0.66 -0.22 0.00 -0.36 0.00 0.00 55.97 56.05 3b78 s LYS 267 Cb 0.00 -3.41 -0.09 0.00 -1.51 0.00 0.00 37.83 32.83 3b78 s LYS 267 CO 0.00 0.20 0.93 -2.30 -0.36 0.00 0.00 175.35 173.82 3b78 n PRO 268 N 3.40 1.10 -4.55 4.03 -0.02 -1.26 -2.22 135.00 135.47 3b78 n PRO 268 Ca -0.05 0.40 -0.29 0.00 -2.02 0.00 0.00 63.50 61.55 3b78 n PRO 268 Cb 0.51 -2.02 -0.14 0.00 -0.02 0.00 0.00 33.50 31.83 3b78 n PRO 268 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3b78 s LEU 269 N -0.75 2.26 -0.11 2.45 1.43 0.15 -4.84 118.68 119.28 3b78 s LEU 269 Ca 0.67 -0.68 -0.17 0.00 -1.03 0.00 0.00 54.13 52.92 3b78 s LEU 269 Cb -0.50 -1.19 -0.04 0.00 0.03 0.00 0.00 46.19 44.48 3b78 s LEU 269 CO 0.54 0.19 0.45 -0.70 0.23 0.00 0.00 176.35 177.05 3b78 s GLU 270 N -1.74 4.28 0.82 1.70 2.12 -1.26 -4.84 118.70 119.78 3b78 s GLU 270 Ca 0.12 0.41 -0.12 0.00 0.36 0.00 0.00 54.97 55.74 3b78 s GLU 270 Cb -0.10 -3.41 0.09 0.00 0.26 0.00 0.00 34.13 30.97 3b78 s GLU 270 CO 0.04 0.24 1.15 -0.98 -0.54 0.00 0.00 175.26 175.18 3b78 s ARG 271 N 0.37 1.70 0.32 4.30 1.70 -1.26 -4.18 118.95 121.90 3b78 s ARG 271 Ca 0.25 1.53 0.03 0.00 -0.47 0.00 0.00 55.73 57.07 3b78 s ARG 271 Cb -0.15 -1.81 0.55 0.00 -0.57 0.00 0.00 34.95 32.98 3b78 s ARG 271 CO 0.10 -2.12 1.85 0.00 -1.08 0.00 0.00 175.30 174.05 3b78 h ALA 272 N -1.14 1.32 -0.81 7.88 0.00 -1.28 -2.33 119.26 122.89 3b78 h ALA 272 Ca -0.45 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.24 3b78 h ALA 272 Cb 1.27 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.86 3b78 h ALA 272 CO 0.47 0.46 0.50 0.35 0.00 0.00 0.00 179.25 181.03 3b78 h PHE 273 N 0.54 1.07 0.00 0.00 3.57 -1.81 0.18 116.94 120.48 3b78 h PHE 273 Ca 0.11 -0.00 -0.14 0.00 3.53 0.00 0.00 57.97 61.47 3b78 h PHE 273 Cb 0.36 -0.35 -0.02 0.00 2.79 0.00 0.00 35.95 38.73 3b78 h PHE 273 CO 0.01 0.71 -0.66 -0.91 -2.23 0.00 0.00 178.31 175.23 3b78 h ASN 274 N 1.12 0.00 0.09 0.41 2.35 -1.84 -1.36 115.58 116.34 3b78 h ASN 274 Ca 0.29 0.00 -0.27 0.00 -0.55 0.00 0.00 56.30 55.77 3b78 h ASN 274 Cb -0.05 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.31 3b78 h ASN 274 CO -0.06 0.66 -1.41 -0.03 -1.65 0.00 0.00 177.43 174.95 3b78 h MET 275 N 0.00 0.19 0.00 0.81 4.05 -0.89 -1.11 114.93 117.99 3b78 h MET 275 Ca -0.01 -0.32 -0.14 0.00 -0.28 0.00 0.00 59.70 58.95 3b78 h MET 275 Cb 1.28 0.12 -0.03 0.00 -0.80 0.00 0.00 31.60 32.17 3b78 h MET 275 CO 0.09 1.16 -1.79 1.19 0.23 0.00 0.00 176.91 177.78 3b78 n PHE 276 N -3.99 0.42 -0.03 1.39 3.72 0.57 -4.30 117.46 115.24 3b78 n PHE 276 Ca -0.27 0.14 -0.05 0.00 -0.05 0.00 0.00 57.45 57.22 3b78 n PHE 276 Cb 0.86 -0.86 -0.02 0.00 -0.94 0.00 0.00 39.48 38.53 3b78 n PHE 276 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 176.76 175.82 3b78 n ILE 277 N -2.62 1.29 -0.14 4.37 5.41 -1.00 -4.62 119.36 122.04 3b78 n ILE 277 Ca -0.12 0.25 -0.12 0.00 1.00 0.00 0.00 62.75 63.75 3b78 n ILE 277 Cb 0.79 -2.00 -0.01 0.00 -0.71 0.00 0.00 39.64 37.71 3b78 n ILE 277 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 3b78 h LEU 278 N -0.57 1.02 -0.05 1.39 3.38 -1.35 -3.23 115.31 115.91 3b78 h LEU 278 Ca 0.00 -0.43 0.01 0.00 0.09 0.00 0.00 57.88 57.55 3b78 h LEU 278 Cb 0.57 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 3b78 h LEU 278 CO 0.00 1.23 -0.00 -0.78 0.09 0.00 0.00 178.44 178.98 3b78 h ASP 279 N 0.82 -0.02 -0.16 -0.43 -0.00 -1.38 0.31 116.42 115.56 3b78 h ASP 279 Ca 0.09 0.01 0.05 0.00 -0.00 0.00 0.00 57.03 57.17 3b78 h ASP 279 Cb 0.89 0.02 -0.01 0.00 -0.00 0.00 0.00 39.33 40.23 3b78 h ASP 279 CO 0.08 -0.00 0.12 -0.65 -0.00 0.00 0.00 179.24 178.79 3b78 h PRO 280 N 0.02 0.00 0.11 0.28 0.11 -1.79 -0.37 132.00 130.36 3b78 h PRO 280 Ca 0.02 0.00 -0.19 0.00 0.11 0.00 0.00 66.00 65.94 3b78 h PRO 280 Cb 0.03 0.00 0.02 0.00 0.11 0.00 0.00 31.00 31.16 3b78 h PRO 280 CO -0.04 0.00 -0.81 0.82 -0.21 0.00 0.00 178.00 177.76 3b78 h ILE 281 N 0.00 1.48 -0.05 4.15 2.04 -1.36 -3.25 117.51 120.52 3b78 h ILE 281 Ca 0.08 -2.43 0.01 0.00 1.00 0.00 0.00 64.86 63.51 3b78 h ILE 281 Cb 0.31 3.04 -0.00 0.00 -0.74 0.00 0.00 36.82 39.43 3b78 h ILE 281 CO -0.00 0.70 0.04 -0.26 0.00 0.00 0.00 178.15 178.62 3b78 h PHE 282 N -0.26 0.02 0.26 1.37 -1.00 0.09 -2.46 116.94 114.97 3b78 h PHE 282 Ca -0.13 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.64 3b78 h PHE 282 Cb 1.60 -0.01 -0.01 0.00 3.61 0.00 0.00 35.95 41.14 3b78 h PHE 282 CO 0.18 0.01 -0.25 0.00 -1.61 0.00 0.00 178.31 176.64 3b78 h ARG 283 N 0.02 -0.49 -0.85 1.51 -0.00 -1.11 -1.19 114.38 112.27 3b78 h ARG 283 Ca 0.02 0.03 0.11 0.00 -0.50 0.00 0.00 59.98 59.64 3b78 h ARG 283 Cb 0.07 0.11 -0.06 0.00 0.00 0.00 0.00 29.97 30.09 3b78 h ARG 283 CO -0.00 -0.33 0.55 -0.07 0.00 0.00 0.00 179.97 180.12 3b78 h LEU 284 N -0.51 0.70 -1.32 3.04 3.38 -1.56 0.27 115.31 119.31 3b78 h LEU 284 Ca -0.03 0.02 -0.07 0.00 0.09 0.00 0.00 57.88 57.89 3b78 h LEU 284 Cb 0.44 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 3b78 h LEU 284 CO -0.03 0.40 -0.32 -0.26 0.09 0.00 0.00 178.44 178.33 3b78 h PHE 285 N 0.77 0.00 0.07 1.13 0.04 -1.32 -0.45 116.94 117.19 3b78 h PHE 285 Ca 0.40 0.00 -0.34 0.00 2.80 0.00 0.00 57.97 60.83 3b78 h PHE 285 Cb 0.50 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.61 3b78 h PHE 285 CO -0.00 0.32 -1.89 2.41 -0.60 0.00 0.00 178.31 178.55 3b78 n THR 286 N -3.85 1.71 0.02 -1.55 -1.04 -0.19 -3.42 114.28 105.96 3b78 n THR 286 Ca -0.01 -0.72 -0.18 0.00 -2.04 0.00 0.00 64.05 61.10 3b78 n THR 286 Cb 0.40 -1.44 -0.11 0.00 -1.82 0.00 0.00 70.33 67.36 3b78 n THR 286 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3b78 h ALA 287 N 0.46 0.06 0.11 2.41 0.00 -0.50 -3.22 119.26 118.57 3b78 h ALA 287 Ca -0.37 -0.61 -0.23 0.00 0.00 0.00 0.00 54.91 53.70 3b78 h ALA 287 Cb 2.03 0.05 0.02 0.00 0.00 0.00 0.00 17.79 19.89 3b78 h ALA 287 CO 0.08 0.42 -0.95 0.82 0.00 0.00 0.00 179.25 179.63 3b78 h ILE 288 N -0.03 1.40 0.00 0.00 2.04 -1.28 -2.02 117.51 117.61 3b78 h ILE 288 Ca -0.10 -2.41 0.00 0.00 1.00 0.00 0.00 64.86 63.35 3b78 h ILE 288 Cb 1.44 2.88 0.00 0.00 -0.74 0.00 0.00 36.82 40.40 3b78 h ILE 288 CO 0.14 0.71 0.00 0.23 0.00 0.00 0.00 178.15 179.23 3b78 n MET 289 N -4.01 0.14 -0.15 2.37 2.81 -1.22 -1.78 117.12 115.29 3b78 n MET 289 Ca -0.13 0.37 0.08 0.00 -1.81 0.00 0.00 57.70 56.21 3b78 n MET 289 Cb 0.86 -1.77 0.15 0.00 -0.71 0.00 0.00 33.22 31.75 3b78 n MET 289 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 3b78 n ASN 290 N -2.04 2.89 -2.98 7.83 3.02 -1.22 -4.94 115.26 117.82 3b78 n ASN 290 Ca 0.03 -1.86 -0.22 0.00 -0.03 0.00 0.00 54.58 52.50 3b78 n ASN 290 Cb 0.22 -0.19 0.03 0.00 -0.61 0.00 0.00 39.78 39.22 3b78 n ASN 290 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 3b78 n PHE 291 N 0.90 -1.85 -2.57 3.10 3.72 -0.73 -4.88 117.46 115.15 3b78 n PHE 291 Ca 0.13 0.45 -0.43 0.00 -0.05 0.00 0.00 57.45 57.56 3b78 n PHE 291 Cb 0.45 -4.24 0.00 0.00 -0.94 0.00 0.00 39.48 34.75 3b78 n PHE 291 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 3b78 n LYS 292 N -3.87 3.20 0.00 -1.08 5.02 -0.77 -4.80 118.16 115.86 3b78 n LYS 292 Ca -0.12 -3.28 0.04 0.00 -2.02 0.00 0.00 58.31 52.93 3b78 n LYS 292 Cb 0.62 -3.47 0.20 0.00 -0.02 0.00 0.00 35.03 32.35 3b78 n LYS 292 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 3b78 n LYS 293 N 8.21 0.15 -0.02 1.97 2.85 -1.26 -1.70 118.16 128.36 3b78 n LYS 293 Ca 0.49 0.14 -0.04 0.00 -1.05 0.00 0.00 58.31 57.85 3b78 n LYS 293 Cb 0.46 -1.50 -0.13 0.00 -0.65 0.00 0.00 35.03 33.21 3b78 n LYS 293 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 3b78 n ASP 294 N -1.18 0.57 -0.01 -5.58 8.00 -1.26 -4.37 116.55 112.71 3b78 n ASP 294 Ca 0.04 0.26 -0.20 0.00 0.71 0.00 0.00 54.79 55.60 3b78 n ASP 294 Cb 0.05 0.48 -0.13 0.00 -0.02 0.00 0.00 41.12 41.49 3b78 n ASP 294 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 3b78 h GLU 295 N 0.00 0.18 -0.56 -1.24 5.08 -1.71 -3.40 114.58 112.94 3b78 h GLU 295 Ca -0.28 -0.31 0.10 0.00 -1.00 0.00 0.00 59.36 57.87 3b78 h GLU 295 Cb 1.82 0.12 -0.11 0.00 0.50 0.00 0.00 28.75 31.08 3b78 h GLU 295 CO 0.05 1.15 -0.35 0.82 -1.00 0.00 0.00 179.01 179.67 3b78 h ILE 296 N -0.53 0.16 -0.85 3.13 2.04 -1.72 0.14 117.51 119.88 3b78 h ILE 296 Ca -0.23 0.00 0.08 0.00 1.00 0.00 0.00 64.86 65.71 3b78 h ILE 296 Cb 1.56 0.16 -0.06 0.00 -0.74 0.00 0.00 36.82 37.74 3b78 h ILE 296 CO 0.03 0.00 0.55 1.55 0.00 0.00 0.00 178.15 180.28 3b78 h PRO 297 N -0.19 0.85 0.00 2.37 0.13 -1.78 0.11 132.00 133.49 3b78 h PRO 297 Ca 0.21 -0.05 -0.10 0.00 -0.87 0.00 0.00 66.00 65.19 3b78 h PRO 297 Cb 0.55 -0.19 -0.01 0.00 0.13 0.00 0.00 31.00 31.48 3b78 h PRO 297 CO -0.66 0.56 -0.49 0.28 -0.23 0.00 0.00 178.00 177.46 3b78 h VAL 298 N 0.87 0.86 0.15 1.56 2.07 -1.37 -3.09 116.25 117.30 3b78 h VAL 298 Ca 0.38 -2.18 -0.30 0.00 0.82 0.00 0.00 66.70 65.42 3b78 h VAL 298 Cb 0.34 2.40 0.01 0.00 -1.52 0.00 0.00 31.29 32.51 3b78 h VAL 298 CO -0.15 0.48 -1.44 0.25 0.02 0.00 0.00 177.57 176.73 3b78 h LEU 299 N 0.00 0.49 -0.16 2.57 5.85 0.59 -3.04 115.31 121.61 3b78 h LEU 299 Ca -0.00 -0.60 -0.03 0.00 0.84 0.00 0.00 57.88 58.08 3b78 h LEU 299 Cb 1.36 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 42.22 3b78 h LEU 299 CO 0.06 1.48 -0.04 -0.07 -0.34 0.00 0.00 178.44 179.54 3b78 h LEU 300 N 0.09 0.31 -2.31 2.25 4.07 -0.94 -2.66 115.31 116.11 3b78 h LEU 300 Ca -0.22 -0.36 0.02 0.00 0.08 0.00 0.00 57.88 57.41 3b78 h LEU 300 Cb 2.03 -0.09 -0.00 0.00 1.08 0.00 0.00 40.66 43.68 3b78 h LEU 300 CO 0.20 0.60 0.09 -0.08 -1.08 0.00 0.00 178.44 178.16 3b78 h GLU 301 N 0.02 0.00 0.00 1.13 4.81 -1.65 0.55 114.58 119.43 3b78 h GLU 301 Ca 0.04 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.27 3b78 h GLU 301 Cb 0.46 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.84 3b78 h GLU 301 CO 0.02 0.00 0.00 -0.22 -0.73 0.00 0.00 179.01 178.08 3b78 h LYS 302 N 0.00 0.00 0.00 1.92 3.64 -1.35 -3.18 116.57 117.60 3b78 h LYS 302 Ca 0.04 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.42 3b78 h LYS 302 Cb 0.21 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.03 3b78 h LYS 302 CO -0.00 0.00 -0.18 1.28 -2.27 0.00 0.00 179.45 178.28 3b78 n LEU 303 N -2.41 2.44 -3.63 5.20 4.77 0.12 -4.99 117.00 118.50 3b78 n LEU 303 Ca 0.04 -3.34 -0.21 0.00 -0.03 0.00 0.00 56.01 52.46 3b78 n LEU 303 Cb 0.36 -0.46 0.06 0.00 -2.33 0.00 0.00 43.42 41.04 3b78 n LEU 303 CO 0.27 0.94 0.05 -0.62 -1.33 0.00 0.00 177.39 176.70 3b78 n GLU 304 N -1.31 -5.90 -3.97 3.23 -0.58 -1.08 -4.97 120.64 106.06 3b78 n GLU 304 Ca 0.17 0.71 -0.34 0.00 -0.42 0.00 0.00 57.16 57.29 3b78 n GLU 304 Cb 0.66 -5.52 -0.14 0.00 -0.57 0.00 0.00 31.44 25.87 3b78 n GLU 304 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 3b78 s ILE 305 N -3.48 2.64 -0.36 -3.67 1.01 -0.79 -5.04 121.20 111.51 3b78 s ILE 305 Ca 0.16 -1.63 -0.07 0.00 0.00 0.00 0.00 60.65 59.10 3b78 s ILE 305 Cb -0.07 -2.60 0.05 0.00 0.01 0.00 0.00 42.46 39.85 3b78 s ILE 305 CO 0.78 -0.18 0.14 0.68 0.00 0.00 0.00 174.94 176.37 3b78 s VAL 306 N 1.15 3.87 0.77 2.92 -7.23 -1.26 -4.34 120.40 116.28 3b78 s VAL 306 Ca -0.04 -1.23 -0.12 0.00 -1.81 0.00 0.00 61.98 58.79 3b78 s VAL 306 Cb -0.20 -3.25 0.06 0.00 0.56 0.00 0.00 36.38 33.55 3b78 s VAL 306 CO -0.03 -0.27 1.11 -0.76 -0.31 0.00 0.00 175.10 174.83 3b78 s LEU 307 N 1.40 3.09 -1.00 1.32 1.43 -1.26 -4.96 118.68 118.70 3b78 s LEU 307 Ca -0.00 1.95 -0.01 0.00 -1.03 0.00 0.00 54.13 55.04 3b78 s LEU 307 Cb -0.20 -4.54 0.31 0.00 0.03 0.00 0.00 46.19 41.79 3b78 s LEU 307 CO 0.02 -2.16 1.56 0.29 0.23 0.00 0.00 176.35 176.30 3b78 n LYS 308 N -3.38 4.73 0.00 1.70 4.76 -1.26 -4.97 118.16 119.74 3b78 n LYS 308 Ca 0.10 -4.64 0.00 0.00 -2.87 0.00 0.00 58.31 50.90 3b78 n LYS 308 Cb 0.52 -2.46 0.00 0.00 -1.84 0.00 0.00 35.03 31.26 3b78 n LYS 308 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3b78 n GLY 309 N 0.54 0.62 0.37 0.72 0.00 -1.26 -3.59 105.19 102.59 3b78 n GLY 309 Ca 0.36 0.58 0.13 0.00 0.00 0.00 0.00 46.02 47.09 3b78 n GLY 309 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 3b78 h ASP 310 N 0.00 0.58 0.26 1.61 -0.00 -2.04 -0.93 116.42 115.90 3b78 h ASP 310 Ca 0.00 0.03 0.00 0.00 -0.00 0.00 0.00 57.03 57.06 3b78 h ASP 310 Cb 0.00 -0.08 0.00 0.00 -0.00 0.00 0.00 39.33 39.25 3b78 h ASP 310 CO 0.00 0.30 0.00 -0.62 -0.00 0.00 0.00 179.24 178.92 3b78 n GLU 311 N -4.54 0.18 0.18 0.28 1.02 -1.24 -3.02 120.64 113.51 3b78 n GLU 311 Ca 0.16 0.16 0.08 0.00 -0.02 0.00 0.00 57.16 57.55 3b78 n GLU 311 Cb 0.48 -1.50 0.11 0.00 -0.02 0.00 0.00 31.44 30.51 3b78 n GLU 311 CO 0.00 0.00 0.00 1.57 1.18 0.00 0.00 177.13 179.88 3b78 h LYS 312 N 0.00 0.00 -0.35 3.49 5.09 -1.47 -3.23 116.57 120.10 3b78 h LYS 312 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.74 3b78 h LYS 312 Cb 0.13 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.46 3b78 h LYS 312 CO 0.00 0.23 0.00 -0.40 -2.09 0.00 0.00 179.45 177.19 3b78 n ASP 313 N -3.16 1.80 -4.86 7.07 5.68 -1.17 -4.91 116.55 117.00 3b78 n ASP 313 Ca 0.03 -2.02 -0.31 0.00 -0.50 0.00 0.00 54.79 51.99 3b78 n ASP 313 Cb 0.62 -0.23 -0.03 0.00 -1.14 0.00 0.00 41.12 40.34 3b78 n ASP 313 CO 0.00 0.00 0.00 -0.76 -1.33 0.00 0.00 177.20 175.11 3b78 s LEU 314 N -1.01 3.72 -0.17 -2.12 1.43 -1.22 -5.08 118.68 114.23 3b78 s LEU 314 Ca 0.22 1.32 -0.23 0.00 -1.03 0.00 0.00 54.13 54.40 3b78 s LEU 314 Cb 0.12 -4.23 0.06 0.00 0.03 0.00 0.00 46.19 42.17 3b78 s LEU 314 CO 0.15 -0.49 0.62 -1.83 0.23 0.00 0.00 176.35 175.02 3b78 s GLU 315 N -4.00 0.81 2.10 1.70 -1.05 -1.26 -4.67 118.70 112.32 3b78 s GLU 315 Ca 0.54 0.64 0.00 0.00 -0.15 0.00 0.00 54.97 56.01 3b78 s GLU 315 Cb -0.10 0.39 0.00 0.00 -0.44 0.00 0.00 34.13 33.98 3b78 s GLU 315 CO 0.32 -0.15 0.00 0.41 0.95 0.00 0.00 175.26 176.79 3b78 n GLY 316 N 2.19 0.71 0.21 -3.83 0.00 -1.26 -3.93 105.19 99.28 3b78 n GLY 316 Ca -0.16 -1.26 -0.01 0.00 0.00 0.00 0.00 46.02 44.59 3b78 n GLY 316 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3b78 h LYS 317 N 0.00 0.27 0.00 1.61 6.56 -1.97 -1.13 116.57 121.91 3b78 h LYS 317 Ca 0.00 -0.11 -0.03 0.00 -1.06 0.00 0.00 60.65 59.45 3b78 h LYS 317 Cb 0.00 -0.01 -0.00 0.00 -0.57 0.00 0.00 32.23 31.64 3b78 h LYS 317 CO 0.00 0.58 -0.15 0.00 -2.06 0.00 0.00 179.45 177.82 3b78 h ALA 318 N 1.42 1.72 0.05 3.86 0.00 -1.98 -2.01 119.26 122.33 3b78 h ALA 318 Ca 0.03 -0.13 -0.27 0.00 0.00 0.00 0.00 54.91 54.54 3b78 h ALA 318 Cb 0.71 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 3b78 h ALA 318 CO 0.05 0.18 -1.46 1.25 0.00 0.00 0.00 179.25 179.28 3b78 h LEU 319 N 0.00 0.17 -1.14 0.00 5.85 -1.65 -3.35 115.31 115.20 3b78 h LEU 319 Ca -0.00 -0.69 0.07 0.00 0.84 0.00 0.00 57.88 58.09 3b78 h LEU 319 Cb 0.26 -0.05 -0.06 0.00 0.37 0.00 0.00 40.66 41.18 3b78 h LEU 319 CO 0.02 1.60 0.59 0.25 -0.34 0.00 0.00 178.44 180.56 3b78 h LEU 320 N -0.61 0.91 -0.08 2.25 5.85 -1.15 -1.84 115.31 120.64 3b78 h LEU 320 Ca -0.36 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.36 3b78 h LEU 320 Cb 1.56 -0.19 -0.00 0.00 0.37 0.00 0.00 40.66 42.40 3b78 h LEU 320 CO -0.09 0.58 0.03 0.11 -0.34 0.00 0.00 178.44 178.73 3b78 h LYS 321 N 1.03 0.12 -0.69 1.25 1.57 -1.55 -1.79 116.57 116.51 3b78 h LYS 321 Ca 0.39 -0.02 -0.05 0.00 -1.87 0.00 0.00 60.65 59.09 3b78 h LYS 321 Cb 0.20 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.47 3b78 h LYS 321 CO -0.15 0.26 0.22 0.28 -0.57 0.00 0.00 179.45 179.50 3b78 h VAL 322 N -0.05 1.25 -0.43 0.50 2.07 -1.59 -2.62 116.25 115.38 3b78 h VAL 322 Ca 0.03 -0.87 -0.09 0.00 0.82 0.00 0.00 66.70 66.59 3b78 h VAL 322 Cb 0.19 0.51 -0.01 0.00 -1.52 0.00 0.00 31.29 30.46 3b78 h VAL 322 CO -0.00 0.34 -0.08 0.58 0.02 0.00 0.00 177.57 178.43 3b78 h VAL 323 N 1.01 1.27 -0.25 2.57 2.07 -1.31 -2.81 116.25 118.79 3b78 h VAL 323 Ca 0.22 -1.17 -0.06 0.00 0.82 0.00 0.00 66.70 66.51 3b78 h VAL 323 Cb 0.29 1.15 -0.01 0.00 -1.52 0.00 0.00 31.29 31.20 3b78 h VAL 323 CO -0.01 0.40 -0.11 0.24 0.02 0.00 0.00 177.57 178.11 3b78 h MET 324 N 0.64 0.41 -0.01 1.57 2.07 -1.21 -1.68 114.93 116.72 3b78 h MET 324 Ca 0.11 -0.11 -0.00 0.00 -2.07 0.00 0.00 59.70 57.63 3b78 h MET 324 Cb 0.60 -0.05 -0.00 0.00 -1.87 0.00 0.00 31.60 30.28 3b78 h MET 324 CO 0.04 0.53 -0.01 0.00 1.07 0.00 0.00 176.91 178.54 3b78 h ARG 325 N 0.39 0.03 0.00 1.72 3.08 -1.39 -0.12 114.38 118.09 3b78 h ARG 325 Ca 0.08 -0.01 -0.02 0.00 0.07 0.00 0.00 59.98 60.10 3b78 h ARG 325 Cb 0.43 -0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.48 3b78 h ARG 325 CO 0.02 0.45 -0.07 0.87 -1.07 0.00 0.00 179.97 180.17 3b78 h LYS 326 N -0.39 0.00 0.00 0.04 1.79 -1.38 -2.47 116.57 114.15 3b78 h LYS 326 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 3b78 h LYS 326 Cb 0.44 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.09 3b78 h LYS 326 CO 0.00 0.07 -0.27 0.35 -1.08 0.00 0.00 179.45 178.52 3b78 h PHE 327 N 0.00 0.00 -2.55 -1.35 3.57 -1.18 -3.44 116.94 112.00 3b78 h PHE 327 Ca -0.00 0.00 -0.60 0.00 3.53 0.00 0.00 57.97 60.90 3b78 h PHE 327 Cb 0.23 0.00 -0.41 0.00 2.79 0.00 0.00 35.95 38.56 3b78 h PHE 327 CO 0.00 0.00 -0.72 1.28 -2.23 0.00 0.00 178.31 176.64 3b78 n LEU 328 N -4.54 2.24 -4.65 0.59 4.77 -0.07 -5.09 117.00 110.25 3b78 n LEU 328 Ca -0.04 -5.06 -0.52 0.00 -0.03 0.00 0.00 56.01 50.36 3b78 n LEU 328 Cb 0.14 -0.31 -0.06 0.00 -2.33 0.00 0.00 43.42 40.86 3b78 n LEU 328 CO 0.06 1.91 1.49 -2.65 -1.33 0.00 0.00 177.39 176.86 3b78 n PRO 329 N 1.71 1.57 -0.14 3.23 -0.02 -0.93 -1.06 135.00 139.36 3b78 n PRO 329 Ca 0.25 0.56 -0.03 0.00 -2.02 0.00 0.00 63.50 62.25 3b78 n PRO 329 Cb 0.41 -2.41 0.05 0.00 -0.02 0.00 0.00 33.50 31.53 3b78 n PRO 329 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3b78 h ALA 330 N 9.07 0.42 -0.27 3.55 0.00 -1.58 -2.71 119.26 127.75 3b78 h ALA 330 Ca -0.44 0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.58 3b78 h ALA 330 Cb 1.30 0.24 -0.01 0.00 0.00 0.00 0.00 17.79 19.31 3b78 h ALA 330 CO 0.97 -0.39 0.05 0.00 0.00 0.00 0.00 179.25 179.87 3b78 h ALA 331 N 1.41 1.58 -0.22 0.00 0.00 -1.86 -2.17 119.26 117.99 3b78 h ALA 331 Ca 0.23 -0.13 -0.08 0.00 0.00 0.00 0.00 54.91 54.94 3b78 h ALA 331 Cb 0.34 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 3b78 h ALA 331 CO -0.39 0.32 -0.19 -0.44 0.00 0.00 0.00 179.25 178.55 3b78 h ASP 332 N 0.39 0.38 0.62 0.00 3.45 -1.84 -0.06 116.42 119.36 3b78 h ASP 332 Ca 0.09 -0.11 -0.18 0.00 0.43 0.00 0.00 57.03 57.26 3b78 h ASP 332 Cb 0.18 -0.10 -0.02 0.00 -0.56 0.00 0.00 39.33 38.84 3b78 h ASP 332 CO -0.00 0.59 -0.82 0.00 -1.57 0.00 0.00 179.24 177.44 3b78 h ALA 333 N 1.45 0.61 -0.00 3.45 0.00 -1.40 -2.73 119.26 120.63 3b78 h ALA 333 Ca 0.06 -0.70 -0.09 0.00 0.00 0.00 0.00 54.91 54.18 3b78 h ALA 333 Cb 0.54 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.25 3b78 h ALA 333 CO 0.04 0.92 -0.34 -0.07 0.00 0.00 0.00 179.25 179.79 3b78 h LEU 334 N 0.08 0.31 -1.28 0.00 3.38 -1.12 -3.08 115.31 113.59 3b78 h LEU 334 Ca -0.03 -0.77 0.03 0.00 0.09 0.00 0.00 57.88 57.20 3b78 h LEU 334 Cb 1.43 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 42.04 3b78 h LEU 334 CO 0.12 1.04 0.50 -0.07 0.09 0.00 0.00 178.44 180.11 3b78 h LEU 335 N -0.38 0.81 -0.04 1.67 3.38 -1.11 -2.11 115.31 117.53 3b78 h LEU 335 Ca -0.04 -0.01 0.03 0.00 0.09 0.00 0.00 57.88 57.95 3b78 h LEU 335 Cb 1.08 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 41.60 3b78 h LEU 335 CO 0.07 0.57 -0.17 -0.08 0.09 0.00 0.00 178.44 178.91 3b78 h GLU 336 N 0.95 -0.26 -0.57 1.13 4.81 -1.50 -1.06 114.58 118.09 3b78 h GLU 336 Ca 0.30 0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.54 3b78 h GLU 336 Cb 0.01 0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.42 3b78 h GLU 336 CO -0.08 -0.17 0.33 0.52 -0.73 0.00 0.00 179.01 178.87 3b78 h MET 337 N -0.27 0.78 -0.19 1.92 2.86 -1.38 -1.10 114.93 117.55 3b78 h MET 337 Ca 0.07 -0.08 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 3b78 h MET 337 Cb 0.36 -0.16 -0.01 0.00 0.06 0.00 0.00 31.60 31.85 3b78 h MET 337 CO -0.19 0.58 0.12 0.82 1.06 0.00 0.00 176.91 179.30 3b78 h ILE 338 N 0.76 1.06 -0.20 -1.22 2.04 -1.07 -0.24 117.51 118.64 3b78 h ILE 338 Ca 0.20 -0.12 -0.19 0.00 1.00 0.00 0.00 64.86 65.75 3b78 h ILE 338 Cb 0.01 0.80 0.00 0.00 -0.74 0.00 0.00 36.82 36.89 3b78 h ILE 338 CO -0.04 0.06 -0.64 0.58 0.00 0.00 0.00 178.15 178.11 3b78 h VAL 339 N 0.25 1.30 0.03 1.67 2.07 -1.11 -2.68 116.25 117.78 3b78 h VAL 339 Ca 0.07 -1.87 -0.25 0.00 0.82 0.00 0.00 66.70 65.47 3b78 h VAL 339 Cb -0.01 1.82 -0.03 0.00 -1.52 0.00 0.00 31.29 31.55 3b78 h VAL 339 CO -0.01 0.59 -1.26 -0.07 0.02 0.00 0.00 177.57 176.83 3b78 h LEU 340 N 0.54 0.11 0.00 2.57 3.38 -1.12 -3.42 115.31 117.37 3b78 h LEU 340 Ca -0.01 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.82 3b78 h LEU 340 Cb 1.24 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.95 3b78 h LEU 340 CO 0.13 1.12 -0.98 1.41 0.09 0.00 0.00 178.44 180.20 3b78 n HIS 341 N -3.32 0.00 -2.46 1.13 8.25 -0.11 -4.63 115.22 114.08 3b78 n HIS 341 Ca -0.07 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 56.97 3b78 n HIS 341 Cb 0.99 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 32.07 3b78 n HIS 341 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3b78 s LEU 342 N -3.94 4.43 0.57 2.41 1.43 -1.01 -5.00 118.68 117.58 3b78 s LEU 342 Ca 0.00 2.08 -0.20 0.00 -1.03 0.00 0.00 54.13 54.98 3b78 s LEU 342 Cb 0.00 -3.59 -0.04 0.00 0.03 0.00 0.00 46.19 42.58 3b78 s LEU 342 CO 0.00 -0.34 1.25 -2.16 0.23 0.00 0.00 176.35 175.33 3b78 s PRO 343 N 0.20 3.08 0.55 1.29 0.04 -1.26 -4.82 135.00 134.08 3b78 s PRO 343 Ca 0.53 1.95 -0.04 0.00 0.04 0.00 0.00 61.00 63.48 3b78 s PRO 343 Cb -0.30 -2.07 0.00 0.00 0.04 0.00 0.00 34.50 32.18 3b78 s PRO 343 CO 0.33 -1.16 0.84 -1.54 0.04 0.00 0.00 177.00 175.52 3b78 s SER 344 N -1.37 5.68 0.41 6.66 1.04 -1.26 -4.52 113.70 120.33 3b78 s SER 344 Ca 0.75 0.63 0.12 0.00 0.48 0.00 0.00 55.95 57.93 3b78 s SER 344 Cb -0.34 -1.69 0.95 0.00 0.10 0.00 0.00 66.02 65.05 3b78 s SER 344 CO 0.38 -0.96 1.94 -0.65 0.98 0.00 0.00 173.24 174.93 3b78 h PRO 345 N -0.03 0.50 -0.61 4.02 0.11 -1.74 0.34 132.00 134.60 3b78 h PRO 345 Ca -0.46 -0.03 0.01 0.00 0.11 0.00 0.00 66.00 65.63 3b78 h PRO 345 Cb 1.25 -0.11 -0.03 0.00 0.11 0.00 0.00 31.00 32.22 3b78 h PRO 345 CO 0.60 0.33 0.40 0.28 -0.21 0.00 0.00 178.00 179.40 3b78 h VAL 346 N 0.51 1.14 0.00 3.15 2.07 -1.93 -1.92 116.25 119.28 3b78 h VAL 346 Ca 0.34 -0.28 -0.00 0.00 0.82 0.00 0.00 66.70 67.59 3b78 h VAL 346 Cb 0.63 0.26 0.00 0.00 -1.52 0.00 0.00 31.29 30.66 3b78 h VAL 346 CO -0.12 0.15 -0.00 0.74 0.02 0.00 0.00 177.57 178.36 3b78 h THR 347 N 0.81 1.66 -0.32 2.57 2.02 -1.61 -3.36 112.91 114.67 3b78 h THR 347 Ca 0.23 -1.95 -0.04 0.00 0.77 0.00 0.00 66.41 65.42 3b78 h THR 347 Cb -0.07 2.99 -0.01 0.00 -1.74 0.00 0.00 68.15 69.31 3b78 h THR 347 CO -0.06 0.51 0.04 0.00 0.37 0.00 0.00 175.52 176.38 3b78 h ALA 348 N 0.17 0.43 0.00 6.16 0.00 -1.01 -2.93 119.26 122.09 3b78 h ALA 348 Ca -0.00 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.71 3b78 h ALA 348 Cb 0.83 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.50 3b78 h ALA 348 CO 0.00 0.14 0.00 1.96 0.00 0.00 0.00 179.25 181.35 3b78 h GLN 349 N 0.37 0.00 -0.33 0.00 4.20 -1.52 -0.99 115.11 116.84 3b78 h GLN 349 Ca 0.10 0.00 -0.08 0.00 0.06 0.00 0.00 58.65 58.73 3b78 h GLN 349 Cb 0.36 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.13 3b78 h GLN 349 CO 0.01 0.00 -0.14 0.00 -0.67 0.00 0.00 178.83 178.03 3b78 h ALA 350 N 2.00 1.14 -0.06 3.87 0.00 -1.59 -2.12 119.26 122.51 3b78 h ALA 350 Ca 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.61 3b78 h ALA 350 Cb 0.04 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.68 3b78 h ALA 350 CO 0.00 0.54 0.00 2.48 0.00 0.00 0.00 179.25 182.27 3b78 n TYR 351 N -4.18 0.07 -0.04 0.00 0.18 -0.56 -4.53 117.16 108.11 3b78 n TYR 351 Ca 0.01 -0.09 0.02 0.00 1.88 0.00 0.00 57.90 59.72 3b78 n TYR 351 Cb 0.35 -0.01 -0.13 0.00 -0.38 0.00 0.00 39.34 39.17 3b78 n TYR 351 CO 0.00 0.00 0.00 0.54 -2.08 0.00 0.00 176.86 175.32 3b78 n ARG 352 N 0.54 0.84 -0.08 -3.48 1.74 -0.49 -4.71 116.66 111.03 3b78 n ARG 352 Ca 0.07 -0.10 -0.07 0.00 -0.77 0.00 0.00 57.85 56.98 3b78 n ARG 352 Cb 0.28 -1.42 -0.01 0.00 -1.02 0.00 0.00 32.46 30.29 3b78 n ARG 352 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3b78 h ALA 353 N 1.30 0.01 -0.98 7.54 0.00 -1.62 -2.29 119.26 123.22 3b78 h ALA 353 Ca -0.17 0.11 0.07 0.00 0.00 0.00 0.00 54.91 54.91 3b78 h ALA 353 Cb 1.28 0.44 -0.07 0.00 0.00 0.00 0.00 17.79 19.44 3b78 h ALA 353 CO 0.01 -0.59 0.64 0.93 0.00 0.00 0.00 179.25 180.23 3b78 h GLU 354 N -0.16 1.11 0.00 0.00 5.08 -1.86 -0.59 114.58 118.15 3b78 h GLU 354 Ca 0.16 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 3b78 h GLU 354 Cb 0.41 -0.25 0.00 0.00 0.50 0.00 0.00 28.75 29.41 3b78 h GLU 354 CO -0.40 0.73 -0.12 -0.56 -1.00 0.00 0.00 179.01 177.66 3b78 h GLN 355 N 1.14 0.00 -0.00 2.33 3.07 -1.79 -3.15 115.11 116.71 3b78 h GLN 355 Ca 0.43 0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.17 3b78 h GLN 355 Cb 0.19 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.75 3b78 h GLN 355 CO -0.17 0.00 -0.53 1.28 0.09 0.00 0.00 178.83 179.50 3b78 n LEU 356 N -2.95 0.62 -4.32 0.06 4.77 -0.58 -4.67 117.00 109.94 3b78 n LEU 356 Ca 0.04 -0.09 -0.34 0.00 -0.03 0.00 0.00 56.01 55.59 3b78 n LEU 356 Cb 0.52 -0.21 -0.14 0.00 -2.33 0.00 0.00 43.42 41.26 3b78 n LEU 356 CO 0.34 0.15 -0.43 -0.47 -1.33 0.00 0.00 177.39 175.65 3b78 s TYR 357 N -2.95 2.87 -1.87 -1.77 5.04 -0.34 -0.51 117.35 117.83 3b78 s TYR 357 Ca 0.12 -0.88 0.13 0.00 -2.44 0.00 0.00 57.07 54.00 3b78 s TYR 357 Cb 0.18 -1.96 0.40 0.00 0.35 0.00 0.00 41.96 40.92 3b78 s TYR 357 CO 0.70 -0.42 1.31 0.39 -1.34 0.00 0.00 175.55 176.20 3b78 n GLU 358 N 4.17 2.13 -2.05 4.97 1.02 -1.07 -4.86 120.64 124.95 3b78 n GLU 358 Ca -0.18 -1.60 -0.08 0.00 -0.02 0.00 0.00 57.16 55.28 3b78 n GLU 358 Cb 0.52 -1.39 0.01 0.00 -0.02 0.00 0.00 31.44 30.55 3b78 n GLU 358 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3b78 n GLY 359 N 1.12 2.68 3.65 0.62 0.00 -1.26 -4.92 105.19 107.08 3b78 n GLY 359 Ca 0.15 -2.20 -0.41 0.00 0.00 0.00 0.00 46.02 43.56 3b78 n GLY 359 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3b78 n PRO 360 N -1.03 1.60 -0.01 1.61 -0.02 -1.26 -4.88 135.00 131.02 3b78 n PRO 360 Ca 0.01 0.57 0.12 0.00 -2.02 0.00 0.00 63.50 62.18 3b78 n PRO 360 Cb 0.19 -2.18 0.69 0.00 -0.02 0.00 0.00 33.50 32.18 3b78 n PRO 360 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3b78 n ALA 361 N -0.32 2.63 -0.05 3.55 0.00 -1.26 -3.49 120.51 121.58 3b78 n ALA 361 Ca 0.08 -0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.32 3b78 n ALA 361 Cb 0.39 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 18.48 3b78 n ALA 361 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3b78 n ASP 362 N -0.72 0.68 -4.78 0.00 5.68 -1.26 -4.66 116.55 111.49 3b78 n ASP 362 Ca 0.18 -0.85 -0.30 0.00 -0.50 0.00 0.00 54.79 53.32 3b78 n ASP 362 Cb 0.12 0.25 0.09 0.00 -1.14 0.00 0.00 41.12 40.45 3b78 n ASP 362 CO 0.00 0.00 0.00 1.51 -1.33 0.00 0.00 177.20 177.38 3b78 s ASP 363 N -0.25 4.43 0.38 -1.12 3.84 -1.23 -4.82 116.67 117.89 3b78 s ASP 363 Ca 0.00 1.50 0.09 0.00 -0.00 0.00 0.00 52.55 54.15 3b78 s ASP 363 Cb 0.00 -2.25 0.85 0.00 -1.38 0.00 0.00 42.92 40.14 3b78 s ASP 363 CO 0.00 -2.04 1.92 0.00 -0.00 0.00 0.00 175.17 175.06 3b78 h ALA 364 N -1.13 1.85 -0.16 2.11 0.00 -1.97 -1.99 119.26 117.97 3b78 h ALA 364 Ca -0.46 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.38 3b78 h ALA 364 Cb 1.25 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.90 3b78 h ALA 364 CO 0.56 -0.02 -0.15 -0.91 0.00 0.00 0.00 179.25 178.73 3b78 h ASN 365 N 0.64 0.41 0.06 0.00 -0.26 -1.94 -1.05 115.58 113.44 3b78 h ASN 365 Ca 0.36 -0.48 -0.07 0.00 -0.56 0.00 0.00 56.30 55.55 3b78 h ASN 365 Cb 0.54 -0.12 -0.01 0.00 -1.06 0.00 0.00 38.32 37.67 3b78 h ASN 365 CO -0.14 0.80 -0.23 0.00 -1.06 0.00 0.00 177.43 176.81 3b78 h ILE 367 N 0.27 1.27 -0.15 0.00 2.04 -1.31 -1.91 117.51 117.72 3b78 h ILE 367 Ca 0.05 -1.35 -0.07 0.00 1.00 0.00 0.00 64.86 64.49 3b78 h ILE 367 Cb 0.55 1.21 -0.01 0.00 -0.74 0.00 0.00 36.82 37.83 3b78 h ILE 367 CO 0.04 0.45 -0.22 0.00 0.00 0.00 0.00 178.15 178.42 3b78 h ALA 368 N 1.05 1.35 -0.04 1.87 0.00 -0.61 -1.68 119.26 121.20 3b78 h ALA 368 Ca 0.09 -0.28 -0.23 0.00 0.00 0.00 0.00 54.91 54.49 3b78 h ALA 368 Cb 0.75 -0.09 0.02 0.00 0.00 0.00 0.00 17.79 18.46 3b78 h ALA 368 CO 0.06 0.44 -0.88 0.82 0.00 0.00 0.00 179.25 179.70 3b78 h ILE 369 N 0.24 1.31 -0.88 0.00 2.04 -1.15 0.16 117.51 119.23 3b78 h ILE 369 Ca 0.04 -2.13 0.02 0.00 1.00 0.00 0.00 64.86 63.79 3b78 h ILE 369 Cb 0.53 2.32 -0.05 0.00 -0.74 0.00 0.00 36.82 38.88 3b78 h ILE 369 CO 0.04 0.66 0.58 0.11 0.00 0.00 0.00 178.15 179.53 3b78 h LYS 370 N 0.32 1.13 -0.00 2.37 1.57 -1.18 -2.35 116.57 118.43 3b78 h LYS 370 Ca -0.10 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.61 3b78 h LYS 370 Cb 1.54 -0.25 0.00 0.00 0.08 0.00 0.00 32.23 33.59 3b78 h LYS 370 CO 0.17 0.75 -0.18 0.09 -0.57 0.00 0.00 179.45 179.71 3b78 n ASN 371 N -4.49 0.39 -3.85 0.86 3.02 -0.65 -3.68 115.26 106.87 3b78 n ASN 371 Ca 0.10 -0.26 -0.26 0.00 -0.03 0.00 0.00 54.58 54.13 3b78 n ASN 371 Cb 0.03 -0.09 0.02 0.00 -0.61 0.00 0.00 39.78 39.14 3b78 n ASN 371 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3b78 s ASP 373 N -3.86 6.77 0.05 0.00 2.15 0.39 -4.81 116.67 117.36 3b78 s ASP 373 Ca 0.32 0.79 0.26 0.00 0.43 0.00 0.00 52.55 54.35 3b78 s ASP 373 Cb -0.16 -2.55 1.04 0.00 -0.30 0.00 0.00 42.92 40.96 3b78 s ASP 373 CO 0.83 -1.07 1.81 -0.81 -0.17 0.00 0.00 175.17 175.77 3b78 n PRO 374 N 7.36 0.06 0.00 4.34 -0.04 -1.26 0.38 135.00 145.85 3b78 n PRO 374 Ca 0.12 0.10 0.12 0.00 -0.04 0.00 0.00 63.50 63.81 3b78 n PRO 374 Cb 0.48 -1.58 0.18 0.00 -0.04 0.00 0.00 33.50 32.54 3b78 n PRO 374 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 3b78 n LYS 375 N -1.69 1.95 -2.33 0.54 4.76 -1.26 -2.88 118.16 117.25 3b78 n LYS 375 Ca 0.06 -1.52 -0.26 0.00 -2.87 0.00 0.00 58.31 53.71 3b78 n LYS 375 Cb 0.32 -1.47 0.15 0.00 -1.84 0.00 0.00 35.03 32.20 3b78 n LYS 375 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3b78 s ALA 376 N -2.10 3.08 0.60 7.82 0.00 -1.20 -4.95 121.76 125.01 3b78 s ALA 376 Ca 0.28 -1.63 -0.19 0.00 0.00 0.00 0.00 51.96 50.43 3b78 s ALA 376 Cb 0.20 -2.28 -0.03 0.00 0.00 0.00 0.00 23.12 21.01 3b78 s ALA 376 CO 0.36 -1.99 1.26 -0.51 0.00 0.00 0.00 175.76 174.89 3b78 s ASP 377 N -4.86 5.04 0.30 0.00 1.01 -1.26 -3.92 116.67 112.98 3b78 s ASP 377 Ca 0.71 2.53 -0.29 0.00 0.71 0.00 0.00 52.55 56.21 3b78 s ASP 377 Cb -0.03 -2.61 -0.11 0.00 1.01 0.00 0.00 42.92 41.18 3b78 s ASP 377 CO 0.49 -1.70 1.48 -0.22 0.21 0.00 0.00 175.17 175.42 3b78 s LEU 378 N -4.03 4.37 -0.35 1.23 2.96 -1.26 -3.74 118.68 117.85 3b78 s LEU 378 Ca 0.78 2.82 -0.00 0.00 -0.22 0.00 0.00 54.13 57.51 3b78 s LEU 378 Cb -0.34 -3.64 0.13 0.00 0.50 0.00 0.00 46.19 42.84 3b78 s LEU 378 CO 0.38 -0.77 0.19 -0.04 -1.32 0.00 0.00 176.35 174.79 3b78 s MET 379 N -0.92 0.63 -0.16 1.98 -1.94 -0.08 -3.44 119.30 115.36 3b78 s MET 379 Ca 0.58 -1.29 0.00 0.00 -1.71 0.00 0.00 55.69 53.27 3b78 s MET 379 Cb -0.44 -1.51 -0.00 0.00 2.01 0.00 0.00 34.83 34.89 3b78 s MET 379 CO 0.50 -1.15 -0.15 -1.17 -0.01 0.00 0.00 175.02 173.03 3b78 s LEU 380 N 1.16 2.49 -0.35 -0.03 0.20 0.30 -0.29 118.68 122.16 3b78 s LEU 380 Ca 0.16 -0.46 -0.13 0.00 0.69 0.00 0.00 54.13 54.39 3b78 s LEU 380 Cb -0.22 -1.57 -0.01 0.00 -0.43 0.00 0.00 46.19 43.97 3b78 s LEU 380 CO -0.07 0.09 0.24 -0.47 -0.29 0.00 0.00 176.35 175.84 3b78 s TYR 381 N 0.81 3.23 -0.44 5.38 5.04 -0.27 -0.22 117.35 130.88 3b78 s TYR 381 Ca -0.05 -0.33 -0.22 0.00 -2.44 0.00 0.00 57.07 54.02 3b78 s TYR 381 Cb -0.15 -2.49 0.02 0.00 0.35 0.00 0.00 41.96 39.70 3b78 s TYR 381 CO -0.00 -0.42 0.72 0.08 -1.34 0.00 0.00 175.55 174.59 3b78 s VAL 382 N 1.70 4.73 0.06 3.14 1.01 -0.21 -1.01 120.40 129.83 3b78 s VAL 382 Ca 0.06 0.29 0.09 0.00 0.00 0.00 0.00 61.98 62.42 3b78 s VAL 382 Cb -0.18 -4.26 -0.20 0.00 0.00 0.00 0.00 36.38 31.74 3b78 s VAL 382 CO 0.10 -0.65 1.12 0.77 0.00 0.00 0.00 175.10 176.43 3b78 h SER 383 N 8.92 0.00 -5.46 3.32 4.64 -1.14 -2.59 113.55 121.24 3b78 h SER 383 Ca -0.25 0.00 0.23 0.00 -0.47 0.00 0.00 61.79 61.29 3b78 h SER 383 Cb 1.09 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 63.09 3b78 h SER 383 CO 0.93 0.96 0.59 -1.59 -0.87 0.00 0.00 176.83 176.85 3b78 s LYS 384 N -2.70 0.94 -0.13 4.77 -2.85 -1.05 -4.62 119.74 114.10 3b78 s LYS 384 Ca -0.00 -0.52 -0.03 0.00 -1.00 0.00 0.00 55.97 54.42 3b78 s LYS 384 Cb 0.09 0.32 -0.03 0.00 -2.06 0.00 0.00 37.83 36.15 3b78 s LYS 384 CO 0.82 -0.43 -0.03 -1.64 0.10 0.00 0.00 175.35 174.17 3b78 s MET 385 N -3.01 3.39 -0.20 1.78 -1.94 -1.21 -0.97 119.30 117.15 3b78 s MET 385 Ca 0.13 -0.49 -0.04 0.00 -1.71 0.00 0.00 55.69 53.57 3b78 s MET 385 Cb 0.01 -2.85 -0.02 0.00 2.01 0.00 0.00 34.83 33.98 3b78 s MET 385 CO 0.00 0.41 -0.02 0.08 -0.01 0.00 0.00 175.02 175.48 3b78 s VAL 386 N -0.09 3.79 0.33 -6.03 1.01 -0.34 -4.92 120.40 114.14 3b78 s VAL 386 Ca 0.02 -0.37 -0.29 0.00 0.00 0.00 0.00 61.98 61.34 3b78 s VAL 386 Cb -0.13 -2.70 -0.11 0.00 0.00 0.00 0.00 36.38 33.44 3b78 s VAL 386 CO 0.02 0.44 1.52 -2.84 0.00 0.00 0.00 175.10 174.24 3b78 s PRO 387 N 1.01 4.14 0.29 2.72 0.02 -1.26 -1.62 135.00 140.30 3b78 s PRO 387 Ca 0.01 2.53 0.04 0.00 0.02 0.00 0.00 61.00 63.61 3b78 s PRO 387 Cb -0.14 -3.01 -0.06 0.00 0.02 0.00 0.00 34.50 31.31 3b78 s PRO 387 CO 0.01 -0.54 0.03 0.95 -0.33 0.00 0.00 177.00 177.11 3b78 s THR 388 N -0.59 1.19 -2.00 0.99 -4.23 -1.01 -2.70 115.64 107.27 3b78 s THR 388 Ca 0.57 -2.03 0.31 0.00 -1.18 0.00 0.00 61.69 59.36 3b78 s THR 388 Cb -0.46 -2.61 0.76 0.00 1.34 0.00 0.00 72.50 71.52 3b78 s THR 388 CO 0.55 -0.13 2.08 -1.54 -0.54 0.00 0.00 174.62 175.04 3b78 n SER 389 N -0.59 0.34 -3.81 3.99 3.41 -0.67 -4.10 113.62 112.19 3b78 n SER 389 Ca -0.03 -0.97 -0.42 0.00 -0.26 0.00 0.00 58.87 57.18 3b78 n SER 389 Cb 0.65 -0.03 0.00 0.00 -0.26 0.00 0.00 64.21 64.57 3b78 n SER 389 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 3b78 n ASP 390 N -0.80 4.20 -3.58 4.04 2.03 -1.26 -4.55 116.55 116.63 3b78 n ASP 390 Ca 0.21 -2.90 -0.19 0.00 0.52 0.00 0.00 54.79 52.42 3b78 n ASP 390 Cb 0.19 -1.62 0.06 0.00 -0.72 0.00 0.00 41.12 39.02 3b78 n ASP 390 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 3b78 n LYS 391 N 5.74 -5.54 -1.94 -0.67 5.02 -1.26 -1.99 118.16 117.52 3b78 n LYS 391 Ca 0.49 0.72 -0.20 0.00 -2.02 0.00 0.00 58.31 57.30 3b78 n LYS 391 Cb 0.39 -5.47 -0.05 0.00 -0.02 0.00 0.00 35.03 29.88 3b78 n LYS 391 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3b78 n GLY 392 N -1.38 0.84 3.84 0.72 0.00 -1.26 -4.96 105.19 102.99 3b78 n GLY 392 Ca -0.29 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.36 3b78 n GLY 392 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3b78 s ARG 393 N -4.27 4.00 -0.11 1.61 1.81 -0.84 -4.91 118.95 116.24 3b78 s ARG 393 Ca 0.00 0.51 -0.04 0.00 -1.72 0.00 0.00 55.73 54.48 3b78 s ARG 393 Cb 0.00 -3.06 -0.04 0.00 -0.45 0.00 0.00 34.95 31.41 3b78 s ARG 393 CO 0.00 0.56 0.06 -0.06 -0.68 0.00 0.00 175.30 175.18 3b78 s PHE 394 N -1.31 3.33 -0.15 -0.53 0.08 -1.26 -2.42 117.98 115.72 3b78 s PHE 394 Ca 0.33 0.30 -0.08 0.00 0.12 0.00 0.00 56.93 57.60 3b78 s PHE 394 Cb -0.16 -1.87 -0.04 0.00 -0.57 0.00 0.00 43.02 40.37 3b78 s PHE 394 CO 0.18 0.54 0.12 0.71 -0.10 0.00 0.00 175.22 176.67 3b78 s TYR 395 N -0.82 3.46 -0.06 0.36 2.02 -0.64 -4.35 117.35 117.33 3b78 s TYR 395 Ca 0.13 0.39 -0.30 0.00 -0.37 0.00 0.00 57.07 56.92 3b78 s TYR 395 Cb -0.12 -2.02 -0.04 0.00 -0.40 0.00 0.00 41.96 39.38 3b78 s TYR 395 CO 0.03 0.50 1.31 0.00 -1.57 0.00 0.00 175.55 175.82 3b78 s ALA 396 N -0.37 3.57 -0.18 3.71 0.00 0.68 -1.20 121.76 127.97 3b78 s ALA 396 Ca 0.11 0.69 -0.05 0.00 0.00 0.00 0.00 51.96 52.71 3b78 s ALA 396 Cb -0.12 -3.58 -0.03 0.00 0.00 0.00 0.00 23.12 19.39 3b78 s ALA 396 CO 0.01 -0.96 0.01 0.12 0.00 0.00 0.00 175.76 174.95 3b78 s PHE 397 N 2.71 3.11 0.00 0.00 5.36 -0.15 0.11 117.98 129.13 3b78 s PHE 397 Ca 0.59 -0.19 0.00 0.00 -0.96 0.00 0.00 56.93 56.37 3b78 s PHE 397 Cb -0.27 -2.03 0.00 0.00 -0.34 0.00 0.00 43.02 40.38 3b78 s PHE 397 CO 0.22 -0.01 0.00 0.41 -1.46 0.00 0.00 175.22 174.38 3b78 n GLY 398 N 3.70 2.25 2.83 13.12 0.00 -0.94 -0.64 105.19 125.51 3b78 n GLY 398 Ca -0.17 -0.62 -0.14 0.00 0.00 0.00 0.00 46.02 45.09 3b78 n GLY 398 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3b78 s ARG 399 N 1.24 -0.01 -0.42 1.61 3.52 -0.18 -1.98 118.95 122.73 3b78 s ARG 399 Ca 0.00 0.11 -0.26 0.00 -0.13 0.00 0.00 55.73 55.45 3b78 s ARG 399 Cb 0.00 -0.12 0.02 0.00 -1.56 0.00 0.00 34.95 33.29 3b78 s ARG 399 CO 0.00 -0.09 0.96 0.08 -0.81 0.00 0.00 175.30 175.45 3b78 s VAL 400 N 0.56 4.48 -0.09 7.11 1.01 -0.70 -1.11 120.40 131.66 3b78 s VAL 400 Ca -0.05 1.04 0.08 0.00 0.00 0.00 0.00 61.98 63.05 3b78 s VAL 400 Cb -0.07 -4.42 -0.24 0.00 0.00 0.00 0.00 36.38 31.66 3b78 s VAL 400 CO -0.02 -0.73 0.47 0.49 0.00 0.00 0.00 175.10 175.32 3b78 n PHE 401 N 7.10 0.90 -3.87 5.22 3.72 0.60 0.12 117.46 131.24 3b78 n PHE 401 Ca 0.08 0.28 -0.11 0.00 -0.05 0.00 0.00 57.45 57.64 3b78 n PHE 401 Cb 0.48 -1.15 -0.11 0.00 -0.94 0.00 0.00 39.48 37.77 3b78 n PHE 401 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3b78 s ALA 402 N -2.57 -0.29 0.00 4.37 0.00 -0.93 -4.50 121.76 117.84 3b78 s ALA 402 Ca -0.11 -0.05 0.00 0.00 0.00 0.00 0.00 51.96 51.80 3b78 s ALA 402 Cb 0.07 0.03 0.00 0.00 0.00 0.00 0.00 23.12 23.23 3b78 s ALA 402 CO 0.80 -0.17 0.00 0.41 0.00 0.00 0.00 175.76 176.80 3b78 n GLY 403 N 1.83 -1.14 3.12 0.00 0.00 0.16 -0.91 105.19 108.26 3b78 n GLY 403 Ca -0.20 -1.19 -0.19 0.00 0.00 0.00 0.00 46.02 44.43 3b78 n GLY 403 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3b78 s THR 404 N 0.00 1.00 -0.12 2.61 -4.23 -1.14 -1.18 115.64 112.58 3b78 s THR 404 Ca 0.00 -0.95 -0.03 0.00 -1.18 0.00 0.00 61.69 59.53 3b78 s THR 404 Cb 0.00 -0.92 -0.03 0.00 1.34 0.00 0.00 72.50 72.89 3b78 s THR 404 CO 0.00 -0.02 -0.01 0.54 -0.54 0.00 0.00 174.62 174.59 3b78 s VAL 405 N -0.85 4.21 0.04 2.29 0.11 -0.76 -4.85 120.40 120.59 3b78 s VAL 405 Ca 0.00 -0.27 0.07 0.00 -2.93 0.00 0.00 61.98 58.85 3b78 s VAL 405 Cb -0.08 -2.81 -0.02 0.00 -1.53 0.00 0.00 36.38 31.94 3b78 s VAL 405 CO 0.01 0.55 -0.19 -0.54 -3.33 0.00 0.00 175.10 171.60 3b78 s LYS 406 N -0.33 1.28 0.18 1.54 1.02 -1.26 -0.83 119.74 121.34 3b78 s LYS 406 Ca 0.06 -0.89 -0.32 0.00 0.02 0.00 0.00 55.97 54.84 3b78 s LYS 406 Cb -0.12 -1.37 -0.11 0.00 -0.52 0.00 0.00 37.83 35.71 3b78 s LYS 406 CO 0.02 0.35 1.64 -1.12 -0.92 0.00 0.00 175.35 175.32 3b78 s SER 407 N -1.16 6.51 0.00 2.83 0.01 -0.09 -1.72 113.70 120.07 3b78 s SER 407 Ca 0.06 2.71 0.00 0.00 1.31 0.00 0.00 55.95 60.03 3b78 s SER 407 Cb -0.09 -2.59 0.00 0.00 0.21 0.00 0.00 66.02 63.55 3b78 s SER 407 CO 0.02 -0.89 0.00 0.61 0.41 0.00 0.00 173.24 173.39 3b78 n GLY 408 N 3.86 3.25 3.65 3.44 0.00 0.22 -4.98 105.19 114.63 3b78 n GLY 408 Ca 0.15 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.77 3b78 n GLY 408 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3b78 n GLN 409 N -1.65 1.33 -3.73 1.61 7.27 -0.70 -4.49 117.38 117.02 3b78 n GLN 409 Ca 0.00 0.49 -0.35 0.00 0.07 0.00 0.00 57.00 57.21 3b78 n GLN 409 Cb 0.00 -2.23 -0.08 0.00 2.41 0.00 0.00 30.24 30.34 3b78 n GLN 409 CO 0.00 0.00 0.00 0.21 0.07 0.00 0.00 177.06 177.34 3b78 s LYS 410 N -2.47 4.16 0.27 3.69 2.20 -1.26 0.02 119.74 126.35 3b78 s LYS 410 Ca 0.69 -0.20 0.04 0.00 -0.36 0.00 0.00 55.97 56.14 3b78 s LYS 410 Cb -0.47 -3.41 -0.06 0.00 -1.51 0.00 0.00 37.83 32.38 3b78 s LYS 410 CO 0.52 0.32 0.02 0.14 -0.36 0.00 0.00 175.35 175.99 3b78 s VAL 411 N 0.30 1.12 -0.35 4.02 -7.23 0.15 -4.97 120.40 113.44 3b78 s VAL 411 Ca 0.09 -2.03 -0.15 0.00 -1.81 0.00 0.00 61.98 58.07 3b78 s VAL 411 Cb -0.11 -2.53 -0.01 0.00 0.56 0.00 0.00 36.38 34.29 3b78 s VAL 411 CO -0.01 -0.19 0.37 -0.13 -0.31 0.00 0.00 175.10 174.82 3b78 s ARG 412 N -3.87 3.54 -0.55 4.82 0.52 0.11 -1.91 118.95 121.61 3b78 s ARG 412 Ca 0.32 -0.44 -0.19 0.00 -0.52 0.00 0.00 55.73 54.90 3b78 s ARG 412 Cb 0.07 -3.81 0.08 0.00 0.52 0.00 0.00 34.95 31.81 3b78 s ARG 412 CO 0.12 -0.54 0.66 0.42 0.02 0.00 0.00 175.30 175.98 3b78 s ILE 413 N 2.02 4.85 -0.43 1.52 1.01 0.23 -1.50 121.20 128.91 3b78 s ILE 413 Ca 0.12 -0.78 -0.14 0.00 0.00 0.00 0.00 60.65 59.85 3b78 s ILE 413 Cb -0.17 -4.40 0.05 0.00 0.01 0.00 0.00 42.46 37.95 3b78 s ILE 413 CO 0.12 -0.98 0.31 -1.10 0.00 0.00 0.00 174.94 173.29 3b78 s GLN 414 N 2.64 2.91 1.24 2.79 -0.21 0.13 -1.74 119.66 127.42 3b78 s GLN 414 Ca 0.13 -1.19 -0.20 0.00 0.02 0.00 0.00 55.36 54.11 3b78 s GLN 414 Cb -0.22 -3.97 0.30 0.00 1.00 0.00 0.00 33.01 30.12 3b78 s GLN 414 CO 0.09 -0.86 1.10 0.20 -2.12 0.00 0.00 175.29 173.70 3b78 s GLY 415 N 2.02 1.58 0.63 3.09 0.00 -0.52 -1.84 107.32 112.28 3b78 s GLY 415 Ca 0.04 -1.01 0.36 0.00 0.00 0.00 0.00 44.72 44.11 3b78 s GLY 415 CO 0.07 -0.09 2.25 -0.56 0.00 0.00 0.00 173.10 174.78 3b78 h PRO 416 N -2.71 0.00 -0.03 2.90 0.13 -1.89 -1.71 132.00 128.70 3b78 h PRO 416 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 3b78 h PRO 416 Cb 1.29 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.42 3b78 h PRO 416 CO 0.31 0.00 -0.11 0.09 -0.23 0.00 0.00 178.00 178.06 3b78 n ASN 417 N -3.44 2.73 -4.76 1.44 3.02 -1.26 -5.00 115.26 107.99 3b78 n ASN 417 Ca -0.02 -1.86 -0.38 0.00 -0.03 0.00 0.00 54.58 52.29 3b78 n ASN 417 Cb 0.14 0.11 0.02 0.00 -0.61 0.00 0.00 39.78 39.44 3b78 n ASN 417 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 3b78 s TYR 418 N -2.05 2.50 -0.06 3.10 5.04 -0.64 -4.87 117.35 120.36 3b78 s TYR 418 Ca 0.25 1.43 -0.03 0.00 -2.44 0.00 0.00 57.07 56.29 3b78 s TYR 418 Cb 0.19 -3.64 0.04 0.00 0.35 0.00 0.00 41.96 38.89 3b78 s TYR 418 CO 0.35 -2.38 0.13 0.08 -1.34 0.00 0.00 175.55 172.39 3b78 s VAL 419 N -1.40 -0.05 0.58 3.14 1.01 -1.26 -4.81 120.40 117.61 3b78 s VAL 419 Ca 0.69 0.17 0.34 0.00 0.00 0.00 0.00 61.98 63.18 3b78 s VAL 419 Cb -0.36 -0.22 0.49 0.00 0.00 0.00 0.00 36.38 36.29 3b78 s VAL 419 CO 0.43 0.07 1.67 -0.65 0.00 0.00 0.00 175.10 176.61 3b78 h PRO 420 N 7.14 0.00 0.00 2.72 0.11 -1.92 -1.17 132.00 138.88 3b78 h PRO 420 Ca -0.42 0.00 -0.14 0.00 0.11 0.00 0.00 66.00 65.55 3b78 h PRO 420 Cb 1.14 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.27 3b78 h PRO 420 CO 0.43 0.00 -0.56 0.78 -0.21 0.00 0.00 178.00 178.44 3b78 h GLY 421 N 0.00 0.41 0.00 -0.55 0.00 -1.96 -3.47 103.07 97.50 3b78 h GLY 421 Ca 0.51 -0.73 0.00 0.00 0.00 0.00 0.00 47.33 47.10 3b78 h GLY 421 CO -0.01 0.65 0.00 0.28 0.00 0.00 0.00 176.54 177.46 3b78 n LYS 422 N -4.26 1.19 -0.00 4.80 5.02 -0.44 -5.04 118.16 119.43 3b78 n LYS 422 Ca -0.10 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.19 3b78 n LYS 422 Cb 0.65 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.66 3b78 n LYS 422 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3b78 n LYS 423 N -0.68 1.93 -2.18 1.97 5.02 -1.26 -4.79 118.16 118.17 3b78 n LYS 423 Ca 0.00 -1.15 -0.41 0.00 -2.02 0.00 0.00 58.31 54.73 3b78 n LYS 423 Cb 0.00 -0.82 -0.03 0.00 -0.02 0.00 0.00 35.03 34.16 3b78 n LYS 423 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3b78 s ASP 424 N -0.65 6.85 -1.30 4.39 -1.08 -1.26 -3.07 116.67 120.55 3b78 s ASP 424 Ca 0.00 2.43 -0.08 0.00 -0.52 0.00 0.00 52.55 54.38 3b78 s ASP 424 Cb 0.00 -2.61 0.01 0.00 -1.46 0.00 0.00 42.92 38.86 3b78 s ASP 424 CO 0.00 -0.57 1.07 -0.67 0.52 0.00 0.00 175.17 175.51 3b78 n ASP 425 N 2.83 -6.12 -4.13 -0.34 -0.08 -1.26 -4.11 116.55 103.33 3b78 n ASP 425 Ca 0.07 -0.48 -0.29 0.00 -1.51 0.00 0.00 54.79 52.58 3b78 n ASP 425 Cb 0.42 -4.76 -0.17 0.00 2.34 0.00 0.00 41.12 38.95 3b78 n ASP 425 CO 0.00 0.00 0.00 -0.22 0.12 0.00 0.00 177.20 177.10 3b78 s LEU 426 N -6.88 1.89 -0.08 -2.67 2.96 -1.17 -1.44 118.68 111.29 3b78 s LEU 426 Ca 0.53 -0.44 0.00 0.00 -0.22 0.00 0.00 54.13 54.00 3b78 s LEU 426 Cb -0.23 -1.15 0.02 0.00 0.50 0.00 0.00 46.19 45.33 3b78 s LEU 426 CO 0.65 0.10 -0.05 -0.36 -1.32 0.00 0.00 176.35 175.38 3b78 s PHE 427 N 0.48 1.03 -0.82 5.38 0.08 -0.71 -4.98 117.98 118.45 3b78 s PHE 427 Ca -0.17 -0.40 -0.14 0.00 0.12 0.00 0.00 56.93 56.34 3b78 s PHE 427 Cb -0.17 -0.93 0.21 0.00 -0.57 0.00 0.00 43.02 41.56 3b78 s PHE 427 CO 0.07 -0.34 0.78 0.42 -0.10 0.00 0.00 175.22 176.04 3b78 s ILE 428 N 1.43 5.53 0.49 0.64 1.01 -1.26 0.78 121.20 129.82 3b78 s ILE 428 Ca -0.02 -2.35 0.00 0.00 0.00 0.00 0.00 60.65 58.29 3b78 s ILE 428 Cb -0.13 -4.48 -0.00 0.00 0.01 0.00 0.00 42.46 37.85 3b78 s ILE 428 CO -0.03 -1.05 0.01 0.29 0.00 0.00 0.00 174.94 174.15 3b78 n LYS 429 N 4.23 0.77 -4.66 2.79 4.76 -0.80 -4.89 118.16 120.37 3b78 n LYS 429 Ca 0.13 -3.63 -0.34 0.00 -2.87 0.00 0.00 58.31 51.61 3b78 n LYS 429 Cb 0.47 1.05 -0.12 0.00 -1.84 0.00 0.00 35.03 34.59 3b78 n LYS 429 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3b78 s ALA 430 N -2.88 2.93 -0.53 7.82 0.00 -1.26 0.32 121.76 128.16 3b78 s ALA 430 Ca 0.02 -0.90 -0.28 0.00 0.00 0.00 0.00 51.96 50.80 3b78 s ALA 430 Cb 0.00 -1.20 0.01 0.00 0.00 0.00 0.00 23.12 21.92 3b78 s ALA 430 CO 0.01 0.55 1.48 0.42 0.00 0.00 0.00 175.76 178.22 3b78 s ILE 431 N -0.73 3.74 0.42 0.00 -1.09 0.10 -4.82 121.20 118.82 3b78 s ILE 431 Ca 0.11 0.65 0.20 0.00 -2.23 0.00 0.00 60.65 59.38 3b78 s ILE 431 Cb -0.11 -4.31 0.22 0.00 -1.58 0.00 0.00 42.46 36.69 3b78 s ILE 431 CO 0.01 -1.04 2.01 -0.61 -1.23 0.00 0.00 174.94 174.08 3b78 h GLN 432 N 11.50 0.00 -1.58 2.79 4.15 -1.54 0.63 115.11 131.06 3b78 h GLN 432 Ca -0.27 0.00 0.07 0.00 0.77 0.00 0.00 58.65 59.21 3b78 h GLN 432 Cb 1.11 0.00 -0.27 0.00 0.21 0.00 0.00 27.48 28.53 3b78 h GLN 432 CO 1.16 0.18 0.47 0.50 -1.93 0.00 0.00 178.83 179.20 3b78 s ARG 433 N -4.37 0.48 -0.22 1.69 6.06 -1.15 -4.41 118.95 117.04 3b78 s ARG 433 Ca -0.03 0.58 -0.05 0.00 -2.50 0.00 0.00 55.73 53.73 3b78 s ARG 433 Cb 0.14 0.23 -0.02 0.00 0.06 0.00 0.00 34.95 35.36 3b78 s ARG 433 CO 0.65 -0.06 -0.00 0.08 -2.50 0.00 0.00 175.30 173.47 3b78 s VAL 434 N 0.27 3.80 0.16 7.11 1.01 -1.26 -0.96 120.40 130.54 3b78 s VAL 434 Ca 0.03 -0.35 0.07 0.00 0.00 0.00 0.00 61.98 61.72 3b78 s VAL 434 Cb -0.05 -2.74 -0.04 0.00 0.00 0.00 0.00 36.38 33.55 3b78 s VAL 434 CO -0.07 0.41 -0.15 0.68 0.00 0.00 0.00 175.10 175.97 3b78 s VAL 435 N 1.30 1.56 -0.28 2.92 -7.23 -0.38 0.08 120.40 118.37 3b78 s VAL 435 Ca 0.04 -1.93 -0.19 0.00 -1.81 0.00 0.00 61.98 58.09 3b78 s VAL 435 Cb -0.15 -1.77 -0.02 0.00 0.56 0.00 0.00 36.38 35.00 3b78 s VAL 435 CO 0.00 -0.46 0.57 -0.76 -0.31 0.00 0.00 175.10 174.15 3b78 s LEU 436 N -2.79 4.10 -1.41 1.32 1.43 0.59 -1.50 118.68 120.42 3b78 s LEU 436 Ca 0.15 0.50 -0.15 0.00 -1.03 0.00 0.00 54.13 53.60 3b78 s LEU 436 Cb -0.03 -2.75 0.03 0.00 0.03 0.00 0.00 46.19 43.47 3b78 s LEU 436 CO 0.05 -0.38 2.21 0.23 0.23 0.00 0.00 176.35 178.69 3b78 n MET 437 N 5.70 2.76 -2.28 1.70 2.81 -1.26 -2.21 117.12 124.33 3b78 n MET 437 Ca -0.02 -2.55 -0.43 0.00 -1.81 0.00 0.00 57.70 52.89 3b78 n MET 437 Cb 0.49 -3.26 0.00 0.00 -0.71 0.00 0.00 33.22 29.74 3b78 n MET 437 CO 0.00 0.00 0.00 -1.33 1.51 0.00 0.00 175.97 176.15 3b78 n MET 438 N 6.15 3.11 0.00 0.03 2.81 -0.71 -4.47 117.12 124.05 3b78 n MET 438 Ca 0.52 -3.09 0.00 0.00 -1.81 0.00 0.00 57.70 53.32 3b78 n MET 438 Cb 0.39 -3.34 0.00 0.00 -0.71 0.00 0.00 33.22 29.56 3b78 n MET 438 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3b78 n GLY 439 N 4.62 1.61 0.36 3.03 0.00 -0.15 -2.82 105.19 111.85 3b78 n GLY 439 Ca 0.48 0.09 0.04 0.00 0.00 0.00 0.00 46.02 46.63 3b78 n GLY 439 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3b78 n ARG 440 N 0.00 0.99 -4.49 1.61 0.63 -1.26 -3.78 116.66 110.35 3b78 n ARG 440 Ca 0.00 -1.26 -0.24 0.00 -0.92 0.00 0.00 57.85 55.43 3b78 n ARG 440 Cb 0.00 -1.17 -0.10 0.00 0.45 0.00 0.00 32.46 31.64 3b78 n ARG 440 CO 0.00 0.00 0.00 -0.06 -2.51 0.00 0.00 177.63 175.06 3b78 s PHE 441 N -0.77 2.22 0.19 -0.14 0.08 -1.13 -0.84 117.98 117.59 3b78 s PHE 441 Ca 0.12 -0.56 0.11 0.00 0.12 0.00 0.00 56.93 56.71 3b78 s PHE 441 Cb 0.07 -1.25 -0.04 0.00 -0.57 0.00 0.00 43.02 41.23 3b78 s PHE 441 CO 0.10 0.48 -0.23 0.14 -0.10 0.00 0.00 175.22 175.62 3b78 s VAL 442 N -2.76 2.44 -0.21 -0.44 -7.23 -1.25 -1.74 120.40 109.22 3b78 s VAL 442 Ca 0.31 -1.99 -0.04 0.00 -1.81 0.00 0.00 61.98 58.45 3b78 s VAL 442 Cb 0.02 -2.17 0.09 0.00 0.56 0.00 0.00 36.38 34.88 3b78 s VAL 442 CO 0.15 -0.11 0.18 -0.70 -0.31 0.00 0.00 175.10 174.30 3b78 s GLU 443 N -2.67 0.16 0.20 4.82 2.56 -0.94 -4.87 118.70 117.96 3b78 s GLU 443 Ca 0.21 0.04 -0.32 0.00 0.00 0.00 0.00 54.97 54.89 3b78 s GLU 443 Cb -0.08 -1.36 -0.12 0.00 2.00 0.00 0.00 34.13 34.56 3b78 s GLU 443 CO 0.10 -0.71 1.71 -2.30 -0.56 0.00 0.00 175.26 173.50 3b78 n PRO 444 N 5.30 2.70 -4.23 4.30 -0.02 -1.26 -0.30 135.00 141.50 3b78 n PRO 444 Ca -0.06 0.97 -0.13 0.00 -2.02 0.00 0.00 63.50 62.27 3b78 n PRO 444 Cb 0.49 -2.81 -0.10 0.00 -0.02 0.00 0.00 33.50 31.05 3b78 n PRO 444 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 3b78 s ILE 445 N 1.20 0.99 -0.01 4.25 -4.36 0.11 -4.92 121.20 118.46 3b78 s ILE 445 Ca 0.76 -2.02 -0.22 0.00 -0.26 0.00 0.00 60.65 58.91 3b78 s ILE 445 Cb -0.53 -1.82 -0.13 0.00 1.25 0.00 0.00 42.46 41.23 3b78 s ILE 445 CO 0.33 -0.76 0.94 0.44 0.24 0.00 0.00 174.94 176.13 3b78 h ASP 446 N 2.83 -0.53 -5.70 4.36 3.32 -1.96 -3.37 116.42 115.37 3b78 h ASP 446 Ca -0.36 -0.06 -0.34 0.00 0.02 0.00 0.00 57.03 56.29 3b78 h ASP 446 Cb 1.18 0.14 -0.13 0.00 0.22 0.00 0.00 39.33 40.74 3b78 h ASP 446 CO 0.64 -0.12 -0.46 1.51 -1.72 0.00 0.00 179.24 179.09 3b78 s ASP 447 N -4.85 0.96 -0.23 6.45 -4.77 -1.26 -0.92 116.67 112.05 3b78 s ASP 447 Ca -0.12 -1.55 -0.04 0.00 -3.30 0.00 0.00 52.55 47.54 3b78 s ASP 447 Cb 0.01 0.52 0.12 0.00 -1.09 0.00 0.00 42.92 42.48 3b78 s ASP 447 CO 0.39 -1.03 0.39 0.00 0.70 0.00 0.00 175.17 175.62 3b78 s PRO 449 N 2.57 2.24 0.58 0.00 0.04 -1.26 -1.83 135.00 137.35 3b78 s PRO 449 Ca 0.08 0.76 -0.20 0.00 0.04 0.00 0.00 61.00 61.67 3b78 s PRO 449 Cb -0.14 -1.93 -0.04 0.00 0.04 0.00 0.00 34.50 32.43 3b78 s PRO 449 CO -0.15 -1.54 1.29 0.00 0.04 0.00 0.00 177.00 176.65 3b78 n ALA 450 N -3.39 1.29 0.00 8.56 0.00 -0.33 -3.33 120.51 123.31 3b78 n ALA 450 Ca 0.07 0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.60 3b78 n ALA 450 Cb 0.55 -2.32 0.00 0.00 0.00 0.00 0.00 19.45 17.69 3b78 n ALA 450 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3b78 n GLY 451 N 0.87 2.14 3.95 0.00 0.00 0.33 -4.89 105.19 107.57 3b78 n GLY 451 Ca 0.12 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.90 3b78 n GLY 451 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3b78 s ASN 452 N -1.49 6.33 -0.16 1.61 0.01 -1.21 -4.79 114.94 115.25 3b78 s ASN 452 Ca 0.00 0.27 -0.12 0.00 -0.71 0.00 0.00 52.86 52.29 3b78 s ASN 452 Cb 0.00 -1.95 -0.05 0.00 0.41 0.00 0.00 41.25 39.66 3b78 s ASN 452 CO 0.00 -0.11 0.25 -0.63 -1.51 0.00 0.00 177.10 175.10 3b78 s ILE 453 N -2.02 5.33 0.15 0.60 1.09 -1.26 -1.72 121.20 123.36 3b78 s ILE 453 Ca 0.37 0.46 -0.06 0.00 -1.10 0.00 0.00 60.65 60.31 3b78 s ILE 453 Cb -0.10 -3.58 -0.02 0.00 -1.06 0.00 0.00 42.46 37.70 3b78 s ILE 453 CO 0.31 0.43 0.20 -0.51 -0.10 0.00 0.00 174.94 175.27 3b78 s ILE 454 N 0.22 0.08 0.05 2.92 1.10 -0.84 -4.83 121.20 119.90 3b78 s ILE 454 Ca 0.15 -1.56 0.09 0.00 -0.51 0.00 0.00 60.65 58.81 3b78 s ILE 454 Cb -0.13 -1.89 -0.03 0.00 0.15 0.00 0.00 42.46 40.56 3b78 s ILE 454 CO 0.03 -0.37 -0.24 -0.83 -2.11 0.00 0.00 174.94 171.42 3b78 s GLY 455 N -2.99 1.47 -0.02 1.50 0.00 -0.56 -2.22 107.32 104.49 3b78 s GLY 455 Ca 0.19 -1.26 0.07 0.00 0.00 0.00 0.00 44.72 43.72 3b78 s GLY 455 CO 0.00 -1.15 -0.22 1.08 0.00 0.00 0.00 173.10 172.80 3b78 s LEU 456 N -1.36 2.04 -0.12 0.66 1.43 0.12 -1.25 118.68 120.20 3b78 s LEU 456 Ca 0.13 -0.41 -0.00 0.00 -1.03 0.00 0.00 54.13 52.82 3b78 s LEU 456 Cb -0.10 -1.17 -0.02 0.00 0.03 0.00 0.00 46.19 44.94 3b78 s LEU 456 CO 0.03 0.27 -0.12 -0.69 0.23 0.00 0.00 176.35 176.07 3b78 s VAL 457 N -0.49 3.17 0.00 -1.59 1.01 -0.13 -0.23 120.40 122.14 3b78 s VAL 457 Ca 0.07 -0.63 0.00 0.00 0.00 0.00 0.00 61.98 61.43 3b78 s VAL 457 Cb -0.09 -2.33 0.00 0.00 0.00 0.00 0.00 36.38 33.96 3b78 s VAL 457 CO -0.00 0.53 0.00 0.61 0.00 0.00 0.00 175.10 176.24 3b78 n GLY 458 N 3.34 1.87 0.03 4.51 0.00 -1.26 -1.54 105.19 112.14 3b78 n GLY 458 Ca -0.18 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.77 3b78 n GLY 458 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3b78 n ILE 459 N -1.22 0.24 0.26 -0.61 -5.35 -1.26 -4.66 119.36 106.75 3b78 n ILE 459 Ca 0.00 -0.24 0.12 0.00 -0.27 0.00 0.00 62.75 62.36 3b78 n ILE 459 Cb 0.04 0.85 0.69 0.00 -1.74 0.00 0.00 39.64 39.49 3b78 n ILE 459 CO 0.00 0.00 0.00 -2.24 -1.76 0.00 0.00 176.55 172.55 3b78 h ASP 460 N 0.00 0.00 -0.29 7.28 3.04 -1.83 -1.86 116.42 122.76 3b78 h ASP 460 Ca 0.00 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.79 3b78 h ASP 460 Cb 0.91 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.20 3b78 h ASP 460 CO 0.00 0.13 0.00 0.00 -2.04 0.00 0.00 179.24 177.33 3b78 n GLN 461 N -3.66 1.67 0.00 4.15 0.00 -1.26 -3.93 117.38 114.34 3b78 n GLN 461 Ca -0.02 -1.03 0.00 0.00 0.00 0.00 0.00 57.00 55.95 3b78 n GLN 461 Cb 0.25 -1.23 0.00 0.00 0.00 0.00 0.00 30.24 29.26 3b78 n GLN 461 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.06 178.25 3b78 n PHE 462 N 0.34 0.00 -4.45 2.61 3.72 -0.78 -5.02 117.46 113.86 3b78 n PHE 462 Ca 0.10 0.00 -0.34 0.00 -0.05 0.00 0.00 57.45 57.16 3b78 n PHE 462 Cb 0.24 0.00 -0.11 0.00 -0.94 0.00 0.00 39.48 38.67 3b78 n PHE 462 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 3b78 s LEU 463 N -3.35 3.29 -0.15 4.37 1.43 -0.77 -4.94 118.68 118.56 3b78 s LEU 463 Ca 0.00 -0.05 -0.26 0.00 -1.03 0.00 0.00 54.13 52.79 3b78 s LEU 463 Cb 0.00 -1.77 -0.23 0.00 0.03 0.00 0.00 46.19 44.22 3b78 s LEU 463 CO 0.00 0.26 0.62 0.25 0.23 0.00 0.00 176.35 177.71 3b78 h LEU 464 N 6.06 0.00 0.00 1.79 5.85 -1.90 -3.43 115.31 123.68 3b78 h LEU 464 Ca -0.39 -0.85 0.00 0.00 0.84 0.00 0.00 57.88 57.48 3b78 h LEU 464 Cb 1.19 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.22 3b78 h LEU 464 CO 0.59 1.08 0.00 0.29 -0.34 0.00 0.00 178.44 180.06 3b78 n LYS 465 N -4.58 0.00 -4.11 1.25 5.02 -1.26 -4.76 118.16 109.72 3b78 n LYS 465 Ca -0.14 0.00 -0.11 0.00 -2.02 0.00 0.00 58.31 56.04 3b78 n LYS 465 Cb 0.50 0.00 -0.11 0.00 -0.02 0.00 0.00 35.03 35.41 3b78 n LYS 465 CO 0.00 0.00 0.00 -0.08 -0.52 0.00 0.00 177.40 176.80 3b78 s THR 466 N -2.00 0.52 -1.36 -0.18 -1.32 -1.26 -3.26 115.64 106.78 3b78 s THR 466 Ca 0.00 -1.56 0.00 0.00 -1.21 0.00 0.00 61.69 58.92 3b78 s THR 466 Cb 0.00 -1.19 0.00 0.00 -1.51 0.00 0.00 72.50 69.80 3b78 s THR 466 CO 0.00 -0.70 0.00 0.61 -2.21 0.00 0.00 174.62 172.32 3b78 n GLY 467 N 0.60 -1.48 3.44 6.08 0.00 -0.97 -4.43 105.19 108.42 3b78 n GLY 467 Ca -0.17 -1.03 -0.32 0.00 0.00 0.00 0.00 46.02 44.50 3b78 n GLY 467 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3b78 s THR 468 N -2.36 2.75 -0.18 2.61 2.01 -0.76 -1.04 115.64 118.66 3b78 s THR 468 Ca 0.00 -1.00 -0.00 0.00 0.31 0.00 0.00 61.69 60.99 3b78 s THR 468 Cb 0.00 -2.09 0.01 0.00 0.01 0.00 0.00 72.50 70.42 3b78 s THR 468 CO 0.00 0.47 -0.15 -0.76 -0.69 0.00 0.00 174.62 173.50 3b78 s LEU 469 N -1.03 2.43 0.34 4.42 1.02 0.69 -0.69 118.68 125.86 3b78 s LEU 469 Ca 0.13 -0.53 0.03 0.00 0.02 0.00 0.00 54.13 53.78 3b78 s LEU 469 Cb -0.10 -1.57 -0.04 0.00 0.02 0.00 0.00 46.19 44.50 3b78 s LEU 469 CO 0.02 0.02 0.14 0.42 0.02 0.00 0.00 176.35 176.97 3b78 s THR 470 N 1.18 0.53 0.00 5.49 -4.23 -0.56 -0.54 115.64 117.50 3b78 s THR 470 Ca 0.02 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.53 3b78 s THR 470 Cb -0.14 -2.50 0.00 0.00 1.34 0.00 0.00 72.50 71.20 3b78 s THR 470 CO -0.06 0.00 0.12 0.35 -0.54 0.00 0.00 174.62 174.49 3b78 n THR 471 N -0.70 0.00 -3.33 3.99 -2.24 -1.22 0.10 114.28 110.88 3b78 n THR 471 Ca -0.01 -0.29 -0.38 0.00 -2.27 0.00 0.00 64.05 61.09 3b78 n THR 471 Cb 0.65 1.17 -0.06 0.00 -2.10 0.00 0.00 70.33 69.99 3b78 n THR 471 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3b78 s SER 472 N -0.35 6.95 0.14 3.42 0.15 -1.26 -4.93 113.70 117.83 3b78 s SER 472 Ca 0.00 1.13 0.25 0.00 0.70 0.00 0.00 55.95 58.03 3b78 s SER 472 Cb 0.00 -2.32 0.93 0.00 -1.71 0.00 0.00 66.02 62.92 3b78 s SER 472 CO 0.00 0.25 1.76 1.21 1.20 0.00 0.00 173.24 177.66 3b78 n GLU 473 N 2.03 0.15 -0.19 5.44 2.13 -1.26 -3.08 120.64 125.85 3b78 n GLU 473 Ca -0.11 0.21 0.08 0.00 0.66 0.00 0.00 57.16 58.01 3b78 n GLU 473 Cb 0.51 -1.70 0.17 0.00 0.27 0.00 0.00 31.44 30.69 3b78 n GLU 473 CO 0.00 0.00 0.00 0.25 -0.41 0.00 0.00 177.13 176.97 3b78 n THR 474 N -1.97 1.88 -2.93 6.31 -2.24 -1.26 -4.94 114.28 109.13 3b78 n THR 474 Ca 0.05 -1.94 -0.41 0.00 -2.27 0.00 0.00 64.05 59.47 3b78 n THR 474 Cb 0.33 -0.13 -0.04 0.00 -2.10 0.00 0.00 70.33 68.39 3b78 n THR 474 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3b78 s ALA 475 N -2.57 3.51 0.83 6.98 0.00 -1.18 -5.00 121.76 124.33 3b78 s ALA 475 Ca 0.32 -0.00 -0.12 0.00 0.00 0.00 0.00 51.96 52.16 3b78 s ALA 475 Cb 0.26 -3.17 0.09 0.00 0.00 0.00 0.00 23.12 20.30 3b78 s ALA 475 CO 0.05 -0.60 1.11 -1.01 0.00 0.00 0.00 175.76 175.31 3b78 s HIS 476 N 2.02 2.74 0.78 0.00 3.76 -1.26 -4.68 115.29 118.64 3b78 s HIS 476 Ca 0.37 1.08 -0.11 0.00 -0.15 0.00 0.00 55.06 56.25 3b78 s HIS 476 Cb -0.17 -3.19 0.06 0.00 1.11 0.00 0.00 32.58 30.39 3b78 s HIS 476 CO 0.13 -1.94 1.09 -0.80 -0.85 0.00 0.00 174.74 172.37 3b78 s ASN 477 N -3.92 4.50 0.23 1.40 -0.87 -1.26 -4.90 114.94 110.11 3b78 s ASN 477 Ca 0.62 1.78 -0.02 0.00 -1.57 0.00 0.00 52.86 53.66 3b78 s ASN 477 Cb -0.15 -2.49 -0.05 0.00 -0.02 0.00 0.00 41.25 38.55 3b78 s ASN 477 CO 0.54 -2.03 0.44 -0.04 -2.57 0.00 0.00 177.10 173.44 3b78 s MET 478 N -4.92 3.56 -0.64 -0.60 -1.94 -1.26 -2.59 119.30 110.91 3b78 s MET 478 Ca 0.61 -0.23 -0.27 0.00 -1.71 0.00 0.00 55.69 54.09 3b78 s MET 478 Cb -0.17 -2.78 -0.16 0.00 2.01 0.00 0.00 34.83 33.73 3b78 s MET 478 CO 0.56 0.34 1.92 1.17 -0.01 0.00 0.00 175.02 179.01 3b78 n LYS 479 N -0.73 0.00 -2.85 2.03 0.00 0.34 -4.83 118.16 112.11 3b78 n LYS 479 Ca -0.04 0.00 -0.32 0.00 0.00 0.00 0.00 58.31 57.95 3b78 n LYS 479 Cb 0.54 -1.15 -0.05 0.00 0.00 0.00 0.00 35.03 34.36 3b78 n LYS 479 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.40 177.54 3b78 s VAL 480 N 6.12 4.57 -0.33 3.15 -7.23 -1.26 -5.05 120.40 120.37 3b78 s VAL 480 Ca 1.00 1.13 -0.08 0.00 -1.81 0.00 0.00 61.98 62.22 3b78 s VAL 480 Cb -1.03 -3.65 0.02 0.00 0.56 0.00 0.00 36.38 32.29 3b78 s VAL 480 CO 0.42 -0.38 0.12 -0.04 -0.31 0.00 0.00 175.10 174.91 3b78 s MET 481 N -3.40 2.90 0.74 4.82 1.00 -1.26 -5.09 119.30 119.02 3b78 s MET 481 Ca 0.57 -1.00 -0.16 0.00 0.00 0.00 0.00 55.69 55.10 3b78 s MET 481 Cb -0.10 -3.50 -0.02 0.00 0.00 0.00 0.00 34.83 31.21 3b78 s MET 481 CO 0.21 -0.57 0.60 1.63 0.00 0.00 0.00 175.02 176.89 3b78 n LYS 482 N 4.89 0.28 -3.64 2.03 5.02 -1.26 -4.95 118.16 120.54 3b78 n LYS 482 Ca -0.13 0.14 -0.08 0.00 -2.02 0.00 0.00 58.31 56.21 3b78 n LYS 482 Cb 0.47 -1.90 -0.07 0.00 -0.02 0.00 0.00 35.03 33.50 3b78 n LYS 482 CO 0.00 0.00 0.00 -0.59 -0.52 0.00 0.00 177.40 176.29 3b78 s PHE 483 N -1.94 -0.63 0.17 2.13 -0.12 -1.26 -5.05 117.98 111.28 3b78 s PHE 483 Ca 0.66 1.43 -0.07 0.00 -0.05 0.00 0.00 56.93 58.90 3b78 s PHE 483 Cb -0.34 0.38 -0.06 0.00 -0.63 0.00 0.00 43.02 42.37 3b78 s PHE 483 CO 0.57 -0.31 0.44 -1.54 -0.05 0.00 0.00 175.22 174.33 3b78 s SER 484 N 0.66 6.54 0.00 1.98 1.04 -1.26 -4.97 113.70 117.69 3b78 s SER 484 Ca -0.02 0.71 0.02 0.00 0.48 0.00 0.00 55.95 57.14 3b78 s SER 484 Cb -0.05 -2.14 0.00 0.00 0.10 0.00 0.00 66.02 63.93 3b78 s SER 484 CO -0.08 0.01 0.36 0.52 0.98 0.00 0.00 173.24 175.02 3b78 n VAL 485 N 0.02 0.00 -2.34 5.02 0.31 -1.26 -4.95 118.33 115.13 3b78 n VAL 485 Ca -0.01 -0.49 -0.43 0.00 -0.01 0.00 0.00 64.34 63.40 3b78 n VAL 485 Cb 0.52 1.02 -0.02 0.00 -0.91 0.00 0.00 33.84 34.45 3b78 n VAL 485 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 3b78 s SER 486 N -0.55 6.89 -1.06 4.52 0.15 -1.26 -4.95 113.70 117.44 3b78 s SER 486 Ca 0.01 1.82 -0.22 0.00 0.70 0.00 0.00 55.95 58.26 3b78 s SER 486 Cb 0.01 -2.54 0.03 0.00 -1.71 0.00 0.00 66.02 61.81 3b78 s SER 486 CO 0.04 -0.78 1.64 -2.84 1.20 0.00 0.00 173.24 172.49 3b78 s PRO 487 N 3.50 3.39 0.07 5.44 0.02 -1.26 -4.52 135.00 141.64 3b78 s PRO 487 Ca 0.59 -1.14 0.23 0.00 0.02 0.00 0.00 61.00 60.70 3b78 s PRO 487 Cb -0.24 -5.33 0.11 0.00 0.02 0.00 0.00 34.50 29.05 3b78 s PRO 487 CO 0.18 -2.57 1.08 1.33 -0.33 0.00 0.00 177.00 176.70 3b78 n VAL 488 N 7.05 0.22 -4.24 3.83 0.24 -1.01 -4.74 118.33 119.68 3b78 n VAL 488 Ca 0.38 -0.26 -0.20 0.00 -2.04 0.00 0.00 64.34 62.22 3b78 n VAL 488 Cb 0.49 0.12 -0.12 0.00 -1.47 0.00 0.00 33.84 32.85 3b78 n VAL 488 CO 0.00 0.00 0.00 0.68 -2.14 0.00 0.00 176.83 175.37 3b78 s VAL 489 N -3.20 1.25 0.01 3.34 -7.23 -1.22 -0.69 120.40 112.66 3b78 s VAL 489 Ca 0.04 -1.29 -0.23 0.00 -1.81 0.00 0.00 61.98 58.69 3b78 s VAL 489 Cb 0.14 -1.17 0.05 0.00 0.56 0.00 0.00 36.38 35.96 3b78 s VAL 489 CO 0.78 -0.14 0.51 0.00 -0.31 0.00 0.00 175.10 175.95 3b78 s GLN 490 N -1.65 0.97 -0.03 4.82 -2.07 0.03 -0.05 119.66 121.69 3b78 s GLN 490 Ca 0.01 -0.13 0.02 0.00 -1.82 0.00 0.00 55.36 53.44 3b78 s GLN 490 Cb -0.10 0.44 0.01 0.00 -1.09 0.00 0.00 33.01 32.27 3b78 s GLN 490 CO 0.02 -0.33 -0.07 0.14 -1.32 0.00 0.00 175.29 173.74 3b78 s VAL 491 N -1.97 0.63 -0.09 3.63 -7.23 -1.06 -0.37 120.40 113.94 3b78 s VAL 491 Ca -0.08 -0.26 -0.30 0.00 -1.81 0.00 0.00 61.98 59.53 3b78 s VAL 491 Cb -0.01 -0.58 -0.03 0.00 0.56 0.00 0.00 36.38 36.31 3b78 s VAL 491 CO 0.02 0.21 1.29 0.00 -0.31 0.00 0.00 175.10 176.31 3b78 s ALA 492 N 0.32 3.59 -0.67 1.32 0.00 -1.26 -2.67 121.76 122.38 3b78 s ALA 492 Ca -0.04 0.63 -0.00 0.00 0.00 0.00 0.00 51.96 52.54 3b78 s ALA 492 Cb -0.09 -3.59 0.17 0.00 0.00 0.00 0.00 23.12 19.61 3b78 s ALA 492 CO 0.00 -1.00 0.48 0.08 0.00 0.00 0.00 175.76 175.33 3b78 s VAL 493 N 2.88 3.50 0.50 0.00 1.01 -1.14 -1.91 120.40 125.25 3b78 s VAL 493 Ca 0.58 -3.41 -0.01 0.00 0.00 0.00 0.00 61.98 59.14 3b78 s VAL 493 Cb -0.25 -3.28 0.01 0.00 0.00 0.00 0.00 36.38 32.85 3b78 s VAL 493 CO 0.20 -0.92 0.73 -0.70 0.00 0.00 0.00 175.10 174.41 3b78 s GLU 494 N -0.58 2.92 0.45 2.72 2.12 -0.98 -4.72 118.70 120.63 3b78 s GLU 494 Ca 0.20 -0.47 -0.12 0.00 0.36 0.00 0.00 54.97 54.93 3b78 s GLU 494 Cb -0.17 -2.50 -0.07 0.00 0.26 0.00 0.00 34.13 31.66 3b78 s GLU 494 CO -0.06 -0.44 0.84 0.14 -0.54 0.00 0.00 175.26 175.20 3b78 s VAL 495 N -2.67 4.71 0.00 3.70 -7.23 -1.26 -0.78 120.40 116.86 3b78 s VAL 495 Ca 0.51 0.80 0.00 0.00 -1.81 0.00 0.00 61.98 61.48 3b78 s VAL 495 Cb -0.10 -3.73 0.00 0.00 0.56 0.00 0.00 36.38 33.10 3b78 s VAL 495 CO 0.39 -0.59 0.00 1.17 -0.31 0.00 0.00 175.10 175.76 3b78 n LYS 496 N -1.44 2.02 -3.99 4.82 3.00 -1.26 -4.66 118.16 116.65 3b78 n LYS 496 Ca 0.04 0.00 -0.32 0.00 -0.00 0.00 0.00 58.31 58.03 3b78 n LYS 496 Cb 0.54 -0.97 -0.15 0.00 0.00 0.00 0.00 35.03 34.45 3b78 n LYS 496 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.40 176.60 3b78 s ASN 497 N -3.38 4.78 0.01 3.14 0.01 -1.26 -4.95 114.94 113.29 3b78 s ASN 497 Ca 0.00 -1.97 0.03 0.00 -0.71 0.00 0.00 52.86 50.21 3b78 s ASN 497 Cb 0.00 -1.64 0.12 0.00 0.41 0.00 0.00 41.25 40.14 3b78 s ASN 497 CO 0.00 -0.36 1.08 0.00 -1.51 0.00 0.00 177.10 176.31 3b78 n ALA 498 N 4.34 1.09 -0.06 0.60 0.00 -1.26 -1.61 120.51 123.60 3b78 n ALA 498 Ca -0.01 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.31 3b78 n ALA 498 Cb 0.42 -1.04 0.01 0.00 0.00 0.00 0.00 19.45 18.84 3b78 n ALA 498 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 3b78 h ASN 499 N 0.00 0.85 -0.37 0.00 2.35 -2.04 -3.15 115.58 113.22 3b78 h ASN 499 Ca 0.00 -0.42 0.00 0.00 -0.55 0.00 0.00 56.30 55.33 3b78 h ASN 499 Cb 0.03 -0.24 0.00 0.00 0.05 0.00 0.00 38.32 38.16 3b78 h ASN 499 CO 0.00 1.18 0.00 0.47 -1.65 0.00 0.00 177.43 177.43 3b78 n ASP 500 N -4.01 3.93 -0.06 5.81 9.92 -0.64 -4.65 116.55 126.86 3b78 n ASP 500 Ca -0.03 -2.64 -0.11 0.00 -0.53 0.00 0.00 54.79 51.48 3b78 n ASP 500 Cb 0.58 -0.48 -0.04 0.00 -0.64 0.00 0.00 41.12 40.54 3b78 n ASP 500 CO 0.00 0.00 0.00 0.25 0.13 0.00 0.00 177.20 177.58 3b78 h LEU 501 N 2.42 0.29 -2.08 0.64 6.46 -1.41 -2.82 115.31 118.82 3b78 h LEU 501 Ca 0.00 -0.16 0.04 0.00 -0.12 0.00 0.00 57.88 57.64 3b78 h LEU 501 Cb 1.30 -0.08 -0.01 0.00 -0.73 0.00 0.00 40.66 41.15 3b78 h LEU 501 CO 0.19 0.38 0.33 -0.65 -0.62 0.00 0.00 178.44 178.07 3b78 h PRO 502 N 0.19 0.00 0.00 5.25 0.11 -1.82 0.28 132.00 136.01 3b78 h PRO 502 Ca 0.07 0.00 -0.18 0.00 0.11 0.00 0.00 66.00 66.00 3b78 h PRO 502 Cb 0.18 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.26 3b78 h PRO 502 CO -0.01 0.00 -0.83 0.87 -0.21 0.00 0.00 178.00 177.82 3b78 h LYS 503 N 0.00 0.04 0.17 1.05 1.79 -1.76 -3.28 116.57 114.58 3b78 h LYS 503 Ca 0.07 -0.04 -0.01 0.00 -2.18 0.00 0.00 60.65 58.49 3b78 h LYS 503 Cb 0.74 0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.40 3b78 h LYS 503 CO -0.00 0.84 -0.08 1.25 -1.08 0.00 0.00 179.45 180.38 3b78 h LEU 504 N 0.02 -0.19 -0.77 2.94 5.85 -0.26 -1.54 115.31 121.36 3b78 h LEU 504 Ca -0.02 -0.20 0.18 0.00 0.84 0.00 0.00 57.88 58.68 3b78 h LEU 504 Cb 1.46 0.05 -0.12 0.00 0.37 0.00 0.00 40.66 42.42 3b78 h LEU 504 CO 0.11 0.35 0.14 0.58 -0.34 0.00 0.00 178.44 179.28 3b78 h VAL 505 N -1.00 0.43 -0.08 1.05 2.07 -1.63 0.52 116.25 117.61 3b78 h VAL 505 Ca -0.02 -0.07 -0.22 0.00 0.82 0.00 0.00 66.70 67.20 3b78 h VAL 505 Cb 0.38 0.20 0.01 0.00 -1.52 0.00 0.00 31.29 30.36 3b78 h VAL 505 CO 0.04 0.04 -0.85 -0.08 0.02 0.00 0.00 177.57 176.74 3b78 h GLU 506 N 0.21 0.62 -0.02 1.57 4.57 -1.69 -3.26 114.58 116.57 3b78 h GLU 506 Ca 0.44 -0.56 -0.06 0.00 -1.18 0.00 0.00 59.36 58.00 3b78 h GLU 506 Cb 0.79 0.13 -0.01 0.00 -0.16 0.00 0.00 28.75 29.50 3b78 h GLU 506 CO -0.58 1.18 -0.29 0.78 -1.18 0.00 0.00 179.01 178.92 3b78 h GLY 507 N 0.82 0.03 0.99 1.92 0.00 0.31 -2.42 103.07 104.72 3b78 h GLY 507 Ca -0.07 -0.02 -0.02 0.00 0.00 0.00 0.00 47.33 47.22 3b78 h GLY 507 CO 0.16 0.02 0.32 1.41 0.00 0.00 0.00 176.54 178.45 3b78 h LEU 508 N 0.03 0.77 -0.02 3.11 3.38 -0.14 0.32 115.31 122.75 3b78 h LEU 508 Ca 0.00 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.87 3b78 h LEU 508 Cb 0.52 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.08 3b78 h LEU 508 CO 0.04 0.66 0.00 0.29 0.09 0.00 0.00 178.44 179.52 3b78 n LYS 509 N -4.55 0.03 0.14 1.13 5.02 -1.07 -2.71 118.16 116.15 3b78 n LYS 509 Ca 0.04 0.09 -0.25 0.00 -2.02 0.00 0.00 58.31 56.17 3b78 n LYS 509 Cb 0.10 -1.54 -0.16 0.00 -0.02 0.00 0.00 35.03 33.41 3b78 n LYS 509 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3b78 h ARG 510 N 0.00 0.52 -0.91 1.97 3.08 -0.74 -3.24 114.38 115.05 3b78 h ARG 510 Ca 0.00 -0.89 0.00 0.00 0.07 0.00 0.00 59.98 59.16 3b78 h ARG 510 Cb 0.47 0.33 -0.04 0.00 0.08 0.00 0.00 29.97 30.80 3b78 h ARG 510 CO 0.00 1.43 0.58 1.25 -1.07 0.00 0.00 179.97 182.15 3b78 h LEU 511 N 0.14 1.07 -1.97 3.04 5.85 -0.78 -0.69 115.31 121.98 3b78 h LEU 511 Ca -0.27 -0.05 -0.02 0.00 0.84 0.00 0.00 57.88 58.38 3b78 h LEU 511 Cb 2.17 -0.27 -0.00 0.00 0.37 0.00 0.00 40.66 42.92 3b78 h LEU 511 CO 0.26 0.80 -0.10 0.28 -0.34 0.00 0.00 178.44 179.34 3b78 h SER 512 N 1.25 0.00 0.78 1.25 0.02 -1.62 -2.18 113.55 113.05 3b78 h SER 512 Ca 0.33 0.00 -0.24 0.00 -0.84 0.00 0.00 61.79 61.05 3b78 h SER 512 Cb -0.10 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.43 3b78 h SER 512 CO -0.07 0.10 -1.08 0.11 -1.14 0.00 0.00 176.83 174.75 3b78 h LYS 513 N 0.00 0.15 0.00 3.45 1.57 -1.18 -3.29 116.57 117.27 3b78 h LYS 513 Ca -0.00 -0.23 0.00 0.00 -1.87 0.00 0.00 60.65 58.54 3b78 h LYS 513 Cb 0.23 0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.63 3b78 h LYS 513 CO 0.01 1.09 -0.19 -1.13 -0.57 0.00 0.00 179.45 178.66 3b78 n SER 514 N -3.48 0.54 -3.58 0.86 3.41 -0.80 -4.74 113.62 105.83 3b78 n SER 514 Ca -0.04 0.37 -0.11 0.00 -0.26 0.00 0.00 58.87 58.82 3b78 n SER 514 Cb 0.95 -0.40 -0.11 0.00 -0.26 0.00 0.00 64.21 64.40 3b78 n SER 514 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3b78 s ASP 515 N -3.88 0.22 0.58 4.04 -1.08 -0.92 -4.92 116.67 110.70 3b78 s ASP 515 Ca 0.11 0.58 0.37 0.00 -0.52 0.00 0.00 52.55 53.10 3b78 s ASP 515 Cb 0.15 0.97 1.78 0.00 -1.46 0.00 0.00 42.92 44.36 3b78 s ASP 515 CO 0.62 -0.26 2.12 -0.65 0.52 0.00 0.00 175.17 177.52 3b78 h PRO 516 N 8.23 0.00 0.00 4.34 0.11 -1.85 -3.07 132.00 139.76 3b78 h PRO 516 Ca -0.16 0.00 -0.28 0.00 0.11 0.00 0.00 66.00 65.67 3b78 h PRO 516 Cb 1.12 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.18 3b78 h PRO 516 CO 0.17 0.00 -1.85 0.00 -0.21 0.00 0.00 178.00 176.11 3b78 s VAL 518 N -2.66 3.14 -0.23 0.00 0.11 -1.16 -4.74 120.40 114.86 3b78 s VAL 518 Ca -0.06 1.15 -0.02 0.00 -2.93 0.00 0.00 61.98 60.13 3b78 s VAL 518 Cb 0.08 -3.73 0.07 0.00 -1.53 0.00 0.00 36.38 31.26 3b78 s VAL 518 CO 0.83 0.28 0.04 -0.22 -3.33 0.00 0.00 175.10 172.69 3b78 s LEU 519 N -1.60 1.68 -0.21 2.54 2.96 -0.89 -4.71 118.68 118.44 3b78 s LEU 519 Ca 0.46 -1.10 -0.11 0.00 -0.22 0.00 0.00 54.13 53.16 3b78 s LEU 519 Cb -0.35 -0.76 -0.05 0.00 0.50 0.00 0.00 46.19 45.53 3b78 s LEU 519 CO 0.46 -0.33 0.16 0.42 -1.32 0.00 0.00 176.35 175.74 3b78 s THR 520 N 1.72 5.38 0.28 3.68 -4.23 -1.26 -0.74 115.64 120.47 3b78 s THR 520 Ca 0.01 0.22 0.02 0.00 -1.18 0.00 0.00 61.69 60.76 3b78 s THR 520 Cb -0.17 -3.50 -0.01 0.00 1.34 0.00 0.00 72.50 70.16 3b78 s THR 520 CO -0.13 0.40 0.33 0.00 -0.54 0.00 0.00 174.62 174.68 3b78 n TYR 521 N 3.83 -1.00 -4.10 3.99 0.18 -0.98 -5.00 117.16 114.08 3b78 n TYR 521 Ca -0.15 -2.08 -0.33 0.00 1.88 0.00 0.00 57.90 57.22 3b78 n TYR 521 Cb 0.52 0.36 -0.16 0.00 -0.38 0.00 0.00 39.34 39.68 3b78 n TYR 521 CO 0.00 0.00 0.00 -1.64 -2.08 0.00 0.00 176.86 173.14 3b78 s MET 522 N -2.85 2.80 0.71 -3.48 -1.94 -1.26 -2.30 119.30 110.97 3b78 s MET 522 Ca 0.28 -0.97 -0.11 0.00 -1.71 0.00 0.00 55.69 53.18 3b78 s MET 522 Cb 0.00 -2.67 0.02 0.00 2.01 0.00 0.00 34.83 34.19 3b78 s MET 522 CO 0.20 -0.31 1.07 -1.54 -0.01 0.00 0.00 175.02 174.42 3b78 s SER 523 N 1.24 5.21 0.00 3.03 1.04 -0.01 -4.91 113.70 119.31 3b78 s SER 523 Ca 0.01 1.66 0.10 0.00 0.48 0.00 0.00 55.95 58.21 3b78 s SER 523 Cb -0.15 -2.50 0.48 0.00 0.10 0.00 0.00 66.02 63.95 3b78 s SER 523 CO -0.11 -1.56 1.29 1.21 0.98 0.00 0.00 173.24 175.06 3b78 n GLU 524 N -3.18 0.06 -0.24 4.02 4.07 -1.26 -1.13 120.64 122.98 3b78 n GLU 524 Ca 0.08 0.27 0.07 0.00 -0.06 0.00 0.00 57.16 57.51 3b78 n GLU 524 Cb 0.53 -1.50 0.20 0.00 -0.06 0.00 0.00 31.44 30.61 3b78 n GLU 524 CO 0.00 0.00 0.00 -1.13 -0.06 0.00 0.00 177.13 175.94 3b78 n SER 525 N -1.41 2.44 0.00 4.31 3.41 -1.26 -4.90 113.62 116.22 3b78 n SER 525 Ca 0.04 -2.03 0.00 0.00 -0.26 0.00 0.00 58.87 56.62 3b78 n SER 525 Cb 0.11 -0.31 0.00 0.00 -0.26 0.00 0.00 64.21 63.74 3b78 n SER 525 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3b78 n GLY 526 N 1.16 0.62 3.86 5.00 0.00 -0.28 -5.02 105.19 110.53 3b78 n GLY 526 Ca 0.15 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.85 3b78 n GLY 526 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3b78 s GLU 527 N -0.08 3.91 -0.31 1.61 2.02 -1.24 -4.87 118.70 119.73 3b78 s GLU 527 Ca 0.00 0.58 -0.05 0.00 0.02 0.00 0.00 54.97 55.52 3b78 s GLU 527 Cb 0.00 -2.42 0.04 0.00 0.10 0.00 0.00 34.13 31.85 3b78 s GLU 527 CO 0.00 0.08 0.06 -1.01 0.02 0.00 0.00 175.26 174.41 3b78 s HIS 528 N -2.14 3.22 0.21 1.61 3.76 -1.26 -0.83 115.29 119.85 3b78 s HIS 528 Ca 0.53 -1.48 0.06 0.00 -0.15 0.00 0.00 55.06 54.03 3b78 s HIS 528 Cb -0.10 -2.20 -0.04 0.00 1.11 0.00 0.00 32.58 31.35 3b78 s HIS 528 CO 0.23 -0.72 0.13 0.42 -0.85 0.00 0.00 174.74 173.95 3b78 s ILE 529 N 1.37 4.29 -0.21 0.60 -1.09 -0.97 -2.87 121.20 122.32 3b78 s ILE 529 Ca -0.02 -1.32 0.01 0.00 -2.23 0.00 0.00 60.65 57.10 3b78 s ILE 529 Cb -0.19 -3.25 0.04 0.00 -1.58 0.00 0.00 42.46 37.49 3b78 s ILE 529 CO 0.01 -0.23 -0.13 0.54 -1.23 0.00 0.00 174.94 173.90 3b78 s VAL 530 N -1.94 1.90 0.03 2.92 0.11 -1.09 -2.33 120.40 119.99 3b78 s VAL 530 Ca 0.31 -1.14 -0.07 0.00 -2.93 0.00 0.00 61.98 58.16 3b78 s VAL 530 Cb -0.09 -1.90 -0.05 0.00 -1.53 0.00 0.00 36.38 32.82 3b78 s VAL 530 CO 0.23 0.24 0.29 0.00 -3.33 0.00 0.00 175.10 172.53 3b78 s ALA 531 N 1.29 3.84 0.40 1.54 0.00 0.08 -2.55 121.76 126.35 3b78 s ALA 531 Ca -0.01 -0.56 0.04 0.00 0.00 0.00 0.00 51.96 51.42 3b78 s ALA 531 Cb -0.16 -2.09 -0.03 0.00 0.00 0.00 0.00 23.12 20.85 3b78 s ALA 531 CO -0.09 0.65 0.13 0.20 0.00 0.00 0.00 175.76 176.65 3b78 s GLY 532 N -1.79 2.55 0.08 0.00 0.00 0.93 -2.10 107.32 106.99 3b78 s GLY 532 Ca 0.29 -1.32 -0.03 0.00 0.00 0.00 0.00 44.72 43.66 3b78 s GLY 532 CO 0.17 -1.81 1.17 -0.84 0.00 0.00 0.00 173.10 171.79 3b78 h THR 533 N 1.83 1.52 -2.27 0.90 2.02 -1.85 -2.68 112.91 112.38 3b78 h THR 533 Ca -0.35 -3.06 0.06 0.00 0.77 0.00 0.00 66.41 63.82 3b78 h THR 533 Cb 1.27 2.90 -0.01 0.00 -1.74 0.00 0.00 68.15 70.57 3b78 h THR 533 CO 0.57 0.89 0.28 0.61 0.37 0.00 0.00 175.52 178.24 3b78 n GLY 534 N 1.47 1.07 0.31 2.16 0.00 -1.26 -4.52 105.19 104.42 3b78 n GLY 534 Ca -0.07 -1.08 -0.13 0.00 0.00 0.00 0.00 46.02 44.73 3b78 n GLY 534 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3b78 h GLU 535 N 0.00 -0.48 -0.19 1.61 4.81 -1.94 -0.65 114.58 117.74 3b78 h GLU 535 Ca -0.17 0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.09 3b78 h GLU 535 Cb 0.69 0.11 -0.01 0.00 0.63 0.00 0.00 28.75 30.17 3b78 h GLU 535 CO 0.22 -0.32 0.08 1.25 -0.73 0.00 0.00 179.01 179.51 3b78 h LEU 536 N -0.50 0.26 -0.71 1.64 5.85 -1.97 -2.03 115.31 117.85 3b78 h LEU 536 Ca 0.03 -0.15 0.04 0.00 0.84 0.00 0.00 57.88 58.64 3b78 h LEU 536 Cb 0.53 -0.07 -0.05 0.00 0.37 0.00 0.00 40.66 41.45 3b78 h LEU 536 CO -0.18 0.34 0.44 -0.74 -0.34 0.00 0.00 178.44 177.97 3b78 h HIS 537 N 0.17 0.82 -0.16 1.25 2.76 -1.93 -2.53 115.15 115.52 3b78 h HIS 537 Ca 0.07 0.02 -0.02 0.00 -2.20 0.00 0.00 60.37 58.24 3b78 h HIS 537 Cb 0.16 -0.26 -0.01 0.00 1.55 0.00 0.00 27.41 28.85 3b78 h HIS 537 CO -0.02 0.45 0.04 1.25 -1.30 0.00 0.00 177.93 178.35 3b78 h LEU 538 N 0.84 0.24 -0.53 0.26 5.85 -0.91 -1.77 115.31 119.29 3b78 h LEU 538 Ca 0.30 -0.24 0.00 0.00 0.84 0.00 0.00 57.88 58.78 3b78 h LEU 538 Cb 0.07 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.03 3b78 h LEU 538 CO -0.13 0.42 0.00 -1.84 -0.34 0.00 0.00 178.44 176.55 3b78 n GLU 539 N -4.81 0.16 -0.02 1.25 0.28 -0.78 -1.34 120.64 115.38 3b78 n GLU 539 Ca -0.05 0.38 -0.21 0.00 -0.16 0.00 0.00 57.16 57.12 3b78 n GLU 539 Cb 0.17 -1.79 -0.14 0.00 1.43 0.00 0.00 31.44 31.11 3b78 n GLU 539 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 177.13 176.08 3b78 n ILE 540 N -2.09 1.73 0.42 3.84 5.41 -0.97 -2.77 119.36 124.94 3b78 n ILE 540 Ca 0.03 -0.63 0.06 0.00 1.00 0.00 0.00 62.75 63.21 3b78 n ILE 540 Cb 0.23 -1.69 0.28 0.00 -0.71 0.00 0.00 39.64 37.75 3b78 n ILE 540 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3b78 h LEU 542 N 0.00 0.37 -0.60 0.00 5.85 -1.27 -3.23 115.31 116.43 3b78 h LEU 542 Ca 0.00 -0.87 -0.01 0.00 0.84 0.00 0.00 57.88 57.84 3b78 h LEU 542 Cb 0.22 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.10 3b78 h LEU 542 CO 0.00 1.77 0.33 1.56 -0.34 0.00 0.00 178.44 181.76 3b78 h GLN 543 N -0.14 0.84 0.00 1.25 4.20 -1.33 -2.44 115.11 117.48 3b78 h GLN 543 Ca -0.39 -0.10 -0.03 0.00 0.06 0.00 0.00 58.65 58.19 3b78 h GLN 543 Cb 1.89 -0.16 -0.00 0.00 0.30 0.00 0.00 27.48 29.51 3b78 h GLN 543 CO 0.05 0.63 -0.14 -0.44 -0.67 0.00 0.00 178.83 178.26 3b78 h ASP 544 N 0.81 0.00 -0.22 1.46 3.32 -1.70 -2.94 116.42 117.16 3b78 h ASP 544 Ca 0.21 0.00 -0.16 0.00 0.02 0.00 0.00 57.03 57.11 3b78 h ASP 544 Cb 0.04 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.59 3b78 h ASP 544 CO -0.03 0.14 -0.47 0.25 -1.72 0.00 0.00 179.24 177.41 3b78 h LEU 545 N 0.00 0.80 -1.39 1.55 5.85 -1.46 0.12 115.31 120.79 3b78 h LEU 545 Ca -0.00 -0.55 0.00 0.00 0.84 0.00 0.00 57.88 58.17 3b78 h LEU 545 Cb 0.62 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 41.42 3b78 h LEU 545 CO 0.02 1.20 0.00 -1.84 -0.34 0.00 0.00 178.44 177.48 3b78 n GLU 546 N -4.15 1.97 0.00 1.25 -0.00 -1.10 -1.90 120.64 116.71 3b78 n GLU 546 Ca -0.06 -1.11 0.00 0.00 -0.00 0.00 0.00 57.16 55.99 3b78 n GLU 546 Cb 0.58 -1.42 0.00 0.00 -0.00 0.00 0.00 31.44 30.60 3b78 n GLU 546 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.13 178.71 3b78 n HIS 547 N 0.31 0.00 -0.00 -1.84 -0.00 -1.14 -3.78 115.22 108.78 3b78 n HIS 547 Ca 0.10 0.00 0.01 0.00 0.46 0.00 0.00 57.72 58.29 3b78 n HIS 547 Cb 0.37 0.00 -0.01 0.00 -0.12 0.00 0.00 29.99 30.23 3b78 n HIS 547 CO 0.00 0.00 0.00 -0.25 0.46 0.00 0.00 176.34 176.55 3b78 n ASP 548 N -0.26 4.60 0.00 0.26 8.00 0.43 -4.71 116.55 124.88 3b78 n ASP 548 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 3b78 n ASP 548 Cb 0.00 0.98 0.00 0.00 -0.02 0.00 0.00 41.12 42.08 3b78 n ASP 548 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 3b78 n HIS 549 N -1.65 0.00 -3.38 1.24 8.25 -0.87 -5.02 115.22 113.79 3b78 n HIS 549 Ca -0.01 -0.07 -0.04 0.00 -0.26 0.00 0.00 57.72 57.34 3b78 n HIS 549 Cb 0.14 -0.01 0.01 0.00 1.12 0.00 0.00 29.99 31.24 3b78 n HIS 549 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3b78 n ALA 550 N -0.07 -0.51 -0.05 -1.41 0.00 -0.80 -2.76 120.51 114.91 3b78 n ALA 550 Ca 0.00 -0.48 -0.11 0.00 0.00 0.00 0.00 53.44 52.86 3b78 n ALA 550 Cb 0.10 0.38 -0.04 0.00 0.00 0.00 0.00 19.45 19.89 3b78 n ALA 550 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3b78 n GLY 551 N -0.19 -0.17 3.01 0.00 0.00 -1.25 -3.67 105.19 102.92 3b78 n GLY 551 Ca -0.02 -0.06 -0.20 0.00 0.00 0.00 0.00 46.02 45.74 3b78 n GLY 551 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3b78 s VAL 552 N -2.20 0.79 -0.44 1.61 1.01 -1.25 -4.75 120.40 115.17 3b78 s VAL 552 Ca -0.15 -0.37 -0.42 0.00 0.00 0.00 0.00 61.98 61.04 3b78 s VAL 552 Cb 0.05 -0.70 -0.17 0.00 0.00 0.00 0.00 36.38 35.56 3b78 s VAL 552 CO 0.20 0.25 2.03 -0.81 0.00 0.00 0.00 175.10 176.76 3b78 n PRO 553 N 3.26 0.40 0.00 2.72 -0.04 -1.26 -4.93 135.00 135.15 3b78 n PRO 553 Ca -0.18 0.12 0.00 0.00 -0.04 0.00 0.00 63.50 63.40 3b78 n PRO 553 Cb 0.54 -1.81 0.00 0.00 -0.04 0.00 0.00 33.50 32.19 3b78 n PRO 553 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3b78 n LEU 554 N 7.32 0.00 -3.89 1.53 4.77 -1.26 -4.79 117.00 120.68 3b78 n LEU 554 Ca 0.45 0.00 -0.40 0.00 -0.03 0.00 0.00 56.01 56.03 3b78 n LEU 554 Cb 0.04 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.09 3b78 n LEU 554 CO 0.85 0.00 2.06 1.17 -1.33 0.00 0.00 177.39 180.13 3b78 n LYS 555 N 0.00 1.81 -2.93 3.23 3.00 0.04 -4.88 118.16 118.43 3b78 n LYS 555 Ca 0.00 -2.16 -0.44 0.00 -0.00 0.00 0.00 58.31 55.71 3b78 n LYS 555 Cb 0.00 -3.17 -0.04 0.00 0.00 0.00 0.00 35.03 31.82 3b78 n LYS 555 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.40 175.90 3b78 s ILE 556 N 5.95 4.53 0.92 3.15 2.07 -1.26 -2.31 121.20 134.26 3b78 s ILE 556 Ca 0.58 -0.78 -0.12 0.00 -1.41 0.00 0.00 60.65 58.92 3b78 s ILE 556 Cb 0.11 -4.66 0.14 0.00 0.13 0.00 0.00 42.46 38.18 3b78 s ILE 556 CO 0.09 -1.39 1.11 -0.94 -1.91 0.00 0.00 174.94 171.90 3b78 s SER 557 N 3.65 3.33 0.77 4.50 1.04 -0.80 -4.99 113.70 121.19 3b78 s SER 557 Ca 0.22 1.19 -0.15 0.00 0.48 0.00 0.00 55.95 57.69 3b78 s SER 557 Cb -0.16 -1.84 0.04 0.00 0.10 0.00 0.00 66.02 64.16 3b78 s SER 557 CO 0.05 -2.69 1.09 -2.65 0.98 0.00 0.00 173.24 170.02 3b78 n PRO 558 N -3.88 0.37 -1.78 4.02 -0.02 -1.26 -4.63 135.00 127.83 3b78 n PRO 558 Ca 0.06 0.19 -0.41 0.00 -2.02 0.00 0.00 63.50 61.32 3b78 n PRO 558 Cb 0.57 -2.34 -0.00 0.00 -0.02 0.00 0.00 33.50 31.71 3b78 n PRO 558 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 3b78 n PRO 559 N -2.54 2.71 -4.78 0.52 -0.02 -1.26 -4.68 135.00 124.94 3b78 n PRO 559 Ca 0.13 0.95 -0.26 0.00 -2.02 0.00 0.00 63.50 62.31 3b78 n PRO 559 Cb 0.50 -2.69 -0.16 0.00 -0.02 0.00 0.00 33.50 31.12 3b78 n PRO 559 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3b78 s VAL 560 N -0.99 1.36 -0.00 -1.45 1.01 0.50 -4.96 120.40 115.87 3b78 s VAL 560 Ca 0.54 -0.66 -0.19 0.00 0.00 0.00 0.00 61.98 61.67 3b78 s VAL 560 Cb -0.47 -1.18 -0.06 0.00 0.00 0.00 0.00 36.38 34.67 3b78 s VAL 560 CO 0.62 0.40 0.54 -0.69 0.00 0.00 0.00 175.10 175.97 3b78 s VAL 561 N 0.17 4.93 0.26 2.92 1.01 -1.26 -0.79 120.40 127.64 3b78 s VAL 561 Ca -0.06 1.12 -0.30 0.00 0.00 0.00 0.00 61.98 62.74 3b78 s VAL 561 Cb -0.12 -3.87 -0.09 0.00 0.00 0.00 0.00 36.38 32.30 3b78 s VAL 561 CO 0.03 0.47 1.06 0.00 0.00 0.00 0.00 175.10 176.65 3b78 s ALA 562 N -0.46 3.39 0.38 5.51 0.00 0.13 -4.99 121.76 125.72 3b78 s ALA 562 Ca 0.28 0.82 0.04 0.00 0.00 0.00 0.00 51.96 53.11 3b78 s ALA 562 Cb -0.18 -3.30 -0.06 0.00 0.00 0.00 0.00 23.12 19.59 3b78 s ALA 562 CO 0.16 -0.06 0.05 0.71 0.00 0.00 0.00 175.76 176.62 3b78 s TYR 563 N -1.13 2.07 0.05 0.00 2.02 -1.26 -4.28 117.35 114.82 3b78 s TYR 563 Ca 0.44 -0.93 0.06 0.00 -0.37 0.00 0.00 57.07 56.27 3b78 s TYR 563 Cb -0.30 -1.43 -0.03 0.00 -0.40 0.00 0.00 41.96 39.80 3b78 s TYR 563 CO 0.38 0.11 -0.17 1.03 -1.57 0.00 0.00 175.55 175.33 3b78 s ARG 564 N -3.82 1.05 -0.18 -0.62 1.81 -0.61 -4.26 118.95 112.32 3b78 s ARG 564 Ca 0.31 -0.89 -0.06 0.00 -1.72 0.00 0.00 55.73 53.37 3b78 s ARG 564 Cb 0.07 -1.12 -0.03 0.00 -0.45 0.00 0.00 34.95 33.42 3b78 s ARG 564 CO 0.15 0.27 0.02 -1.21 -0.68 0.00 0.00 175.30 173.85 3b78 s GLU 565 N -1.35 3.78 0.22 3.54 2.02 -0.73 -0.02 118.70 126.16 3b78 s GLU 565 Ca 0.03 -0.45 -0.01 0.00 0.02 0.00 0.00 54.97 54.57 3b78 s GLU 565 Cb -0.09 -3.11 -0.04 0.00 0.10 0.00 0.00 34.13 31.00 3b78 s GLU 565 CO 0.02 0.17 0.17 -0.08 0.02 0.00 0.00 175.26 175.56 3b78 s THR 566 N 0.61 0.00 0.19 3.63 -1.32 0.03 -1.08 115.64 117.69 3b78 s THR 566 Ca 0.01 -1.96 0.10 0.00 -1.21 0.00 0.00 61.69 58.62 3b78 s THR 566 Cb -0.14 -2.48 -0.04 0.00 -1.51 0.00 0.00 72.50 68.33 3b78 s THR 566 CO 0.02 0.00 -0.13 0.68 -2.21 0.00 0.00 174.62 172.98 3b78 s VAL 567 N -4.05 2.99 -0.43 5.08 -7.23 -1.26 -0.39 120.40 115.10 3b78 s VAL 567 Ca 0.38 -1.77 0.14 0.00 -1.81 0.00 0.00 61.98 58.93 3b78 s VAL 567 Cb 0.06 -2.47 -0.18 0.00 0.56 0.00 0.00 36.38 34.35 3b78 s VAL 567 CO 0.14 -0.12 0.49 1.21 -0.31 0.00 0.00 175.10 176.51 3b78 n GLU 568 N 0.06 1.68 -1.07 4.82 4.07 -0.14 -4.50 120.64 125.56 3b78 n GLU 568 Ca -0.11 -0.05 -0.00 0.00 -0.06 0.00 0.00 57.16 56.94 3b78 n GLU 568 Cb 0.56 -1.23 0.00 0.00 -0.06 0.00 0.00 31.44 30.71 3b78 n GLU 568 CO 0.00 0.00 0.00 -1.13 -0.06 0.00 0.00 177.13 175.94 3b78 n SER 569 N -1.57 -0.02 -4.82 4.31 3.41 -1.08 -4.85 113.62 108.99 3b78 n SER 569 Ca 0.01 -1.01 -0.35 0.00 -0.26 0.00 0.00 58.87 57.26 3b78 n SER 569 Cb 0.27 0.03 -0.06 0.00 -0.26 0.00 0.00 64.21 64.19 3b78 n SER 569 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 3b78 s GLU 570 N -2.00 4.19 -0.01 4.33 2.12 -1.26 -4.12 118.70 121.95 3b78 s GLU 570 Ca 0.00 0.85 -0.38 0.00 0.36 0.00 0.00 54.97 55.81 3b78 s GLU 570 Cb -0.00 -2.67 -0.16 0.00 0.26 0.00 0.00 34.13 31.56 3b78 s GLU 570 CO 0.00 0.27 1.44 0.43 -0.54 0.00 0.00 175.26 176.87 3b78 n SER 571 N 0.23 1.83 0.17 -1.70 7.64 -0.37 -4.59 113.62 116.83 3b78 n SER 571 Ca 0.01 1.11 0.15 0.00 1.01 0.00 0.00 58.87 61.14 3b78 n SER 571 Cb 0.52 -1.18 0.73 0.00 -1.01 0.00 0.00 64.21 63.27 3b78 n SER 571 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 3b78 h SER 572 N 5.23 0.00 -5.17 6.43 4.64 -1.10 -3.43 113.55 120.15 3b78 h SER 572 Ca -0.47 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 60.79 3b78 h SER 572 Cb 1.33 0.00 -0.11 0.00 -0.31 0.00 0.00 62.40 63.31 3b78 h SER 572 CO 0.82 0.00 -0.14 0.00 -0.87 0.00 0.00 176.83 176.64 3b78 s GLN 573 N -4.90 1.27 0.25 4.77 -2.07 -1.26 -5.14 119.66 112.58 3b78 s GLN 573 Ca -0.05 -1.01 -0.30 0.00 -1.82 0.00 0.00 55.36 52.18 3b78 s GLN 573 Cb 0.17 0.45 -0.11 0.00 -1.09 0.00 0.00 33.01 32.44 3b78 s GLN 573 CO 0.64 -0.50 1.53 0.99 -1.32 0.00 0.00 175.29 176.63 3b78 s THR 574 N -3.92 2.42 -0.06 3.63 2.01 -1.26 -4.94 115.64 113.52 3b78 s THR 574 Ca 0.13 0.34 -0.21 0.00 0.31 0.00 0.00 61.69 62.26 3b78 s THR 574 Cb 0.01 -3.22 -0.04 0.00 0.01 0.00 0.00 72.50 69.26 3b78 s THR 574 CO -0.02 0.05 0.59 0.00 -0.69 0.00 0.00 174.62 174.55 3b78 s ALA 575 N 0.24 3.44 -0.06 7.40 0.00 -0.10 -4.94 121.76 127.73 3b78 s ALA 575 Ca 0.63 -0.01 0.02 0.00 0.00 0.00 0.00 51.96 52.61 3b78 s ALA 575 Cb -0.45 -2.78 0.01 0.00 0.00 0.00 0.00 23.12 19.91 3b78 s ALA 575 CO 0.42 0.03 -0.13 -1.17 0.00 0.00 0.00 175.76 174.92 3b78 s LEU 576 N 0.38 1.68 -0.00 0.00 2.96 -1.26 -1.44 118.68 120.99 3b78 s LEU 576 Ca 0.31 -0.30 0.01 0.00 -0.22 0.00 0.00 54.13 53.93 3b78 s LEU 576 Cb -0.17 -0.83 -0.00 0.00 0.50 0.00 0.00 46.19 45.69 3b78 s LEU 576 CO 0.15 0.05 -0.02 -0.55 -1.32 0.00 0.00 176.35 174.66 3b78 s SER 577 N 0.58 0.27 0.04 3.68 0.15 -0.97 -0.45 113.70 117.01 3b78 s SER 577 Ca -0.13 -0.06 0.07 0.00 0.70 0.00 0.00 55.95 56.54 3b78 s SER 577 Cb -0.15 -0.03 -0.03 0.00 -1.71 0.00 0.00 66.02 64.10 3b78 s SER 577 CO 0.04 0.02 -0.19 -0.75 1.20 0.00 0.00 173.24 173.55 3b78 s LYS 578 N -0.10 2.03 0.66 5.44 2.20 -1.26 -1.78 119.74 126.92 3b78 s LYS 578 Ca 0.00 -1.00 -0.15 0.00 -0.36 0.00 0.00 55.97 54.46 3b78 s LYS 578 Cb -0.01 -2.15 0.00 0.00 -1.51 0.00 0.00 37.83 34.16 3b78 s LYS 578 CO -0.00 0.54 1.12 -1.54 -0.36 0.00 0.00 175.35 175.10 3b78 s SER 579 N -1.41 5.05 0.55 1.43 1.04 -0.28 -4.81 113.70 115.27 3b78 s SER 579 Ca 0.14 2.03 0.28 0.00 0.48 0.00 0.00 55.95 58.88 3b78 s SER 579 Cb -0.10 -2.55 1.45 0.00 0.10 0.00 0.00 66.02 64.91 3b78 s SER 579 CO 0.05 -1.67 1.95 1.55 0.98 0.00 0.00 173.24 176.10 3b78 h PRO 580 N 0.03 0.00 -0.00 4.02 0.13 -1.90 0.29 132.00 134.55 3b78 h PRO 580 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 3b78 h PRO 580 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 3b78 h PRO 580 CO 0.54 0.00 -0.14 0.27 -0.23 0.00 0.00 178.00 178.44 3b78 n ASN 581 N -4.18 0.51 0.00 1.44 0.23 -1.26 -4.93 115.26 107.07 3b78 n ASN 581 Ca 0.11 -0.54 0.00 0.00 -0.53 0.00 0.00 54.58 53.62 3b78 n ASN 581 Cb 0.70 -0.06 0.00 0.00 -2.08 0.00 0.00 39.78 38.34 3b78 n ASN 581 CO 0.00 0.00 0.00 0.29 -0.93 0.00 0.00 177.26 176.62 3b78 n LYS 582 N -0.97 -0.49 0.01 -3.83 4.76 0.10 -4.86 118.16 112.88 3b78 n LYS 582 Ca 0.13 0.12 0.11 0.00 -2.87 0.00 0.00 58.31 55.81 3b78 n LYS 582 Cb 0.29 -3.50 -0.13 0.00 -1.84 0.00 0.00 35.03 29.85 3b78 n LYS 582 CO 0.00 0.00 0.00 0.72 -1.37 0.00 0.00 177.40 176.75 3b78 n HIS 583 N -2.60 0.16 -5.04 2.13 8.25 -1.26 -4.91 115.22 111.94 3b78 n HIS 583 Ca 0.00 0.05 -0.31 0.00 -0.26 0.00 0.00 57.72 57.19 3b78 n HIS 583 Cb 0.12 -0.54 -0.14 0.00 1.12 0.00 0.00 29.99 30.55 3b78 n HIS 583 CO 0.00 0.00 0.00 -0.80 0.64 0.00 0.00 176.34 176.18 3b78 s ASN 584 N -4.53 3.46 0.05 0.41 0.01 -1.26 -3.79 114.94 109.30 3b78 s ASN 584 Ca -0.05 -0.40 0.03 0.00 -0.71 0.00 0.00 52.86 51.73 3b78 s ASN 584 Cb 0.13 -0.52 -0.03 0.00 0.41 0.00 0.00 41.25 41.25 3b78 s ASN 584 CO 0.88 0.31 -0.10 -0.13 -1.51 0.00 0.00 177.10 176.56 3b78 s ARG 585 N -0.85 0.63 -0.05 -0.60 0.52 -0.59 -1.12 118.95 116.89 3b78 s ARG 585 Ca 0.11 -0.84 -0.00 0.00 -0.52 0.00 0.00 55.73 54.49 3b78 s ARG 585 Cb -0.10 -0.47 0.03 0.00 0.52 0.00 0.00 34.95 34.92 3b78 s ARG 585 CO 0.01 0.09 -0.01 0.42 0.02 0.00 0.00 175.30 175.83 3b78 s ILE 586 N -1.39 0.33 -0.12 1.52 1.01 -0.73 -1.96 121.20 119.86 3b78 s ILE 586 Ca -0.07 0.06 -0.02 0.00 0.00 0.00 0.00 60.65 60.62 3b78 s ILE 586 Cb -0.10 -0.44 -0.03 0.00 0.01 0.00 0.00 42.46 41.91 3b78 s ILE 586 CO 0.01 0.21 -0.05 -0.31 0.00 0.00 0.00 174.94 174.80 3b78 s TYR 587 N 1.37 2.99 0.23 3.97 2.02 0.13 -2.28 117.35 125.78 3b78 s TYR 587 Ca -0.04 -0.20 -0.17 0.00 -0.37 0.00 0.00 57.07 56.28 3b78 s TYR 587 Cb -0.13 -1.87 0.02 0.00 -0.40 0.00 0.00 41.96 39.58 3b78 s TYR 587 CO -0.02 0.09 0.57 -0.48 -1.57 0.00 0.00 175.55 174.13 3b78 s LEU 588 N -0.06 0.03 0.02 -1.29 0.05 -0.52 -0.83 118.68 116.08 3b78 s LEU 588 Ca 0.01 -0.63 0.01 0.00 0.05 0.00 0.00 54.13 53.57 3b78 s LEU 588 Cb -0.13 2.22 -0.01 0.00 -2.05 0.00 0.00 46.19 46.21 3b78 s LEU 588 CO 0.03 -1.16 -0.05 -0.54 -0.55 0.00 0.00 176.35 174.08 3b78 s LYS 589 N -3.92 0.36 0.12 1.48 1.02 -0.48 -0.93 119.74 117.39 3b78 s LYS 589 Ca 0.13 -0.44 0.04 0.00 0.02 0.00 0.00 55.97 55.72 3b78 s LYS 589 Cb -0.02 -0.18 -0.04 0.00 -0.52 0.00 0.00 37.83 37.07 3b78 s LYS 589 CO 0.03 0.03 0.13 0.00 -0.92 0.00 0.00 175.35 174.63 3b78 s ALA 590 N -0.83 3.63 0.13 5.17 0.00 -1.26 -0.34 121.76 128.26 3b78 s ALA 590 Ca -0.07 -1.10 -0.22 0.00 0.00 0.00 0.00 51.96 50.57 3b78 s ALA 590 Cb -0.06 -1.46 0.06 0.00 0.00 0.00 0.00 23.12 21.66 3b78 s ALA 590 CO -0.00 0.62 0.57 -1.83 0.00 0.00 0.00 175.76 175.12 3b78 s GLU 591 N -2.81 1.21 0.43 0.00 -1.05 -0.06 -1.23 118.70 115.19 3b78 s GLU 591 Ca 0.31 -0.43 -0.23 0.00 -0.15 0.00 0.00 54.97 54.46 3b78 s GLU 591 Cb -0.11 0.55 -0.08 0.00 -0.44 0.00 0.00 34.13 34.05 3b78 s GLU 591 CO 0.24 -0.50 1.10 -2.14 0.95 0.00 0.00 175.26 174.90 3b78 s PRO 592 N -3.46 3.96 -0.19 -4.83 0.02 -1.26 -0.71 135.00 128.54 3b78 s PRO 592 Ca -0.00 1.63 -0.11 0.00 0.02 0.00 0.00 61.00 62.54 3b78 s PRO 592 Cb -0.00 -2.46 -0.05 0.00 0.02 0.00 0.00 34.50 32.01 3b78 s PRO 592 CO -0.10 -0.35 0.17 0.42 -0.33 0.00 0.00 177.00 176.81 3b78 s ILE 593 N -1.62 5.39 0.54 2.83 1.01 0.27 -4.74 121.20 124.88 3b78 s ILE 593 Ca 0.61 0.27 -0.21 0.00 0.00 0.00 0.00 60.65 61.32 3b78 s ILE 593 Cb -0.25 -3.50 -0.06 0.00 0.01 0.00 0.00 42.46 38.66 3b78 s ILE 593 CO 0.31 0.43 1.16 0.47 0.00 0.00 0.00 174.94 177.31 3b78 n ASP 594 N 3.49 1.80 -0.17 3.58 8.00 -1.26 -4.76 116.55 127.23 3b78 n ASP 594 Ca -0.15 0.94 -0.02 0.00 0.71 0.00 0.00 54.79 56.27 3b78 n ASP 594 Cb 0.52 -1.47 0.07 0.00 -0.02 0.00 0.00 41.12 40.22 3b78 n ASP 594 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 3b78 h GLU 595 N 1.18 0.21 -0.31 -1.24 4.39 -1.98 -1.44 114.58 115.39 3b78 h GLU 595 Ca -0.49 -0.01 0.02 0.00 0.34 0.00 0.00 59.36 59.23 3b78 h GLU 595 Cb 1.33 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 29.91 3b78 h GLU 595 CO 0.55 0.14 0.21 1.05 -1.16 0.00 0.00 179.01 179.80 3b78 h GLU 596 N 0.22 0.32 -0.03 2.33 4.11 -1.99 0.22 114.58 119.76 3b78 h GLU 596 Ca 0.26 -0.02 -0.20 0.00 0.07 0.00 0.00 59.36 59.48 3b78 h GLU 596 Cb 0.37 -0.07 0.01 0.00 0.50 0.00 0.00 28.75 29.56 3b78 h GLU 596 CO -0.36 0.21 -0.75 0.28 0.07 0.00 0.00 179.01 178.46 3b78 h VAL 597 N 0.33 1.35 -0.68 -1.06 2.07 -1.66 -0.99 116.25 115.60 3b78 h VAL 597 Ca 0.13 -2.08 -0.02 0.00 0.82 0.00 0.00 66.70 65.55 3b78 h VAL 597 Cb 0.11 2.39 -0.03 0.00 -1.52 0.00 0.00 31.29 32.23 3b78 h VAL 597 CO -0.03 0.63 0.36 0.28 0.02 0.00 0.00 177.57 178.84 3b78 h SER 598 N 0.17 0.86 -0.52 0.57 0.02 -0.46 -0.97 113.55 113.22 3b78 h SER 598 Ca -0.08 -0.10 -0.02 0.00 -0.84 0.00 0.00 61.79 60.74 3b78 h SER 598 Cb 1.43 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 63.72 3b78 h SER 598 CO 0.15 0.72 0.25 -0.07 -1.14 0.00 0.00 176.83 176.74 3b78 h LEU 599 N 0.94 0.67 -1.20 5.07 3.38 -0.62 -1.02 115.31 122.54 3b78 h LEU 599 Ca 0.24 -0.13 0.01 0.00 0.09 0.00 0.00 57.88 58.09 3b78 h LEU 599 Cb 0.06 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 40.59 3b78 h LEU 599 CO -0.04 0.61 0.54 0.00 0.09 0.00 0.00 178.44 179.65 3b78 h ALA 600 N 1.09 1.42 -0.49 1.53 0.00 -0.69 0.51 119.26 122.63 3b78 h ALA 600 Ca 0.18 -0.06 -0.13 0.00 0.00 0.00 0.00 54.91 54.90 3b78 h ALA 600 Cb 0.11 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 3b78 h ALA 600 CO -0.02 0.53 -0.21 0.82 0.00 0.00 0.00 179.25 180.37 3b78 h ILE 601 N 1.10 1.27 0.00 0.00 2.04 -0.91 0.12 117.51 121.13 3b78 h ILE 601 Ca 0.30 -1.38 -0.02 0.00 1.00 0.00 0.00 64.86 64.76 3b78 h ILE 601 Cb -0.11 1.11 -0.00 0.00 -0.74 0.00 0.00 36.82 37.07 3b78 h ILE 601 CO -0.07 0.48 -0.10 -0.33 0.00 0.00 0.00 178.15 178.13 3b78 h GLU 602 N 0.87 0.00 -0.41 2.37 5.08 -0.01 -3.11 114.58 119.37 3b78 h GLU 602 Ca 0.11 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 3b78 h GLU 602 Cb 0.79 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.04 3b78 h GLU 602 CO 0.07 0.10 0.00 0.09 -1.00 0.00 0.00 179.01 178.27 3b78 n ASN 603 N -3.18 3.51 0.00 1.42 3.02 0.17 -4.95 115.26 115.25 3b78 n ASN 603 Ca 0.02 -1.99 0.00 0.00 -0.03 0.00 0.00 54.58 52.57 3b78 n ASN 603 Cb 0.44 -0.27 0.00 0.00 -0.61 0.00 0.00 39.78 39.34 3b78 n ASN 603 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3b78 n GLY 604 N 1.50 0.90 0.19 7.41 0.00 -0.87 -4.90 105.19 109.42 3b78 n GLY 604 Ca 0.20 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.13 3b78 n GLY 604 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3b78 h ILE 605 N 0.00 1.20 -3.40 -0.61 1.08 -1.05 -3.36 117.51 111.37 3b78 h ILE 605 Ca 0.00 -0.62 -0.72 0.00 -0.39 0.00 0.00 64.86 63.12 3b78 h ILE 605 Cb 0.00 0.86 -0.31 0.00 -3.07 0.00 0.00 36.82 34.30 3b78 h ILE 605 CO 0.00 0.22 -0.35 -0.63 -0.69 0.00 0.00 178.15 176.70 3b78 s ILE 606 N -5.53 4.18 0.00 -0.67 1.01 -0.90 -4.99 121.20 114.31 3b78 s ILE 606 Ca -0.13 -2.06 -0.12 0.00 0.00 0.00 0.00 60.65 58.34 3b78 s ILE 606 Cb 0.10 -3.74 -0.05 0.00 0.01 0.00 0.00 42.46 38.78 3b78 s ILE 606 CO 0.75 -0.81 0.35 0.20 0.00 0.00 0.00 174.94 175.44 3b78 s ASN 607 N 2.24 6.68 0.28 3.58 0.01 -1.26 -4.46 114.94 122.00 3b78 s ASN 607 Ca 0.09 0.81 0.02 0.00 -0.71 0.00 0.00 52.86 53.07 3b78 s ASN 607 Cb -0.23 -2.19 0.41 0.00 0.41 0.00 0.00 41.25 39.64 3b78 s ASN 607 CO -0.02 0.30 1.72 -0.65 -1.51 0.00 0.00 177.10 176.93 3b78 h PRO 608 N 4.45 0.49 -0.28 -0.60 0.11 -1.94 -2.98 132.00 131.26 3b78 h PRO 608 Ca -0.51 -0.18 0.00 0.00 0.11 0.00 0.00 66.00 65.41 3b78 h PRO 608 Cb 1.21 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.29 3b78 h PRO 608 CO 0.62 0.70 0.00 2.89 -0.21 0.00 0.00 178.00 182.01 3b78 n ARG 609 N -4.12 2.08 -1.71 1.05 0.00 -1.26 -4.93 116.66 107.77 3b78 n ARG 609 Ca -0.00 -1.63 -0.32 0.00 -0.00 0.00 0.00 57.85 55.89 3b78 n ARG 609 Cb 0.41 -1.44 0.05 0.00 -0.00 0.00 0.00 32.46 31.47 3b78 n ARG 609 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.63 177.97 3b78 s ASP 610 N -1.49 5.16 0.09 2.89 2.15 -1.13 -4.95 116.67 119.39 3b78 s ASP 610 Ca 0.35 1.89 -0.31 0.00 0.43 0.00 0.00 52.55 54.91 3b78 s ASP 610 Cb 0.19 -2.54 -0.10 0.00 -0.30 0.00 0.00 42.92 40.18 3b78 s ASP 610 CO 0.28 -1.59 1.90 -0.67 -0.17 0.00 0.00 175.17 174.92 3b78 n ASP 611 N -2.61 4.11 -0.05 -0.34 2.03 -1.26 -4.87 116.55 113.56 3b78 n ASP 611 Ca 0.09 0.95 0.07 0.00 0.52 0.00 0.00 54.79 56.43 3b78 n ASP 611 Cb 0.52 -1.54 0.45 0.00 -0.72 0.00 0.00 41.12 39.83 3b78 n ASP 611 CO 0.00 0.00 0.00 2.19 -1.92 0.00 0.00 177.20 177.47 3b78 h PHE 612 N 9.42 0.51 -0.22 -0.67 -5.15 -1.94 0.11 116.94 119.00 3b78 h PHE 612 Ca -0.48 0.01 -0.18 0.00 -0.20 0.00 0.00 57.97 57.13 3b78 h PHE 612 Cb 1.23 -0.17 -0.00 0.00 0.22 0.00 0.00 35.95 37.23 3b78 h PHE 612 CO 0.86 0.28 -0.57 0.87 -2.00 0.00 0.00 178.31 177.75 3b78 h LYS 613 N 0.52 0.70 -0.20 6.09 1.57 -1.93 -0.51 116.57 122.81 3b78 h LYS 613 Ca 0.22 -0.46 -0.21 0.00 -1.87 0.00 0.00 60.65 58.34 3b78 h LYS 613 Cb 0.21 0.06 0.01 0.00 0.08 0.00 0.00 32.23 32.59 3b78 h LYS 613 CO -0.06 1.08 -0.68 0.00 -0.57 0.00 0.00 179.45 179.22 3b78 h ALA 614 N 0.82 0.40 -0.51 3.86 0.00 -1.66 -2.33 119.26 119.84 3b78 h ALA 614 Ca 0.01 -0.57 -0.08 0.00 0.00 0.00 0.00 54.91 54.27 3b78 h ALA 614 Cb 1.15 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.88 3b78 h ALA 614 CO 0.12 0.69 0.00 -0.09 0.00 0.00 0.00 179.25 179.97 3b78 h ARG 615 N 0.58 0.90 -0.77 0.00 2.43 -0.82 -2.71 114.38 113.99 3b78 h ARG 615 Ca -0.02 -0.29 -0.02 0.00 -0.81 0.00 0.00 59.98 58.84 3b78 h ARG 615 Cb 1.30 -0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 30.73 3b78 h ARG 615 CO 0.14 0.93 0.39 0.00 -1.51 0.00 0.00 179.97 179.92 3b78 h ALA 616 N 0.94 1.24 -0.57 2.80 0.00 -1.07 -0.97 119.26 121.62 3b78 h ALA 616 Ca 0.15 -0.13 0.06 0.00 0.00 0.00 0.00 54.91 54.98 3b78 h ALA 616 Cb 0.52 -0.31 -0.05 0.00 0.00 0.00 0.00 17.79 17.95 3b78 h ALA 616 CO 0.03 0.59 0.28 -0.09 0.00 0.00 0.00 179.25 180.06 3b78 h ARG 617 N 1.08 0.52 -0.25 0.00 9.65 -1.20 -1.20 114.38 122.97 3b78 h ARG 617 Ca 0.27 -0.03 -0.02 0.00 -1.10 0.00 0.00 59.98 59.09 3b78 h ARG 617 Cb 0.07 -0.12 -0.01 0.00 -1.39 0.00 0.00 29.97 28.52 3b78 h ARG 617 CO -0.04 0.34 0.06 0.82 2.80 0.00 0.00 179.97 183.96 3b78 h ILE 618 N 0.53 1.21 -0.08 1.20 2.04 -1.06 -1.36 117.51 119.99 3b78 h ILE 618 Ca 0.26 -0.69 -0.06 0.00 1.00 0.00 0.00 64.86 65.37 3b78 h ILE 618 Cb 0.20 1.18 -0.01 0.00 -0.74 0.00 0.00 36.82 37.45 3b78 h ILE 618 CO -0.20 0.22 -0.24 0.24 0.00 0.00 0.00 178.15 178.17 3b78 h MET 619 N 0.24 0.14 0.15 2.37 2.86 -0.89 -0.49 114.93 119.31 3b78 h MET 619 Ca 0.08 -0.04 -0.23 0.00 -2.06 0.00 0.00 59.70 57.45 3b78 h MET 619 Cb 0.28 -0.01 0.02 0.00 0.06 0.00 0.00 31.60 31.94 3b78 h MET 619 CO 0.00 0.38 -1.03 0.00 1.06 0.00 0.00 176.91 177.32 3b78 h ALA 620 N 1.63 -0.04 -0.08 6.32 0.00 -1.17 -1.91 119.26 124.00 3b78 h ALA 620 Ca 0.02 -0.80 -0.21 0.00 0.00 0.00 0.00 54.91 53.91 3b78 h ALA 620 Cb 0.50 0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.49 3b78 h ALA 620 CO 0.04 0.52 -0.82 -0.44 0.00 0.00 0.00 179.25 178.54 3b78 h ASP 621 N -0.29 0.70 0.00 0.00 3.32 -1.15 -3.21 116.42 115.80 3b78 h ASP 621 Ca -0.19 -0.49 -0.05 0.00 0.02 0.00 0.00 57.03 56.32 3b78 h ASP 621 Cb 1.74 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 41.07 3b78 h ASP 621 CO 0.15 1.27 -1.82 0.47 -1.72 0.00 0.00 179.24 177.58 3b78 n ASP 622 N -3.86 1.17 -0.19 6.45 8.00 -0.20 -4.66 116.55 123.26 3b78 n ASP 622 Ca -0.07 0.00 0.05 0.00 0.71 0.00 0.00 54.79 55.49 3b78 n ASP 622 Cb 0.76 1.60 0.07 0.00 -0.02 0.00 0.00 41.12 43.54 3b78 n ASP 622 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 3b78 n TYR 623 N -2.17 0.00 -3.22 1.24 4.01 -1.02 -5.01 117.16 110.98 3b78 n TYR 623 Ca -0.07 -0.58 -0.23 0.00 -0.16 0.00 0.00 57.90 56.85 3b78 n TYR 623 Cb 0.54 -0.10 0.03 0.00 -0.31 0.00 0.00 39.34 39.51 3b78 n TYR 623 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3b78 n GLY 624 N -0.81 -0.52 3.86 2.72 0.00 -1.15 -4.90 105.19 104.38 3b78 n GLY 624 Ca 0.08 0.15 -0.33 0.00 0.00 0.00 0.00 46.02 45.92 3b78 n GLY 624 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3b78 s TRP 625 N -3.16 3.49 -0.12 1.61 0.52 -0.75 -4.99 118.94 115.54 3b78 s TRP 625 Ca 0.39 0.95 -0.29 0.00 0.02 0.00 0.00 56.10 57.16 3b78 s TRP 625 Cb -0.18 -2.30 -0.04 0.00 -1.15 0.00 0.00 33.47 29.80 3b78 s TRP 625 CO 0.48 0.33 1.52 -0.51 0.02 0.00 0.00 176.95 178.79 3b78 s ASP 626 N -2.11 6.71 0.56 2.95 -0.00 -1.26 -4.21 116.67 119.31 3b78 s ASP 626 Ca 0.44 1.95 0.25 0.00 -0.00 0.00 0.00 52.55 55.19 3b78 s ASP 626 Cb -0.13 -2.53 1.57 0.00 -0.00 0.00 0.00 42.92 41.83 3b78 s ASP 626 CO 0.20 -0.93 2.16 1.62 -0.00 0.00 0.00 175.17 178.23 3b78 h VAL 627 N 5.65 0.68 -0.47 -1.27 3.04 -1.94 0.13 116.25 122.07 3b78 h VAL 627 Ca -0.34 0.00 -0.10 0.00 -1.01 0.00 0.00 66.70 65.25 3b78 h VAL 627 Cb 1.15 0.94 -0.02 0.00 -2.01 0.00 0.00 31.29 31.35 3b78 h VAL 627 CO 0.97 0.00 -0.12 0.71 -1.01 0.00 0.00 177.57 178.12 3b78 h THR 628 N 0.00 1.26 0.19 3.17 1.35 -1.97 -1.59 112.91 115.33 3b78 h THR 628 Ca 0.04 -1.22 -0.01 0.00 -0.55 0.00 0.00 66.41 64.67 3b78 h THR 628 Cb 0.21 1.03 0.00 0.00 -1.73 0.00 0.00 68.15 67.66 3b78 h THR 628 CO -0.00 0.42 -0.09 0.44 -0.25 0.00 0.00 175.52 176.04 3b78 h ASP 629 N 0.77 -0.22 -0.38 5.36 3.32 -1.19 -3.21 116.42 120.87 3b78 h ASP 629 Ca 0.12 -0.30 0.08 0.00 0.02 0.00 0.00 57.03 56.96 3b78 h ASP 629 Cb 0.63 0.06 -0.02 0.00 0.22 0.00 0.00 39.33 40.22 3b78 h ASP 629 CO 0.04 0.24 0.27 0.00 -1.72 0.00 0.00 179.24 178.07 3b78 h ALA 630 N -0.13 2.16 0.00 3.45 0.00 -1.26 0.14 119.26 123.63 3b78 h ALA 630 Ca -0.03 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3b78 h ALA 630 Cb 0.51 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.28 3b78 h ALA 630 CO 0.04 -0.26 0.00 -0.09 0.00 0.00 0.00 179.25 178.95 3b78 h ARG 631 N 0.15 0.00 -0.53 0.00 9.65 -1.31 -3.18 114.38 119.17 3b78 h ARG 631 Ca 0.18 0.00 -0.34 0.00 -1.10 0.00 0.00 59.98 58.71 3b78 h ARG 631 Cb 0.51 0.00 -0.22 0.00 -1.39 0.00 0.00 29.97 28.87 3b78 h ARG 631 CO -0.02 0.00 -0.22 1.63 2.80 0.00 0.00 179.97 184.15 3b78 n LYS 632 N -2.68 2.46 -2.31 0.20 5.02 0.49 -4.97 118.16 116.37 3b78 n LYS 632 Ca 0.02 -3.52 -0.42 0.00 -2.02 0.00 0.00 58.31 52.37 3b78 n LYS 632 Cb 0.28 -2.00 -0.03 0.00 -0.02 0.00 0.00 35.03 33.26 3b78 n LYS 632 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3b78 s ILE 633 N -3.87 3.70 -0.16 -0.18 1.01 -1.20 -1.37 121.20 119.13 3b78 s ILE 633 Ca 0.49 1.23 0.06 0.00 0.00 0.00 0.00 60.65 62.42 3b78 s ILE 633 Cb 0.42 -3.79 -0.23 0.00 0.01 0.00 0.00 42.46 38.88 3b78 s ILE 633 CO 0.00 0.10 0.19 0.79 0.00 0.00 0.00 174.94 176.03 3b78 n TRP 634 N 3.85 0.56 -3.64 3.97 7.02 0.86 -4.95 117.44 125.10 3b78 n TRP 634 Ca 0.10 0.15 -0.01 0.00 -1.02 0.00 0.00 57.50 56.72 3b78 n TRP 634 Cb 0.45 -1.08 -0.01 0.00 -2.42 0.00 0.00 31.31 28.24 3b78 n TRP 634 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 3b78 s PHE 636 N -2.68 2.76 -0.08 0.00 0.08 -1.26 -2.51 117.98 114.29 3b78 s PHE 636 Ca 0.12 -0.39 -0.30 0.00 0.12 0.00 0.00 56.93 56.48 3b78 s PHE 636 Cb 0.02 -1.80 0.11 0.00 -0.57 0.00 0.00 43.02 40.78 3b78 s PHE 636 CO -0.03 0.21 0.88 0.20 -0.10 0.00 0.00 175.22 176.38 3b78 s GLY 637 N -3.94 -0.40 0.72 4.36 0.00 -0.60 -3.63 107.32 103.82 3b78 s GLY 637 Ca 0.41 1.56 -0.11 0.00 0.00 0.00 0.00 44.72 46.58 3b78 s GLY 637 CO 0.25 0.81 0.98 -1.05 0.00 0.00 0.00 173.10 174.09 3b78 n PRO 638 N 0.50 -0.85 -1.29 2.90 -0.02 -1.26 -2.44 135.00 132.53 3b78 n PRO 638 Ca -0.12 -1.62 -0.10 0.00 -2.02 0.00 0.00 63.50 59.63 3b78 n PRO 638 Cb 0.59 -0.97 -0.04 0.00 -0.02 0.00 0.00 33.50 33.05 3b78 n PRO 638 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3b78 n ASP 639 N -3.56 -5.63 -0.04 2.55 8.00 -1.26 -1.45 116.55 115.15 3b78 n ASP 639 Ca 0.13 0.26 -0.01 0.00 0.71 0.00 0.00 54.79 55.88 3b78 n ASP 639 Cb 0.44 -4.12 -0.00 0.00 -0.02 0.00 0.00 41.12 37.42 3b78 n ASP 639 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3b78 n GLY 640 N 0.29 0.42 0.06 0.44 0.00 -1.24 -4.76 105.19 100.39 3b78 n GLY 640 Ca -0.10 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.82 3b78 n GLY 640 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3b78 n ASN 641 N -0.09 0.00 -4.77 1.61 0.23 -0.92 -4.33 115.26 106.99 3b78 n ASN 641 Ca -0.01 -1.04 -0.29 0.00 -0.53 0.00 0.00 54.58 52.72 3b78 n ASN 641 Cb 0.13 -0.01 0.13 0.00 -2.08 0.00 0.00 39.78 37.96 3b78 n ASN 641 CO 0.00 0.00 0.00 -0.83 -0.93 0.00 0.00 177.26 175.50 3b78 s GLY 642 N -0.04 1.58 0.00 4.83 0.00 -0.53 -4.80 107.32 108.37 3b78 s GLY 642 Ca 0.00 -0.56 -0.05 0.00 0.00 0.00 0.00 44.72 44.11 3b78 s GLY 642 CO 0.00 0.00 3.30 -1.55 0.00 0.00 0.00 173.10 174.85 3b78 n PRO 643 N -3.74 1.79 -3.85 2.90 -0.04 -1.21 -3.37 135.00 127.48 3b78 n PRO 643 Ca 0.07 -0.86 -0.12 0.00 -0.04 0.00 0.00 63.50 62.55 3b78 n PRO 643 Cb 0.59 -1.89 -0.14 0.00 -0.04 0.00 0.00 33.50 32.02 3b78 n PRO 643 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 3b78 s ASN 644 N 2.06 0.01 0.06 3.54 0.01 -1.02 -0.94 114.94 118.65 3b78 s ASN 644 Ca 0.57 0.01 0.07 0.00 -0.71 0.00 0.00 52.86 52.81 3b78 s ASN 644 Cb 0.27 -0.00 -0.03 0.00 0.41 0.00 0.00 41.25 41.90 3b78 s ASN 644 CO 0.00 -0.02 -0.20 -0.76 -1.51 0.00 0.00 177.10 174.61 3b78 s LEU 645 N 0.17 2.21 -0.21 0.60 1.43 -0.69 -1.56 118.68 120.63 3b78 s LEU 645 Ca -0.01 -0.57 -0.03 0.00 -1.03 0.00 0.00 54.13 52.49 3b78 s LEU 645 Cb -0.02 -0.89 -0.00 0.00 0.03 0.00 0.00 46.19 45.31 3b78 s LEU 645 CO -0.00 0.11 -0.07 -0.69 0.23 0.00 0.00 176.35 175.92 3b78 s VAL 646 N -0.93 3.16 -0.14 -1.59 1.01 -1.05 -0.55 120.40 120.31 3b78 s VAL 646 Ca 0.06 -0.57 -0.03 0.00 0.00 0.00 0.00 61.98 61.44 3b78 s VAL 646 Cb -0.09 -2.42 -0.03 0.00 0.00 0.00 0.00 36.38 33.84 3b78 s VAL 646 CO 0.02 0.45 -0.05 -0.63 0.00 0.00 0.00 175.10 174.89 3b78 s ILE 647 N 1.37 3.80 -0.49 2.22 -1.09 0.54 -0.10 121.20 127.45 3b78 s ILE 647 Ca 0.05 -0.40 -0.26 0.00 -2.23 0.00 0.00 60.65 57.81 3b78 s ILE 647 Cb -0.14 -2.65 0.03 0.00 -1.58 0.00 0.00 42.46 38.12 3b78 s ILE 647 CO -0.04 0.51 0.97 -0.62 -1.23 0.00 0.00 174.94 174.52 3b78 s ASP 648 N 0.20 6.47 -0.15 3.58 2.15 -0.47 -1.45 116.67 127.00 3b78 s ASP 648 Ca -0.03 0.05 0.18 0.00 0.43 0.00 0.00 52.55 53.18 3b78 s ASP 648 Cb -0.14 -2.46 0.34 0.00 -0.30 0.00 0.00 42.92 40.36 3b78 s ASP 648 CO 0.03 -1.14 1.21 0.00 -0.17 0.00 0.00 175.17 175.10 3b78 n GLN 649 N 7.38 1.60 -2.27 4.34 6.02 -0.34 -4.89 117.38 129.22 3b78 n GLN 649 Ca 0.06 -2.68 -0.32 0.00 -0.01 0.00 0.00 57.00 54.06 3b78 n GLN 649 Cb 0.48 -1.57 -0.02 0.00 1.02 0.00 0.00 30.24 30.15 3b78 n GLN 649 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 3b78 s THR 650 N -2.90 4.62 -0.20 5.09 -4.23 -1.08 -4.67 115.64 112.27 3b78 s THR 650 Ca 0.34 1.04 -0.01 0.00 -1.18 0.00 0.00 61.69 61.89 3b78 s THR 650 Cb 0.30 -3.77 0.01 0.00 1.34 0.00 0.00 72.50 70.37 3b78 s THR 650 CO 0.03 -0.83 -0.12 -0.54 -0.54 0.00 0.00 174.62 172.62 3b78 s LYS 651 N -4.42 3.14 -0.90 3.99 -0.14 -1.26 -4.85 119.74 115.30 3b78 s LYS 651 Ca 0.57 -0.75 -0.07 0.00 -1.36 0.00 0.00 55.97 54.35 3b78 s LYS 651 Cb -0.10 -2.79 0.00 0.00 -1.68 0.00 0.00 37.83 33.26 3b78 s LYS 651 CO 0.39 -0.22 0.66 0.00 -0.76 0.00 0.00 175.35 175.42 3b78 n ALA 652 N 4.70 -2.69 -3.42 5.17 0.00 -1.26 -4.95 120.51 118.06 3b78 n ALA 652 Ca -0.19 -0.25 -0.37 0.00 0.00 0.00 0.00 53.44 52.63 3b78 n ALA 652 Cb 0.50 -1.60 -0.13 0.00 0.00 0.00 0.00 19.45 18.23 3b78 n ALA 652 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3b78 s VAL 653 N -3.12 3.52 0.37 0.00 1.01 -1.26 -5.09 120.40 115.83 3b78 s VAL 653 Ca 0.13 -1.32 -0.27 0.00 0.00 0.00 0.00 61.98 60.51 3b78 s VAL 653 Cb -0.06 -3.06 -0.09 0.00 0.00 0.00 0.00 36.38 33.17 3b78 s VAL 653 CO 0.87 -0.23 1.31 -1.58 0.00 0.00 0.00 175.10 175.46 3b78 s GLN 654 N 1.33 4.13 0.00 2.72 0.74 -1.26 -2.59 119.66 124.73 3b78 s GLN 654 Ca -0.01 2.18 0.00 0.00 0.05 0.00 0.00 55.36 57.58 3b78 s GLN 654 Cb -0.20 -2.89 0.00 0.00 1.10 0.00 0.00 33.01 31.02 3b78 s GLN 654 CO 0.01 -0.36 0.00 0.66 -0.55 0.00 0.00 175.29 175.04 3b78 n TYR 655 N 0.41 0.00 -0.21 1.67 4.01 -1.26 -4.85 117.16 116.93 3b78 n TYR 655 Ca 0.02 0.00 0.01 0.00 -0.16 0.00 0.00 57.90 57.77 3b78 n TYR 655 Cb 0.43 -0.45 0.12 0.00 -0.31 0.00 0.00 39.34 39.13 3b78 n TYR 655 CO 0.00 0.00 0.00 1.25 -0.46 0.00 0.00 176.86 177.65 3b78 h LEU 656 N 0.00 0.17 -2.33 7.72 5.85 -1.94 0.87 115.31 125.64 3b78 h LEU 656 Ca 0.00 0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.81 3b78 h LEU 656 Cb 0.07 0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.19 3b78 h LEU 656 CO 0.00 0.09 0.00 1.12 -0.34 0.00 0.00 178.44 179.31 3b78 h HIS 657 N 0.37 0.00 0.00 1.25 2.07 -1.90 -1.90 115.15 115.03 3b78 h HIS 657 Ca 0.33 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.85 3b78 h HIS 657 Cb 0.45 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.43 3b78 h HIS 657 CO -0.19 0.00 -0.16 0.93 -3.07 0.00 0.00 177.93 175.44 3b78 h GLU 658 N 0.00 0.00 -0.42 5.12 5.08 -1.22 -3.14 114.58 120.00 3b78 h GLU 658 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3b78 h GLU 658 Cb 0.04 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.29 3b78 h GLU 658 CO 0.00 0.00 0.00 0.44 -1.00 0.00 0.00 179.01 178.45 3b78 n ILE 659 N -2.57 1.18 -0.07 3.13 -5.35 -0.72 -4.66 119.36 110.30 3b78 n ILE 659 Ca 0.04 -1.10 -0.11 0.00 -0.27 0.00 0.00 62.75 61.32 3b78 n ILE 659 Cb 0.48 0.40 -0.04 0.00 -1.74 0.00 0.00 39.64 38.74 3b78 n ILE 659 CO 0.00 0.00 0.00 0.50 -1.76 0.00 0.00 176.55 175.29 3b78 h LYS 660 N 2.47 0.35 -0.49 6.28 3.64 -1.53 -1.32 116.57 125.97 3b78 h LYS 660 Ca 0.00 -0.07 -0.01 0.00 -1.27 0.00 0.00 60.65 59.30 3b78 h LYS 660 Cb 0.89 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.63 3b78 h LYS 660 CO 0.04 0.41 0.25 -0.44 -2.27 0.00 0.00 179.45 177.44 3b78 h ASP 661 N 0.21 0.61 -0.09 4.20 3.32 -1.83 -0.27 116.42 122.57 3b78 h ASP 661 Ca 0.08 -0.05 -0.04 0.00 0.02 0.00 0.00 57.03 57.04 3b78 h ASP 661 Cb 0.20 -0.15 -0.00 0.00 0.22 0.00 0.00 39.33 39.59 3b78 h ASP 661 CO -0.00 0.51 -0.10 0.28 -1.72 0.00 0.00 179.24 178.20 3b78 h SER 662 N 0.69 0.24 -0.46 6.45 0.02 -1.83 -1.56 113.55 117.09 3b78 h SER 662 Ca 0.17 -0.50 0.05 0.00 -0.84 0.00 0.00 61.79 60.67 3b78 h SER 662 Cb 0.05 -0.07 -0.04 0.00 0.14 0.00 0.00 62.40 62.48 3b78 h SER 662 CO -0.03 0.69 0.21 0.58 -1.14 0.00 0.00 176.83 177.14 3b78 h VAL 663 N -0.20 0.93 -0.66 2.27 2.07 -0.87 -0.33 116.25 119.45 3b78 h VAL 663 Ca 0.01 -0.14 -0.03 0.00 0.82 0.00 0.00 66.70 67.35 3b78 h VAL 663 Cb 0.63 0.47 -0.03 0.00 -1.52 0.00 0.00 31.29 30.84 3b78 h VAL 663 CO 0.02 0.08 0.28 0.58 0.02 0.00 0.00 177.57 178.55 3b78 h VAL 664 N 0.42 1.24 -0.38 2.57 2.07 -1.08 -1.75 116.25 119.34 3b78 h VAL 664 Ca 0.21 -0.72 -0.05 0.00 0.82 0.00 0.00 66.70 66.96 3b78 h VAL 664 Cb 0.15 0.48 -0.02 0.00 -1.52 0.00 0.00 31.29 30.38 3b78 h VAL 664 CO -0.17 0.29 0.03 0.00 0.02 0.00 0.00 177.57 177.73 3b78 h ALA 665 N 1.12 1.33 -0.30 1.67 0.00 -0.79 -1.96 119.26 120.34 3b78 h ALA 665 Ca 0.22 -0.20 -0.15 0.00 0.00 0.00 0.00 54.91 54.78 3b78 h ALA 665 Cb 0.19 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 3b78 h ALA 665 CO -0.02 0.46 -0.41 0.00 0.00 0.00 0.00 179.25 179.28 3b78 h ALA 666 N 1.46 0.72 -0.44 0.00 0.00 -0.70 -2.95 119.26 117.36 3b78 h ALA 666 Ca 0.12 -0.45 -0.07 0.00 0.00 0.00 0.00 54.91 54.51 3b78 h ALA 666 Cb 0.32 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 3b78 h ALA 666 CO 0.01 0.66 -0.00 0.35 0.00 0.00 0.00 179.25 180.27 3b78 h PHE 667 N 0.59 0.84 -0.94 0.00 3.57 -0.89 0.12 116.94 120.23 3b78 h PHE 667 Ca 0.05 -0.15 0.10 0.00 3.53 0.00 0.00 57.97 61.50 3b78 h PHE 667 Cb 0.95 -0.22 -0.07 0.00 2.79 0.00 0.00 35.95 39.40 3b78 h PHE 667 CO 0.05 0.83 0.60 1.96 -2.23 0.00 0.00 178.31 179.52 3b78 h GLN 668 N 0.61 0.93 -0.02 1.11 1.08 -1.36 0.01 115.11 117.48 3b78 h GLN 668 Ca 0.12 -0.06 -0.12 0.00 -1.45 0.00 0.00 58.65 57.15 3b78 h GLN 668 Cb 0.50 -0.21 0.01 0.00 -0.05 0.00 0.00 27.48 27.72 3b78 h GLN 668 CO 0.02 0.62 -0.46 2.35 -0.95 0.00 0.00 178.83 180.41 3b78 h TRP 669 N 0.96 0.49 -0.23 2.96 7.01 -1.28 -2.60 115.95 123.27 3b78 h TRP 669 Ca 0.44 -0.26 -0.01 0.00 2.11 0.00 0.00 58.89 61.18 3b78 h TRP 669 Cb 0.39 -0.06 -0.01 0.00 -2.10 0.00 0.00 29.16 27.38 3b78 h TRP 669 CO -0.00 1.06 0.12 0.00 -2.79 0.00 0.00 178.44 176.83 3b78 h ALA 670 N 0.32 0.29 0.00 2.65 0.00 -0.44 -2.82 119.26 119.27 3b78 h ALA 670 Ca -0.05 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.75 3b78 h ALA 670 Cb 1.17 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 3b78 h ALA 670 CO 0.09 -0.17 -0.18 1.79 0.00 0.00 0.00 179.25 180.78 3b78 h THR 671 N 0.25 0.43 -0.14 0.00 1.35 -1.11 -2.90 112.91 110.80 3b78 h THR 671 Ca 0.08 -1.03 -0.12 0.00 -0.55 0.00 0.00 66.41 64.78 3b78 h THR 671 Cb 0.08 1.75 -0.01 0.00 -1.73 0.00 0.00 68.15 68.24 3b78 h THR 671 CO -0.01 0.18 -0.46 0.50 -0.25 0.00 0.00 175.52 175.48 3b78 h LYS 672 N 0.00 0.34 -2.29 4.72 1.63 -1.22 0.44 116.57 120.18 3b78 h LYS 672 Ca -0.00 -0.18 -0.32 0.00 -0.85 0.00 0.00 60.65 59.29 3b78 h LYS 672 Cb 0.74 0.01 -0.34 0.00 -0.60 0.00 0.00 32.23 32.03 3b78 h LYS 672 CO 0.02 0.73 -0.63 -1.21 -3.45 0.00 0.00 179.45 174.91 3b78 s GLU 673 N -4.08 0.27 0.86 1.90 2.02 -1.10 -3.35 118.70 115.22 3b78 s GLU 673 Ca -0.05 -0.01 -0.12 0.00 0.02 0.00 0.00 54.97 54.81 3b78 s GLU 673 Cb 0.13 -0.85 0.10 0.00 0.10 0.00 0.00 34.13 33.61 3b78 s GLU 673 CO 0.79 -0.88 1.12 0.20 0.02 0.00 0.00 175.26 176.51 3b78 s GLY 674 N 2.35 1.60 0.25 -1.39 0.00 1.00 -4.72 107.32 106.41 3b78 s GLY 674 Ca 0.09 -0.40 0.25 0.00 0.00 0.00 0.00 44.72 44.66 3b78 s GLY 674 CO -0.25 0.10 1.74 -1.55 0.00 0.00 0.00 173.10 173.14 3b78 n PRO 675 N -3.59 0.23 -0.00 2.90 -0.04 -1.26 -1.99 135.00 131.24 3b78 n PRO 675 Ca 0.07 0.35 -0.12 0.00 -0.04 0.00 0.00 63.50 63.76 3b78 n PRO 675 Cb 0.58 -1.86 -0.09 0.00 -0.04 0.00 0.00 33.50 32.08 3b78 n PRO 675 CO 0.00 0.00 0.00 0.82 -0.04 0.00 0.00 175.50 176.28 3b78 h ILE 676 N 0.00 1.20 0.00 0.52 2.04 -1.93 -3.44 117.51 115.90 3b78 h ILE 676 Ca 0.00 -1.48 -0.10 0.00 1.00 0.00 0.00 64.86 64.27 3b78 h ILE 676 Cb 0.52 2.09 -0.10 0.00 -0.74 0.00 0.00 36.82 38.58 3b78 h ILE 676 CO 0.00 0.34 -0.23 2.22 0.00 0.00 0.00 178.15 180.48 3b78 n PHE 677 N -4.81 0.00 -0.18 1.37 1.16 -1.25 -4.89 117.46 108.86 3b78 n PHE 677 Ca -0.08 -0.40 0.00 0.00 -1.87 0.00 0.00 57.45 55.10 3b78 n PHE 677 Cb 0.31 0.45 0.00 0.00 -1.61 0.00 0.00 39.48 38.63 3b78 n PHE 677 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 3b78 n GLY 678 N 0.00 1.51 3.80 4.97 0.00 -0.84 -4.88 105.19 109.75 3b78 n GLY 678 Ca -0.22 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.47 3b78 n GLY 678 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3b78 s GLU 679 N -0.40 3.55 0.50 1.61 0.41 -1.26 -3.99 118.70 119.12 3b78 s GLU 679 Ca 0.00 1.27 -0.18 0.00 -0.41 0.00 0.00 54.97 55.64 3b78 s GLU 679 Cb 0.00 -2.06 -0.08 0.00 -1.78 0.00 0.00 34.13 30.21 3b78 s GLU 679 CO 0.00 -0.63 1.00 -1.83 -0.49 0.00 0.00 175.26 173.31 3b78 s GLU 680 N -3.71 3.87 0.63 1.61 -1.05 -1.21 -0.00 118.70 118.84 3b78 s GLU 680 Ca 0.65 1.13 -0.11 0.00 -0.15 0.00 0.00 54.97 56.49 3b78 s GLU 680 Cb -0.16 -2.12 -0.03 0.00 -0.44 0.00 0.00 34.13 31.38 3b78 s GLU 680 CO 0.29 -0.35 1.04 -1.64 0.95 0.00 0.00 175.26 175.55 3b78 s MET 681 N -3.66 3.45 -0.13 -4.83 -1.94 0.15 -1.78 119.30 110.56 3b78 s MET 681 Ca 0.62 0.81 -0.12 0.00 -1.71 0.00 0.00 55.69 55.30 3b78 s MET 681 Cb -0.12 -2.06 0.03 0.00 2.01 0.00 0.00 34.83 34.69 3b78 s MET 681 CO 0.25 -0.69 0.34 0.50 -0.01 0.00 0.00 175.02 175.41 3b78 s ARG 682 N -5.09 0.40 -1.46 2.03 3.52 -0.24 -4.76 118.95 113.34 3b78 s ARG 682 Ca 0.56 0.48 -0.06 0.00 -0.13 0.00 0.00 55.73 56.58 3b78 s ARG 682 Cb -0.12 0.19 0.01 0.00 -1.56 0.00 0.00 34.95 33.47 3b78 s ARG 682 CO 0.53 -0.05 0.79 0.43 -0.81 0.00 0.00 175.30 176.19 3b78 n SER 683 N 2.90 -6.14 -4.36 -2.12 7.64 -0.12 -4.35 113.62 107.08 3b78 n SER 683 Ca -0.13 -0.36 -0.35 0.00 1.01 0.00 0.00 58.87 59.04 3b78 n SER 683 Cb 0.58 -4.89 -0.14 0.00 -1.01 0.00 0.00 64.21 58.76 3b78 n SER 683 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3b78 s VAL 684 N -3.22 3.52 -0.17 0.44 1.01 -1.23 -0.56 120.40 120.19 3b78 s VAL 684 Ca 0.39 -0.45 -0.04 0.00 0.00 0.00 0.00 61.98 61.88 3b78 s VAL 684 Cb -0.17 -2.59 -0.03 0.00 0.00 0.00 0.00 36.38 33.59 3b78 s VAL 684 CO 0.48 0.44 -0.03 -0.60 0.00 0.00 0.00 175.10 175.39 3b78 s ARG 685 N 1.19 3.66 -0.19 2.72 3.52 0.11 -1.71 118.95 128.25 3b78 s ARG 685 Ca 0.02 -0.52 -0.03 0.00 -0.13 0.00 0.00 55.73 55.07 3b78 s ARG 685 Cb -0.14 -2.96 -0.01 0.00 -1.56 0.00 0.00 34.95 30.27 3b78 s ARG 685 CO -0.01 0.18 -0.06 0.08 -0.81 0.00 0.00 175.30 174.69 3b78 s VAL 686 N 0.52 3.43 -0.36 7.11 1.01 0.29 -0.88 120.40 131.52 3b78 s VAL 686 Ca -0.03 -0.50 -0.10 0.00 0.00 0.00 0.00 61.98 61.35 3b78 s VAL 686 Cb -0.14 -2.52 0.02 0.00 0.00 0.00 0.00 36.38 33.73 3b78 s VAL 686 CO 0.03 0.46 0.19 0.20 0.00 0.00 0.00 175.10 175.97 3b78 s ASN 687 N 1.01 5.67 -0.52 3.32 0.01 0.54 -0.34 114.94 124.63 3b78 s ASN 687 Ca 0.00 -0.88 -0.28 0.00 -0.71 0.00 0.00 52.86 50.99 3b78 s ASN 687 Cb -0.15 -2.01 0.02 0.00 0.41 0.00 0.00 41.25 39.52 3b78 s ASN 687 CO 0.00 -0.34 1.36 -0.63 -1.51 0.00 0.00 177.10 175.99 3b78 s ILE 688 N 1.56 3.88 0.03 0.60 1.01 -0.53 -1.38 121.20 126.38 3b78 s ILE 688 Ca 0.03 0.82 0.03 0.00 0.00 0.00 0.00 60.65 61.52 3b78 s ILE 688 Cb -0.19 -4.42 -0.25 0.00 0.01 0.00 0.00 42.46 37.61 3b78 s ILE 688 CO 0.06 -1.06 0.94 -0.07 0.00 0.00 0.00 174.94 174.82 3b78 h LEU 689 N 12.56 0.19 -7.00 2.97 3.38 -1.26 -0.84 115.31 125.32 3b78 h LEU 689 Ca -0.26 -0.27 0.01 0.00 0.09 0.00 0.00 57.88 57.44 3b78 h LEU 689 Cb 1.09 -0.06 -0.18 0.00 0.09 0.00 0.00 40.66 41.60 3b78 h LEU 689 CO 1.15 1.22 0.32 -0.62 0.09 0.00 0.00 178.44 180.60 3b78 s ASP 690 N -6.71 -0.53 -0.13 -0.43 2.15 -1.08 -4.07 116.67 105.87 3b78 s ASP 690 Ca -0.05 0.38 -0.08 0.00 0.43 0.00 0.00 52.55 53.22 3b78 s ASP 690 Cb 0.08 0.48 0.04 0.00 -0.30 0.00 0.00 42.92 43.22 3b78 s ASP 690 CO 0.84 -0.64 0.31 -0.69 -0.17 0.00 0.00 175.17 174.82 3b78 s VAL 691 N -2.06 -0.02 -0.11 1.11 1.01 -1.26 -0.69 120.40 118.38 3b78 s VAL 691 Ca -0.04 0.08 0.01 0.00 0.00 0.00 0.00 61.98 62.03 3b78 s VAL 691 Cb -0.00 -0.46 -0.02 0.00 0.00 0.00 0.00 36.38 35.90 3b78 s VAL 691 CO 0.00 0.03 -0.12 0.42 0.00 0.00 0.00 175.10 175.43 3b78 s THR 692 N 0.93 3.18 0.06 3.92 -4.23 -0.83 -4.94 115.64 113.74 3b78 s THR 692 Ca -0.06 -0.64 0.06 0.00 -1.18 0.00 0.00 61.69 59.87 3b78 s THR 692 Cb -0.07 -2.32 -0.03 0.00 1.34 0.00 0.00 72.50 71.43 3b78 s THR 692 CO -0.07 0.55 -0.17 -0.76 -0.54 0.00 0.00 174.62 173.63 3b78 s LEU 693 N -0.03 2.22 0.35 4.79 1.43 -1.26 -1.54 118.68 124.64 3b78 s LEU 693 Ca -0.03 -0.56 -0.27 0.00 -1.03 0.00 0.00 54.13 52.24 3b78 s LEU 693 Cb -0.14 -0.72 -0.09 0.00 0.03 0.00 0.00 46.19 45.26 3b78 s LEU 693 CO 0.04 0.04 1.22 -2.28 0.23 0.00 0.00 176.35 175.60 3b78 s HIS 694 N -1.01 3.14 0.25 0.29 5.65 -1.25 -4.94 115.29 117.43 3b78 s HIS 694 Ca 0.03 1.52 -0.04 0.00 0.25 0.00 0.00 55.06 56.82 3b78 s HIS 694 Cb -0.09 -3.50 0.36 0.00 -1.18 0.00 0.00 32.58 28.17 3b78 s HIS 694 CO 0.02 -1.44 1.86 0.00 -0.65 0.00 0.00 174.74 174.54 3b78 h ALA 695 N 3.15 1.27 -2.70 1.58 0.00 -1.99 -3.42 119.26 117.14 3b78 h ALA 695 Ca -0.48 -0.01 -0.55 0.00 0.00 0.00 0.00 54.91 53.86 3b78 h ALA 695 Cb 1.23 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 18.71 3b78 h ALA 695 CO 0.64 0.35 0.11 -0.51 0.00 0.00 0.00 179.25 179.84 3b78 s ASP 696 N -5.83 7.22 0.41 0.00 1.01 -1.26 -4.98 116.67 113.24 3b78 s ASP 696 Ca -0.13 1.45 0.21 0.00 0.71 0.00 0.00 52.55 54.79 3b78 s ASP 696 Cb 0.19 -2.44 0.83 0.00 1.01 0.00 0.00 42.92 42.51 3b78 s ASP 696 CO 0.80 0.15 1.80 0.00 0.21 0.00 0.00 175.17 178.13 3b78 h ALA 697 N 4.97 1.06 0.00 5.23 0.00 -2.03 -3.33 119.26 125.16 3b78 h ALA 697 Ca -0.46 -0.28 -0.00 0.00 0.00 0.00 0.00 54.91 54.16 3b78 h ALA 697 Cb 1.21 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.95 3b78 h ALA 697 CO 0.68 0.38 0.00 0.44 0.00 0.00 0.00 179.25 180.75 3b78 n ILE 698 N -3.55 1.12 -0.01 0.00 -5.35 -1.26 -3.34 119.36 106.97 3b78 n ILE 698 Ca -0.00 -0.29 0.00 0.00 -0.27 0.00 0.00 62.75 62.18 3b78 n ILE 698 Cb 0.45 -1.29 0.00 0.00 -1.74 0.00 0.00 39.64 37.06 3b78 n ILE 698 CO 0.00 0.00 0.00 -2.11 -1.76 0.00 0.00 176.55 172.68 3b78 n ARG 700 N 1.76 -0.01 -0.67 6.28 1.85 -1.25 -5.09 116.66 119.52 3b78 n ARG 700 Ca 0.01 0.00 -0.09 0.00 -1.00 0.00 0.00 57.85 56.77 3b78 n ARG 700 Cb 0.28 0.00 0.06 0.00 -1.05 0.00 0.00 32.46 31.76 3b78 n ARG 700 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3b78 n GLY 701 N -0.00 -1.06 0.36 2.89 0.00 -1.21 -4.72 105.19 101.44 3b78 n GLY 701 Ca 0.00 -1.71 0.06 0.00 0.00 0.00 0.00 46.02 44.37 3b78 n GLY 701 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3b78 h GLY 702 N -0.53 1.18 2.00 -0.02 0.00 -1.98 -1.63 103.07 102.09 3b78 h GLY 702 Ca -0.14 -0.36 -0.02 0.00 0.00 0.00 0.00 47.33 46.82 3b78 h GLY 702 CO 0.10 0.24 -0.08 -1.33 0.00 0.00 0.00 176.54 175.47 3b78 h GLY 703 N 0.88 0.00 0.16 4.60 0.00 -2.00 -1.80 103.07 104.90 3b78 h GLY 703 Ca 0.37 0.00 -0.39 0.00 0.00 0.00 0.00 47.33 47.32 3b78 h GLY 703 CO -0.14 0.00 -2.32 -1.06 0.00 0.00 0.00 176.54 173.01 3b78 n GLN 704 N -3.73 0.67 0.01 4.80 1.13 -0.70 -4.54 117.38 115.02 3b78 n GLN 704 Ca -0.02 0.20 -0.19 0.00 -1.94 0.00 0.00 57.00 55.05 3b78 n GLN 704 Cb 0.18 -1.57 -0.14 0.00 0.11 0.00 0.00 30.24 28.82 3b78 n GLN 704 CO 0.00 0.00 0.00 0.82 -1.44 0.00 0.00 177.06 176.44 3b78 h ILE 705 N -0.10 1.40 -0.26 5.09 1.08 -1.31 -3.29 117.51 120.13 3b78 h ILE 705 Ca -0.54 -2.44 0.06 0.00 -0.39 0.00 0.00 64.86 61.55 3b78 h ILE 705 Cb 1.89 3.04 -0.07 0.00 -3.07 0.00 0.00 36.82 38.62 3b78 h ILE 705 CO -0.08 0.67 -0.18 0.40 -0.69 0.00 0.00 178.15 178.27 3b78 h ILE 706 N -0.52 0.49 -0.44 -0.67 2.04 -1.55 0.20 117.51 117.07 3b78 h ILE 706 Ca -0.17 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.65 3b78 h ILE 706 Cb 1.53 0.49 -0.02 0.00 -0.74 0.00 0.00 36.82 38.08 3b78 h ILE 706 CO 0.07 0.00 0.11 -0.65 0.00 0.00 0.00 178.15 177.68 3b78 h PRO 707 N -0.17 0.65 0.01 2.37 0.11 -1.76 -1.56 132.00 131.65 3b78 h PRO 707 Ca 0.14 -0.11 -0.00 0.00 0.11 0.00 0.00 66.00 66.14 3b78 h PRO 707 Cb 0.39 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 31.39 3b78 h PRO 707 CO -0.36 0.59 -0.00 1.15 -0.21 0.00 0.00 178.00 179.16 3b78 h THR 708 N 0.63 1.13 -0.70 -1.15 2.02 -1.29 -0.35 112.91 113.19 3b78 h THR 708 Ca 0.15 -0.40 -0.05 0.00 0.77 0.00 0.00 66.41 66.87 3b78 h THR 708 Cb 0.23 1.40 -0.03 0.00 -1.74 0.00 0.00 68.15 68.01 3b78 h THR 708 CO -0.00 0.10 0.25 -0.03 0.37 0.00 0.00 175.52 176.21 3b78 h MET 709 N -0.18 1.06 -0.43 6.66 1.85 -0.93 -0.58 114.93 122.37 3b78 h MET 709 Ca -0.00 -0.20 -0.09 0.00 -0.61 0.00 0.00 59.70 58.80 3b78 h MET 709 Cb 0.18 -0.17 -0.01 0.00 0.43 0.00 0.00 31.60 32.03 3b78 h MET 709 CO 0.00 0.88 -0.10 -0.09 -0.40 0.00 0.00 176.91 177.20 3b78 h ARG 710 N 1.03 0.82 -0.14 0.39 1.12 -1.10 -0.25 114.38 116.24 3b78 h ARG 710 Ca 0.23 -0.31 -0.18 0.00 -1.11 0.00 0.00 59.98 58.61 3b78 h ARG 710 Cb 0.24 -0.05 -0.00 0.00 -0.01 0.00 0.00 29.97 30.15 3b78 h ARG 710 CO -0.01 0.93 -0.67 0.00 -3.11 0.00 0.00 179.97 177.11 3b78 h ARG 711 N 0.64 0.56 -0.54 0.20 3.08 -0.96 -2.26 114.38 115.10 3b78 h ARG 711 Ca 0.11 -0.42 -0.06 0.00 0.07 0.00 0.00 59.98 59.68 3b78 h ARG 711 Cb 0.63 0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.73 3b78 h ARG 711 CO 0.04 1.04 0.09 0.00 -1.07 0.00 0.00 179.97 180.07 3b78 h ALA 712 N 0.86 0.72 -0.77 0.04 0.00 -0.97 -0.99 119.26 118.14 3b78 h ALA 712 Ca -0.02 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.64 3b78 h ALA 712 Cb 1.25 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.80 3b78 h ALA 712 CO 0.13 0.46 0.45 1.15 0.00 0.00 0.00 179.25 181.44 3b78 h THR 713 N 0.78 1.22 -0.12 0.00 2.02 -1.03 -0.33 112.91 115.46 3b78 h THR 713 Ca 0.16 -0.50 0.01 0.00 0.77 0.00 0.00 66.41 66.85 3b78 h THR 713 Cb 0.41 0.16 -0.01 0.00 -1.74 0.00 0.00 68.15 66.97 3b78 h THR 713 CO 0.01 0.23 0.03 1.88 0.37 0.00 0.00 175.52 178.05 3b78 h TYR 714 N 1.06 0.06 -0.21 3.16 -1.99 -1.05 0.28 116.97 118.28 3b78 h TYR 714 Ca 0.27 0.01 0.01 0.00 2.00 0.00 0.00 58.73 61.02 3b78 h TYR 714 Cb -0.02 -0.01 -0.01 0.00 2.00 0.00 0.00 36.73 38.69 3b78 h TYR 714 CO -0.01 0.03 0.12 0.00 -0.00 0.00 0.00 178.16 178.30 3b78 h ALA 715 N 1.08 0.26 -0.91 3.88 0.00 -0.91 -1.07 119.26 121.58 3b78 h ALA 715 Ca 0.05 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3b78 h ALA 715 Cb 0.03 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.72 3b78 h ALA 715 CO -0.06 -0.29 0.59 0.78 0.00 0.00 0.00 179.25 180.27 3b78 h GLY 716 N 0.25 1.30 0.92 0.00 0.00 -0.89 -1.47 103.07 103.18 3b78 h GLY 716 Ca 0.08 -0.50 -0.01 0.00 0.00 0.00 0.00 47.33 46.90 3b78 h GLY 716 CO -0.04 0.49 0.09 -2.75 0.00 0.00 0.00 176.54 174.33 3b78 h PHE 717 N 1.25 0.26 0.00 5.60 3.57 -0.52 -2.65 116.94 124.45 3b78 h PHE 717 Ca 0.33 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.82 3b78 h PHE 717 Cb -0.11 -0.08 0.00 0.00 2.79 0.00 0.00 35.95 38.54 3b78 h PHE 717 CO 0.00 0.27 0.00 -0.07 -2.23 0.00 0.00 178.31 176.28 3b78 h LEU 718 N 0.18 0.00 -0.75 0.59 3.38 -0.84 -2.15 115.31 115.71 3b78 h LEU 718 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 3b78 h LEU 718 Cb 0.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.85 3b78 h LEU 718 CO -0.01 0.00 -0.24 0.18 0.09 0.00 0.00 178.44 178.46 3b78 n LEU 719 N -2.49 1.40 -1.59 1.67 4.77 -0.58 -4.36 117.00 115.82 3b78 n LEU 719 Ca 0.03 -0.43 -0.12 0.00 -0.03 0.00 0.00 56.01 55.45 3b78 n LEU 719 Cb 0.31 -0.07 0.19 0.00 -2.33 0.00 0.00 43.42 41.51 3b78 n LEU 719 CO 0.24 0.25 0.92 0.00 -1.33 0.00 0.00 177.39 177.47 3b78 n ALA 720 N -0.28 4.86 -3.12 -1.18 0.00 -0.81 -0.44 120.51 119.53 3b78 n ALA 720 Ca 0.13 -3.08 -0.05 0.00 0.00 0.00 0.00 53.44 50.44 3b78 n ALA 720 Cb 0.38 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 18.82 3b78 n ALA 720 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3b78 n ASP 721 N -1.13 -7.42 -4.79 0.00 2.03 -1.26 -2.58 116.55 101.40 3b78 n ASP 721 Ca 0.44 -0.07 -0.35 0.00 0.52 0.00 0.00 54.79 55.33 3b78 n ASP 721 Cb 1.27 -4.80 -0.03 0.00 -0.72 0.00 0.00 41.12 36.84 3b78 n ASP 721 CO 0.00 0.00 0.00 -2.84 -1.92 0.00 0.00 177.20 172.44 3b78 s PRO 722 N -3.14 3.80 0.33 -0.67 0.02 -1.26 -0.96 135.00 133.12 3b78 s PRO 722 Ca 0.05 1.46 -0.04 0.00 0.02 0.00 0.00 61.00 62.50 3b78 s PRO 722 Cb -0.01 -2.19 0.00 0.00 0.02 0.00 0.00 34.50 32.32 3b78 s PRO 722 CO 0.77 -0.45 0.49 -1.59 -0.33 0.00 0.00 177.00 175.89 3b78 s LYS 723 N -3.05 1.89 0.20 5.54 0.00 0.47 -4.55 119.74 120.23 3b78 s LYS 723 Ca 0.66 -1.69 0.10 0.00 0.00 0.00 0.00 55.97 55.04 3b78 s LYS 723 Cb -0.20 0.45 -0.04 0.00 0.00 0.00 0.00 37.83 38.04 3b78 s LYS 723 CO 0.24 -0.79 -0.18 0.96 0.00 0.00 0.00 175.35 175.58 3b78 s ILE 724 N -3.11 2.71 -0.05 3.79 -4.36 -1.26 -0.79 121.20 118.13 3b78 s ILE 724 Ca 0.29 -1.92 0.05 0.00 -0.26 0.00 0.00 60.65 58.82 3b78 s ILE 724 Cb -0.01 -2.33 -0.02 0.00 1.25 0.00 0.00 42.46 41.35 3b78 s ILE 724 CO 0.19 -0.14 -0.20 -1.10 0.24 0.00 0.00 174.94 173.92 3b78 s GLN 725 N -2.82 2.45 0.06 0.37 -0.21 0.97 -1.54 119.66 118.94 3b78 s GLN 725 Ca 0.23 -0.82 0.03 0.00 0.02 0.00 0.00 55.36 54.82 3b78 s GLN 725 Cb -0.08 -2.24 -0.04 0.00 1.00 0.00 0.00 33.01 31.65 3b78 s GLN 725 CO 0.12 0.52 0.06 -1.83 -2.12 0.00 0.00 175.29 172.05 3b78 s GLU 726 N -0.49 2.86 0.38 2.91 -1.05 0.43 -1.58 118.70 122.16 3b78 s GLU 726 Ca 0.06 -0.67 -0.25 0.00 -0.15 0.00 0.00 54.97 53.96 3b78 s GLU 726 Cb -0.11 -2.72 -0.09 0.00 -0.44 0.00 0.00 34.13 30.77 3b78 s GLU 726 CO 0.01 0.58 1.07 -2.14 0.95 0.00 0.00 175.26 175.73 3b78 s PRO 727 N -2.22 4.24 -0.07 -4.83 0.02 -1.26 -0.45 135.00 130.43 3b78 s PRO 727 Ca 0.27 1.61 0.02 0.00 0.02 0.00 0.00 61.00 62.92 3b78 s PRO 727 Cb -0.12 -2.69 0.02 0.00 0.02 0.00 0.00 34.50 31.73 3b78 s PRO 727 CO 0.19 -0.10 -0.10 0.08 -0.33 0.00 0.00 177.00 176.74 3b78 s VAL 728 N -1.52 1.03 0.41 3.83 1.01 -0.28 -1.82 120.40 123.06 3b78 s VAL 728 Ca 0.55 -0.40 -0.17 0.00 0.00 0.00 0.00 61.98 61.96 3b78 s VAL 728 Cb -0.25 -0.96 -0.09 0.00 0.00 0.00 0.00 36.38 35.07 3b78 s VAL 728 CO 0.32 0.34 0.87 -0.36 0.00 0.00 0.00 175.10 176.26 3b78 s PHE 729 N 0.81 3.38 -0.31 5.22 0.08 0.14 -0.84 117.98 126.47 3b78 s PHE 729 Ca -0.12 1.39 -0.07 0.00 0.12 0.00 0.00 56.93 58.25 3b78 s PHE 729 Cb -0.15 -2.69 0.01 0.00 -0.57 0.00 0.00 43.02 39.62 3b78 s PHE 729 CO 0.02 -0.11 0.09 -1.17 -0.10 0.00 0.00 175.22 173.95 3b78 s LEU 730 N -3.40 3.97 -0.22 -0.37 2.96 0.30 -0.78 118.68 121.12 3b78 s LEU 730 Ca 0.58 -0.78 -0.07 0.00 -0.22 0.00 0.00 54.13 53.63 3b78 s LEU 730 Cb -0.10 -1.89 -0.03 0.00 0.50 0.00 0.00 46.19 44.67 3b78 s LEU 730 CO 0.21 -0.22 0.07 -0.69 -1.32 0.00 0.00 176.35 174.40 3b78 s VAL 731 N 1.49 4.54 -0.24 1.68 1.01 0.31 -2.12 120.40 127.07 3b78 s VAL 731 Ca 0.02 -0.10 -0.06 0.00 0.00 0.00 0.00 61.98 61.83 3b78 s VAL 731 Cb -0.18 -3.09 -0.02 0.00 0.00 0.00 0.00 36.38 33.09 3b78 s VAL 731 CO 0.03 0.38 0.04 -0.70 0.00 0.00 0.00 175.10 174.84 3b78 s GLU 732 N 1.14 3.55 -0.12 2.72 2.12 0.28 -1.62 118.70 126.76 3b78 s GLU 732 Ca 0.04 -0.54 0.01 0.00 0.36 0.00 0.00 54.97 54.85 3b78 s GLU 732 Cb -0.14 -3.23 0.02 0.00 0.26 0.00 0.00 34.13 31.03 3b78 s GLU 732 CO 0.03 -0.20 -0.14 0.42 -0.54 0.00 0.00 175.26 174.83 3b78 s ILE 733 N 1.57 1.50 0.04 -3.70 1.01 0.38 -1.91 121.20 120.09 3b78 s ILE 733 Ca 0.06 -0.62 -0.23 0.00 0.00 0.00 0.00 60.65 59.86 3b78 s ILE 733 Cb -0.15 -1.39 -0.06 0.00 0.01 0.00 0.00 42.46 40.87 3b78 s ILE 733 CO 0.02 0.44 0.70 -1.10 0.00 0.00 0.00 174.94 175.00 3b78 s GLN 734 N 1.23 4.43 -0.28 2.79 1.11 -0.99 -0.24 119.66 127.71 3b78 s GLN 734 Ca -0.01 0.95 -0.21 0.00 0.01 0.00 0.00 55.36 56.10 3b78 s GLN 734 Cb -0.14 -3.35 0.11 0.00 -1.01 0.00 0.00 33.01 28.62 3b78 s GLN 734 CO -0.06 0.34 0.88 0.00 0.01 0.00 0.00 175.29 176.47 3b78 n PRO 736 N 3.11 1.64 -0.03 0.00 -0.02 -1.26 -0.36 135.00 138.08 3b78 n PRO 736 Ca -0.16 0.60 0.22 0.00 -2.02 0.00 0.00 63.50 62.14 3b78 n PRO 736 Cb 0.57 -2.44 0.71 0.00 -0.02 0.00 0.00 33.50 32.31 3b78 n PRO 736 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 3b78 h GLU 737 N 1.50 0.00 0.00 -0.52 4.81 -1.39 0.60 114.58 119.58 3b78 h GLU 737 Ca -0.49 0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 58.66 3b78 h GLU 737 Cb 1.31 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.68 3b78 h GLU 737 CO 0.57 0.00 -0.37 -0.56 -0.73 0.00 0.00 179.01 177.92 3b78 h GLN 738 N 0.00 0.00 -0.13 1.92 3.07 -1.90 -3.19 115.11 114.88 3b78 h GLN 738 Ca 0.29 0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.03 3b78 h GLN 738 Cb 1.19 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.75 3b78 h GLN 738 CO -0.00 0.37 0.00 0.00 0.09 0.00 0.00 178.83 179.29 3b78 n ALA 739 N -2.30 2.40 -0.07 0.06 0.00 0.13 -4.57 120.51 116.15 3b78 n ALA 739 Ca -0.00 -0.77 -0.01 0.00 0.00 0.00 0.00 53.44 52.65 3b78 n ALA 739 Cb 0.50 -0.46 0.26 0.00 0.00 0.00 0.00 19.45 19.75 3b78 n ALA 739 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3b78 h VAL 740 N 2.51 1.20 -0.37 0.00 2.07 -1.34 -2.66 116.25 117.67 3b78 h VAL 740 Ca 0.00 -0.71 0.04 0.00 0.82 0.00 0.00 66.70 66.85 3b78 h VAL 740 Cb 0.61 0.73 -0.02 0.00 -1.52 0.00 0.00 31.29 31.10 3b78 h VAL 740 CO 0.00 0.26 0.25 1.23 0.02 0.00 0.00 177.57 179.33 3b78 h GLY 741 N 0.88 0.38 2.00 2.17 0.00 -1.80 -1.58 103.07 105.11 3b78 h GLY 741 Ca 0.15 -0.13 -0.08 0.00 0.00 0.00 0.00 47.33 47.27 3b78 h GLY 741 CO -0.00 0.11 -0.39 -1.33 0.00 0.00 0.00 176.54 174.92 3b78 h GLY 742 N 0.32 0.00 0.91 4.60 0.00 -1.62 -2.75 103.07 104.54 3b78 h GLY 742 Ca 0.16 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.48 3b78 h GLY 742 CO -0.03 0.00 -0.03 -2.22 0.00 0.00 0.00 176.54 174.26 3b78 h ILE 743 N 0.00 1.00 -0.13 2.60 2.04 -1.37 -2.34 117.51 119.30 3b78 h ILE 743 Ca -0.00 -0.20 0.01 0.00 1.00 0.00 0.00 64.86 65.67 3b78 h ILE 743 Cb 0.71 1.13 -0.01 0.00 -0.74 0.00 0.00 36.82 37.90 3b78 h ILE 743 CO 0.05 0.05 0.09 1.88 0.00 0.00 0.00 178.15 180.22 3b78 h TYR 744 N -0.17 0.13 -0.55 1.37 0.05 -1.56 -1.38 116.97 114.86 3b78 h TYR 744 Ca -0.01 0.00 0.02 0.00 0.05 0.00 0.00 58.73 58.80 3b78 h TYR 744 Cb 0.15 -0.04 -0.03 0.00 1.01 0.00 0.00 36.73 37.81 3b78 h TYR 744 CO -0.05 0.08 0.37 1.03 -1.05 0.00 0.00 178.16 178.54 3b78 h SER 745 N 0.14 0.59 0.26 3.88 0.87 -1.12 -2.33 113.55 115.84 3b78 h SER 745 Ca 0.05 -0.01 -0.34 0.00 -1.23 0.00 0.00 61.79 60.26 3b78 h SER 745 Cb 0.04 -0.14 -0.00 0.00 -0.44 0.00 0.00 62.40 61.86 3b78 h SER 745 CO -0.01 0.41 -1.74 0.58 -0.53 0.00 0.00 176.83 175.54 3b78 h VAL 746 N 0.68 0.93 -0.27 2.23 2.07 -1.06 -3.36 116.25 117.47 3b78 h VAL 746 Ca 0.22 -2.56 -0.06 0.00 0.82 0.00 0.00 66.70 65.12 3b78 h VAL 746 Cb 0.02 2.70 -0.02 0.00 -1.52 0.00 0.00 31.29 32.48 3b78 h VAL 746 CO -0.05 0.84 -0.08 -0.07 0.02 0.00 0.00 177.57 178.22 3b78 h LEU 747 N 0.09 0.41 0.00 2.57 3.38 -1.30 -2.69 115.31 117.77 3b78 h LEU 747 Ca -0.33 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.55 3b78 h LEU 747 Cb 2.07 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 42.71 3b78 h LEU 747 CO 0.15 0.54 0.00 0.59 0.09 0.00 0.00 178.44 179.82 3b78 n ASN 748 N -4.25 0.00 -0.46 -0.43 4.13 -0.89 0.03 115.26 113.39 3b78 n ASN 748 Ca 0.01 0.43 0.04 0.00 1.68 0.00 0.00 54.58 56.74 3b78 n ASN 748 Cb 0.28 -0.47 0.09 0.00 -1.54 0.00 0.00 39.78 38.14 3b78 n ASN 748 CO 0.00 0.00 0.00 2.29 0.28 0.00 0.00 177.26 179.83 3b78 n LYS 749 N -1.47 2.01 -0.06 3.52 2.85 -1.03 -4.47 118.16 119.50 3b78 n LYS 749 Ca 0.06 -1.64 0.04 0.00 -1.05 0.00 0.00 58.31 55.72 3b78 n LYS 749 Cb 0.26 -1.20 0.06 0.00 -0.65 0.00 0.00 35.03 33.49 3b78 n LYS 749 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 3b78 n LYS 750 N 0.38 1.90 -2.44 -1.58 4.01 -0.95 -4.98 118.16 114.50 3b78 n LYS 750 Ca 0.08 -1.82 -0.18 0.00 -0.51 0.00 0.00 58.31 55.88 3b78 n LYS 750 Cb 0.34 -1.13 -0.00 0.00 -0.51 0.00 0.00 35.03 33.73 3b78 n LYS 750 CO 0.00 0.00 0.00 0.54 -1.11 0.00 0.00 177.40 176.83 3b78 n ARG 751 N -0.80 -1.92 -2.10 1.97 1.74 -1.09 -4.50 116.66 109.95 3b78 n ARG 751 Ca 0.06 0.83 -0.31 0.00 -0.77 0.00 0.00 57.85 57.67 3b78 n ARG 751 Cb 0.45 -5.32 -0.00 0.00 -1.02 0.00 0.00 32.46 26.58 3b78 n ARG 751 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 3b78 s GLY 752 N -2.32 1.71 -0.15 -0.13 0.00 0.10 -4.63 107.32 101.90 3b78 s GLY 752 Ca 0.05 -0.11 -0.04 0.00 0.00 0.00 0.00 44.72 44.61 3b78 s GLY 752 CO 0.06 0.14 0.12 1.62 0.00 0.00 0.00 173.10 175.04 3b78 s GLN 753 N -4.89 0.07 0.19 2.90 0.74 -0.69 -4.72 119.66 113.26 3b78 s GLN 753 Ca 0.54 0.11 -0.31 0.00 0.05 0.00 0.00 55.36 55.76 3b78 s GLN 753 Cb -0.11 -1.35 -0.09 0.00 1.10 0.00 0.00 33.01 32.56 3b78 s GLN 753 CO 0.48 -0.58 1.43 0.08 -0.55 0.00 0.00 175.29 176.15 3b78 s VAL 754 N 2.20 2.92 -0.23 1.34 1.01 -1.26 -0.31 120.40 126.07 3b78 s VAL 754 Ca 0.04 0.71 0.03 0.00 0.00 0.00 0.00 61.98 62.76 3b78 s VAL 754 Cb -0.15 -3.46 -0.19 0.00 0.00 0.00 0.00 36.38 32.58 3b78 s VAL 754 CO -0.09 0.08 -0.09 0.52 0.00 0.00 0.00 175.10 175.53 3b78 n VAL 755 N 3.18 1.52 -3.46 2.92 0.31 0.86 -4.90 118.33 118.76 3b78 n VAL 755 Ca 0.09 -0.62 -0.10 0.00 -0.01 0.00 0.00 64.34 63.70 3b78 n VAL 755 Cb 0.41 -1.34 -0.02 0.00 -0.91 0.00 0.00 33.84 31.98 3b78 n VAL 755 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 3b78 s SER 756 N -6.46 -0.47 -0.39 4.52 1.04 -1.02 -5.02 113.70 105.91 3b78 s SER 756 Ca -0.29 0.00 0.03 0.00 0.48 0.00 0.00 55.95 56.17 3b78 s SER 756 Cb 0.08 0.50 0.16 0.00 0.10 0.00 0.00 66.02 66.86 3b78 s SER 756 CO 0.66 -0.80 0.34 -0.70 0.98 0.00 0.00 173.24 173.72 3b78 s GLU 757 N -3.43 0.72 0.57 4.02 2.12 -1.26 -2.02 118.70 119.41 3b78 s GLU 757 Ca 0.03 -1.41 0.04 0.00 0.36 0.00 0.00 54.97 53.98 3b78 s GLU 757 Cb -0.01 -1.07 0.06 0.00 0.26 0.00 0.00 34.13 33.37 3b78 s GLU 757 CO -0.11 -1.27 0.78 -1.21 -0.54 0.00 0.00 175.26 172.91 3b78 s GLU 758 N 0.85 2.36 0.00 4.30 2.02 -1.09 -4.94 118.70 122.20 3b78 s GLU 758 Ca 0.23 -1.11 0.00 0.00 0.02 0.00 0.00 54.97 54.11 3b78 s GLU 758 Cb -0.11 -2.54 0.00 0.00 0.10 0.00 0.00 34.13 31.58 3b78 s GLU 758 CO -0.07 -0.82 0.00 0.94 0.02 0.00 0.00 175.26 175.34 3b78 n GLN 759 N -2.33 1.40 -4.94 1.61 7.27 -1.26 -1.67 117.38 117.46 3b78 n GLN 759 Ca 0.11 0.00 -0.27 0.00 0.07 0.00 0.00 57.00 56.91 3b78 n GLN 759 Cb 0.60 0.00 -0.16 0.00 2.41 0.00 0.00 30.24 33.09 3b78 n GLN 759 CO 0.00 0.00 0.00 0.50 0.07 0.00 0.00 177.06 177.63 3b78 s ARG 760 N -1.14 1.72 0.14 3.69 3.52 -1.15 -4.85 118.95 120.88 3b78 s ARG 760 Ca 0.00 -0.68 -0.18 0.00 -0.13 0.00 0.00 55.73 54.74 3b78 s ARG 760 Cb 0.00 -1.58 0.06 0.00 -1.56 0.00 0.00 34.95 31.86 3b78 s ARG 760 CO 0.00 0.36 1.11 -2.30 -0.81 0.00 0.00 175.30 173.67 3b78 n PRO 761 N 2.80 -0.24 -0.06 5.12 -0.02 -1.26 -3.66 135.00 137.68 3b78 n PRO 761 Ca -0.16 1.10 -0.11 0.00 -2.02 0.00 0.00 63.50 62.31 3b78 n PRO 761 Cb 0.53 -1.62 -0.05 0.00 -0.02 0.00 0.00 33.50 32.34 3b78 n PRO 761 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3b78 n GLY 762 N -1.26 -0.18 3.72 -1.23 0.00 -1.26 -5.04 105.19 99.94 3b78 n GLY 762 Ca 0.04 -0.07 -0.32 0.00 0.00 0.00 0.00 46.02 45.67 3b78 n GLY 762 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3b78 s THR 763 N -2.22 2.55 -0.23 2.61 -4.23 -1.24 -4.91 115.64 107.97 3b78 s THR 763 Ca -0.16 0.22 0.02 0.00 -1.18 0.00 0.00 61.69 60.58 3b78 s THR 763 Cb 0.05 -2.58 0.32 0.00 1.34 0.00 0.00 72.50 71.64 3b78 s THR 763 CO 0.24 -0.20 1.43 -0.81 -0.54 0.00 0.00 174.62 174.74 3b78 n PRO 764 N -3.37 1.63 -3.34 3.99 -0.04 -1.26 -4.30 135.00 128.32 3b78 n PRO 764 Ca 0.12 -1.44 -0.38 0.00 -0.04 0.00 0.00 63.50 61.76 3b78 n PRO 764 Cb 0.52 -1.57 -0.06 0.00 -0.04 0.00 0.00 33.50 32.34 3b78 n PRO 764 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 3b78 s LEU 765 N -1.56 4.27 0.02 1.53 2.96 -1.26 -0.93 118.68 123.70 3b78 s LEU 765 Ca 0.27 0.77 0.03 0.00 -0.22 0.00 0.00 54.13 54.98 3b78 s LEU 765 Cb 0.23 -2.66 -0.04 0.00 0.50 0.00 0.00 46.19 44.23 3b78 s LEU 765 CO 0.05 0.01 -0.03 -0.36 -1.32 0.00 0.00 176.35 174.70 3b78 s PHE 766 N 0.64 2.98 -0.31 5.38 0.40 0.52 -2.91 117.98 124.67 3b78 s PHE 766 Ca 0.25 0.01 -0.02 0.00 -0.60 0.00 0.00 56.93 56.57 3b78 s PHE 766 Cb -0.15 -1.62 0.06 0.00 0.51 0.00 0.00 43.02 41.82 3b78 s PHE 766 CO 0.09 0.43 0.01 -0.08 0.70 0.00 0.00 175.22 176.37 3b78 s THR 767 N -1.09 2.96 -0.25 0.64 -1.32 -0.67 -0.64 115.64 115.27 3b78 s THR 767 Ca 0.19 -1.46 -0.10 0.00 -1.21 0.00 0.00 61.69 59.11 3b78 s THR 767 Cb -0.11 -2.74 -0.05 0.00 -1.51 0.00 0.00 72.50 68.09 3b78 s THR 767 CO 0.10 -0.16 0.16 -0.69 -2.21 0.00 0.00 174.62 171.83 3b78 s VAL 768 N 1.23 5.28 -0.09 5.08 1.01 0.67 -2.67 120.40 130.91 3b78 s VAL 768 Ca -0.04 0.15 -0.00 0.00 0.00 0.00 0.00 61.98 62.09 3b78 s VAL 768 Cb -0.20 -3.48 -0.03 0.00 0.00 0.00 0.00 36.38 32.67 3b78 s VAL 768 CO -0.02 0.31 -0.08 -0.54 0.00 0.00 0.00 175.10 174.78 3b78 s LYS 769 N 1.33 3.01 0.15 2.72 1.02 -0.86 -0.47 119.74 126.65 3b78 s LYS 769 Ca 0.07 -0.57 -0.16 0.00 0.02 0.00 0.00 55.97 55.32 3b78 s LYS 769 Cb -0.14 -2.65 0.03 0.00 -0.52 0.00 0.00 37.83 34.55 3b78 s LYS 769 CO 0.07 0.51 0.44 0.00 -0.92 0.00 0.00 175.35 175.45 3b78 s ALA 770 N -0.39 -0.91 -0.06 5.17 0.00 -0.64 -0.10 121.76 124.84 3b78 s ALA 770 Ca 0.05 -0.13 -0.16 0.00 0.00 0.00 0.00 51.96 51.73 3b78 s ALA 770 Cb -0.12 0.76 -0.05 0.00 0.00 0.00 0.00 23.12 23.71 3b78 s ALA 770 CO 0.02 -0.70 0.41 0.71 0.00 0.00 0.00 175.76 176.20 3b78 s TYR 771 N -3.83 3.63 -0.13 0.00 4.12 0.58 -0.53 117.35 121.19 3b78 s TYR 771 Ca 0.06 0.91 -0.02 0.00 0.02 0.00 0.00 57.07 58.03 3b78 s TYR 771 Cb 0.01 -2.37 0.04 0.00 -1.52 0.00 0.00 41.96 38.13 3b78 s TYR 771 CO -0.09 0.46 0.02 -1.17 0.02 0.00 0.00 175.55 174.80 3b78 s LEU 772 N -0.39 0.80 0.22 -1.29 2.96 0.04 -1.70 118.68 119.31 3b78 s LEU 772 Ca 0.23 -0.43 -0.32 0.00 -0.22 0.00 0.00 54.13 53.40 3b78 s LEU 772 Cb -0.16 -0.48 -0.14 0.00 0.50 0.00 0.00 46.19 45.92 3b78 s LEU 772 CO 0.11 -0.25 1.44 -2.65 -1.32 0.00 0.00 176.35 173.68 3b78 n PRO 773 N 5.12 2.03 0.10 0.98 -0.02 -1.26 0.24 135.00 142.19 3b78 n PRO 773 Ca -0.08 0.72 0.04 0.00 -2.02 0.00 0.00 63.50 62.17 3b78 n PRO 773 Cb 0.49 -2.40 0.46 0.00 -0.02 0.00 0.00 33.50 32.02 3b78 n PRO 773 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 3b78 h VAL 774 N 3.17 1.11 0.00 -1.45 2.07 -1.71 -0.44 116.25 118.99 3b78 h VAL 774 Ca -0.45 -0.39 0.00 0.00 0.82 0.00 0.00 66.70 66.68 3b78 h VAL 774 Cb 1.27 0.89 0.00 0.00 -1.52 0.00 0.00 31.29 31.94 3b78 h VAL 774 CO 0.78 0.14 0.00 -0.46 0.02 0.00 0.00 177.57 178.05 3b78 n ASN 775 N -4.41 0.00 0.00 0.57 0.23 -1.26 -2.45 115.26 107.94 3b78 n ASN 775 Ca 0.00 -1.68 0.00 0.00 -0.53 0.00 0.00 54.58 52.37 3b78 n ASN 775 Cb 0.15 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.85 3b78 n ASN 775 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 3b78 n GLU 776 N -0.63 0.15 -0.00 -3.83 -0.58 -0.19 -4.73 120.64 110.82 3b78 n GLU 776 Ca 0.06 -0.71 0.13 0.00 -0.42 0.00 0.00 57.16 56.23 3b78 n GLU 776 Cb 0.03 -0.94 0.42 0.00 -0.57 0.00 0.00 31.44 30.38 3b78 n GLU 776 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 3b78 n SER 777 N -0.13 1.86 -4.65 1.62 3.41 -1.03 -4.73 113.62 109.97 3b78 n SER 777 Ca 0.00 -1.62 -0.43 0.00 -0.26 0.00 0.00 58.87 56.56 3b78 n SER 777 Cb 0.11 -0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.03 3b78 n SER 777 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 3b78 s PHE 778 N -2.00 2.80 -0.25 7.33 0.08 -1.26 -2.49 117.98 122.20 3b78 s PHE 778 Ca 0.36 0.97 0.00 0.00 0.12 0.00 0.00 56.93 58.38 3b78 s PHE 778 Cb 0.21 -3.58 0.00 0.00 -0.57 0.00 0.00 43.02 39.08 3b78 s PHE 778 CO 0.33 -1.73 0.00 0.41 -0.10 0.00 0.00 175.22 174.12 3b78 n GLY 779 N 3.75 0.57 0.14 4.36 0.00 -1.26 -4.94 105.19 107.81 3b78 n GLY 779 Ca 0.14 -0.54 -0.12 0.00 0.00 0.00 0.00 46.02 45.50 3b78 n GLY 779 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3b78 h PHE 780 N 0.00 0.43 -0.49 1.61 3.57 -1.77 -2.02 116.94 118.26 3b78 h PHE 780 Ca -0.05 -0.09 0.07 0.00 3.53 0.00 0.00 57.97 61.43 3b78 h PHE 780 Cb 0.23 -0.11 -0.06 0.00 2.79 0.00 0.00 35.95 38.80 3b78 h PHE 780 CO 0.11 0.62 0.17 1.15 -2.23 0.00 0.00 178.31 178.12 3b78 h THR 781 N 0.11 0.82 -0.66 4.41 2.02 -1.92 0.19 112.91 117.87 3b78 h THR 781 Ca 0.05 -0.11 -0.08 0.00 0.77 0.00 0.00 66.41 67.04 3b78 h THR 781 Cb 0.47 0.45 -0.03 0.00 -1.74 0.00 0.00 68.15 67.31 3b78 h THR 781 CO 0.02 0.06 0.11 1.23 0.37 0.00 0.00 175.52 177.30 3b78 h GLY 782 N 0.33 1.18 2.00 2.16 0.00 -1.96 -2.70 103.07 104.08 3b78 h GLY 782 Ca 0.24 -0.78 -0.07 0.00 0.00 0.00 0.00 47.33 46.72 3b78 h GLY 782 CO -0.25 0.72 -0.34 -2.09 0.00 0.00 0.00 176.54 174.58 3b78 h GLU 783 N 1.02 0.00 -0.00 4.80 4.81 -0.83 -3.19 114.58 121.19 3b78 h GLU 783 Ca 0.20 0.00 -0.19 0.00 -0.13 0.00 0.00 59.36 59.24 3b78 h GLU 783 Cb 0.44 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.81 3b78 h GLU 783 CO 0.01 0.34 -0.84 1.25 -0.73 0.00 0.00 179.01 179.04 3b78 h LEU 784 N 0.00 0.24 0.00 1.64 5.85 -0.33 -3.16 115.31 119.55 3b78 h LEU 784 Ca -0.00 -0.19 0.00 0.00 0.84 0.00 0.00 57.88 58.53 3b78 h LEU 784 Cb 0.96 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.92 3b78 h LEU 784 CO 0.04 0.98 -0.07 -2.11 -0.34 0.00 0.00 178.44 176.94 3b78 n ARG 785 N -3.68 0.07 0.13 1.25 1.85 -1.08 -2.44 116.66 112.76 3b78 n ARG 785 Ca -0.03 0.05 -0.24 0.00 -1.00 0.00 0.00 57.85 56.63 3b78 n ARG 785 Cb 0.78 -1.58 -0.16 0.00 -1.05 0.00 0.00 32.46 30.46 3b78 n ARG 785 CO 0.00 0.00 0.00 1.96 -0.01 0.00 0.00 177.63 179.58 3b78 h GLN 786 N 0.00 0.50 0.00 2.89 7.50 -1.59 0.17 115.11 124.58 3b78 h GLN 786 Ca 0.00 -0.86 0.00 0.00 0.50 0.00 0.00 58.65 58.29 3b78 h GLN 786 Cb 0.56 0.32 0.00 0.00 0.05 0.00 0.00 27.48 28.41 3b78 h GLN 786 CO 0.00 1.41 0.00 0.00 -1.50 0.00 0.00 178.83 178.74 3b78 h ALA 787 N 0.17 1.00 -0.01 3.87 0.00 -1.52 -3.24 119.26 119.54 3b78 h ALA 787 Ca -0.27 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.64 3b78 h ALA 787 Cb 2.15 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.94 3b78 h ALA 787 CO 0.25 0.00 0.00 0.25 0.00 0.00 0.00 179.25 179.75 3b78 n THR 788 N -2.84 0.47 -0.92 0.00 -2.24 -1.02 -4.10 114.28 103.62 3b78 n THR 788 Ca 0.04 -0.73 0.00 0.00 -2.27 0.00 0.00 64.05 61.08 3b78 n THR 788 Cb 0.45 0.77 0.00 0.00 -2.10 0.00 0.00 70.33 69.45 3b78 n THR 788 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3b78 n GLY 789 N -0.20 0.24 0.42 3.38 0.00 -0.31 -2.03 105.19 106.68 3b78 n GLY 789 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3b78 n GLY 789 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3b78 n GLY 790 N -0.89 0.88 0.07 -0.02 0.00 0.43 -4.94 105.19 100.72 3b78 n GLY 790 Ca 0.00 -0.15 0.12 0.00 0.00 0.00 0.00 46.02 45.99 3b78 n GLY 790 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3b78 n GLN 791 N -2.21 0.41 -2.76 1.61 6.02 -0.86 -4.62 117.38 114.97 3b78 n GLN 791 Ca 0.00 0.05 -0.38 0.00 -0.01 0.00 0.00 57.00 56.66 3b78 n GLN 791 Cb 0.00 -1.69 -0.06 0.00 1.02 0.00 0.00 30.24 29.51 3b78 n GLN 791 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3b78 s ALA 792 N -3.26 3.26 -0.44 -1.58 0.00 -1.26 -4.59 121.76 113.88 3b78 s ALA 792 Ca 0.02 0.57 0.04 0.00 0.00 0.00 0.00 51.96 52.59 3b78 s ALA 792 Cb 0.12 -3.20 0.12 0.00 0.00 0.00 0.00 23.12 20.16 3b78 s ALA 792 CO 0.78 0.17 0.17 0.12 0.00 0.00 0.00 175.76 177.00 3b78 s PHE 793 N -1.45 3.46 0.62 0.00 5.36 0.51 -4.97 117.98 121.51 3b78 s PHE 793 Ca 0.47 -3.08 -0.15 0.00 -0.96 0.00 0.00 56.93 53.21 3b78 s PHE 793 Cb -0.22 -2.89 -0.02 0.00 -0.34 0.00 0.00 43.02 39.56 3b78 s PHE 793 CO 0.27 -0.84 1.07 -2.14 -1.46 0.00 0.00 175.22 172.12 3b78 s PRO 794 N 0.28 3.14 -0.30 10.12 0.02 -1.26 -2.34 135.00 144.66 3b78 s PRO 794 Ca 0.14 1.21 -0.10 0.00 0.02 0.00 0.00 61.00 62.27 3b78 s PRO 794 Cb -0.23 -2.01 0.18 0.00 0.02 0.00 0.00 34.50 32.47 3b78 s PRO 794 CO -0.04 -0.95 0.96 -1.14 -0.33 0.00 0.00 177.00 175.50 3b78 s GLN 795 N -4.21 0.25 0.01 5.54 0.74 -0.80 -4.59 119.66 116.59 3b78 s GLN 795 Ca 0.64 0.41 0.02 0.00 0.05 0.00 0.00 55.36 56.48 3b78 s GLN 795 Cb -0.17 0.22 -0.01 0.00 1.10 0.00 0.00 33.01 34.16 3b78 s GLN 795 CO 0.40 -0.32 -0.08 0.00 -0.55 0.00 0.00 175.29 174.75 3b78 s MET 796 N 2.93 0.61 0.15 1.67 0.23 -1.26 0.99 119.30 124.63 3b78 s MET 796 Ca 0.07 -0.38 0.04 0.00 -1.03 0.00 0.00 55.69 54.38 3b78 s MET 796 Cb -0.10 -0.56 -0.04 0.00 -1.53 0.00 0.00 34.83 32.60 3b78 s MET 796 CO -0.15 0.15 -0.08 0.14 -2.03 0.00 0.00 175.02 173.04 3b78 s VAL 797 N -0.42 1.10 0.23 5.16 -7.23 -0.90 -4.90 120.40 113.44 3b78 s VAL 797 Ca 0.01 -2.05 -0.31 0.00 -1.81 0.00 0.00 61.98 57.82 3b78 s VAL 797 Cb -0.04 -1.90 -0.11 0.00 0.56 0.00 0.00 36.38 34.89 3b78 s VAL 797 CO -0.00 -0.70 1.57 0.12 -0.31 0.00 0.00 175.10 175.78 3b78 s PHE 798 N -3.37 2.94 -0.00 2.82 5.36 -1.26 -0.54 117.98 123.92 3b78 s PHE 798 Ca 0.18 0.72 -0.01 0.00 -0.96 0.00 0.00 56.93 56.86 3b78 s PHE 798 Cb 0.03 -3.98 -0.00 0.00 -0.34 0.00 0.00 43.02 38.73 3b78 s PHE 798 CO 0.01 -3.43 -0.02 -3.47 -1.46 0.00 0.00 175.22 166.85 3b78 n ASP 799 N 3.05 0.22 -3.75 6.13 -0.08 -0.02 -4.79 116.55 117.31 3b78 n ASP 799 Ca 0.11 0.03 -0.15 0.00 -1.51 0.00 0.00 54.79 53.27 3b78 n ASP 799 Cb 0.38 -0.23 -0.08 0.00 2.34 0.00 0.00 41.12 43.53 3b78 n ASP 799 CO 0.00 0.00 0.00 -1.38 0.12 0.00 0.00 177.20 175.94 3b78 s HIS 800 N -1.20 1.26 -0.16 -0.67 -3.43 -1.16 -5.01 115.29 104.92 3b78 s HIS 800 Ca -0.02 -1.39 -0.05 0.00 -0.80 0.00 0.00 55.06 52.80 3b78 s HIS 800 Cb 0.00 -0.46 -0.04 0.00 -1.43 0.00 0.00 32.58 30.66 3b78 s HIS 800 CO 0.02 -0.83 0.02 -1.58 -2.00 0.00 0.00 174.74 170.37 3b78 s TRP 801 N -3.74 3.17 -0.15 0.38 0.52 -1.26 -1.13 118.94 116.73 3b78 s TRP 801 Ca 0.37 -0.03 -0.01 0.00 0.02 0.00 0.00 56.10 56.45 3b78 s TRP 801 Cb 0.04 -1.99 -0.01 0.00 -1.15 0.00 0.00 33.47 30.35 3b78 s TRP 801 CO 0.18 0.15 -0.11 0.45 0.02 0.00 0.00 176.95 177.63 3b78 s SER 802 N 0.16 4.02 -0.05 2.95 0.15 0.40 -4.90 113.70 116.44 3b78 s SER 802 Ca 0.02 -0.36 -0.30 0.00 0.70 0.00 0.00 55.95 56.01 3b78 s SER 802 Cb -0.13 -1.63 -0.02 0.00 -1.71 0.00 0.00 66.02 62.53 3b78 s SER 802 CO 0.01 0.11 1.03 -0.89 1.20 0.00 0.00 173.24 174.71 3b78 s THR 803 N 0.68 4.71 0.13 6.45 2.01 -1.26 -0.43 115.64 127.92 3b78 s THR 803 Ca -0.06 1.96 -0.30 0.00 0.31 0.00 0.00 61.69 63.60 3b78 s THR 803 Cb -0.15 -4.26 -0.06 0.00 0.01 0.00 0.00 72.50 68.04 3b78 s THR 803 CO 0.02 0.07 1.00 -0.76 -0.69 0.00 0.00 174.62 174.25 3b78 s LEU 804 N 1.62 4.50 0.26 4.42 1.43 -0.59 -4.96 118.68 125.36 3b78 s LEU 804 Ca 0.51 1.87 0.12 0.00 -1.03 0.00 0.00 54.13 55.60 3b78 s LEU 804 Cb -0.21 -3.59 0.26 0.00 0.03 0.00 0.00 46.19 42.69 3b78 s LEU 804 CO 0.23 -0.10 1.54 1.23 0.23 0.00 0.00 176.35 179.48 3b78 h GLY 805 N 5.46 0.00 -1.73 -3.19 0.00 -1.95 -3.42 103.07 98.24 3b78 h GLY 805 Ca -0.43 0.00 -0.53 0.00 0.00 0.00 0.00 47.33 46.37 3b78 h GLY 805 CO 0.72 0.00 0.38 -1.35 0.00 0.00 0.00 176.54 176.29 3b78 s SER 806 N -6.67 4.45 -0.41 0.19 1.04 -1.26 -4.95 113.70 106.09 3b78 s SER 806 Ca 0.00 2.24 -0.29 0.00 0.48 0.00 0.00 55.95 58.38 3b78 s SER 806 Cb 0.11 -2.58 0.02 0.00 0.10 0.00 0.00 66.02 63.68 3b78 s SER 806 CO 0.76 -2.08 1.10 -0.62 0.98 0.00 0.00 173.24 173.38 3b78 s ASP 807 N -2.22 6.75 0.57 7.02 3.68 -1.26 -4.70 116.67 126.52 3b78 s ASP 807 Ca 0.72 0.69 0.29 0.00 2.13 0.00 0.00 52.55 56.38 3b78 s ASP 807 Cb -0.26 -2.54 1.74 0.00 -1.45 0.00 0.00 42.92 40.41 3b78 s ASP 807 CO 0.44 -1.09 2.21 1.55 0.13 0.00 0.00 175.17 178.41 3b78 h PRO 808 N 8.76 0.00 0.00 4.34 0.13 -1.86 -0.65 132.00 142.72 3b78 h PRO 808 Ca -0.22 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.91 3b78 h PRO 808 Cb 1.06 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.19 3b78 h PRO 808 CO 1.08 0.03 -0.02 1.28 -0.23 0.00 0.00 178.00 180.15 3b78 n LEU 809 N -3.78 0.61 -4.40 1.56 4.77 -1.26 -3.83 117.00 110.68 3b78 n LEU 809 Ca -0.03 0.55 -0.44 0.00 -0.03 0.00 0.00 56.01 56.06 3b78 n LEU 809 Cb 0.12 -0.36 -0.06 0.00 -2.33 0.00 0.00 43.42 40.79 3b78 n LEU 809 CO 0.28 -0.13 0.22 -0.62 -1.33 0.00 0.00 177.39 175.81 3b78 s ASP 810 N -4.14 6.19 0.60 -1.43 -1.08 -0.26 -4.94 116.67 111.62 3b78 s ASP 810 Ca 0.11 -1.25 0.30 0.00 -0.52 0.00 0.00 52.55 51.19 3b78 s ASP 810 Cb 0.14 -2.25 1.66 0.00 -1.46 0.00 0.00 42.92 41.02 3b78 s ASP 810 CO 0.58 -0.84 2.06 -0.65 0.52 0.00 0.00 175.17 176.84 3b78 h PRO 811 N 8.93 0.00 0.00 4.34 0.11 -1.80 -1.40 132.00 142.19 3b78 h PRO 811 Ca -0.28 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 65.71 3b78 h PRO 811 Cb 1.10 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.19 3b78 h PRO 811 CO 0.97 0.00 -0.70 1.79 -0.21 0.00 0.00 178.00 179.85 3b78 h THR 812 N 0.00 0.82 -4.24 -1.15 1.35 -1.91 -3.08 112.91 104.69 3b78 h THR 812 Ca 0.10 -2.21 -0.49 0.00 -0.55 0.00 0.00 66.41 63.25 3b78 h THR 812 Cb 0.61 2.36 0.12 0.00 -1.73 0.00 0.00 68.15 69.51 3b78 h THR 812 CO -0.00 0.47 0.32 -0.94 -0.25 0.00 0.00 175.52 175.11 3b78 s SER 813 N -6.33 4.35 0.48 5.36 1.04 -0.53 -4.79 113.70 113.28 3b78 s SER 813 Ca 0.03 1.47 0.15 0.00 0.48 0.00 0.00 55.95 58.08 3b78 s SER 813 Cb 0.08 -2.21 1.14 0.00 0.10 0.00 0.00 66.02 65.14 3b78 s SER 813 CO 0.76 -2.08 2.07 0.11 0.98 0.00 0.00 173.24 175.08 3b78 h LYS 814 N -1.16 0.00 0.02 4.02 1.57 -1.89 0.12 116.57 119.24 3b78 h LYS 814 Ca -0.47 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.28 3b78 h LYS 814 Cb 1.26 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.57 3b78 h LYS 814 CO 0.57 0.09 -0.14 0.00 -0.57 0.00 0.00 179.45 179.40 3b78 h ALA 815 N 1.91 -0.01 0.00 3.86 0.00 -1.84 -3.23 119.26 119.95 3b78 h ALA 815 Ca -0.00 -0.51 -0.00 0.00 0.00 0.00 0.00 54.91 54.39 3b78 h ALA 815 Cb 0.16 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 3b78 h ALA 815 CO 0.01 0.05 -0.02 0.78 0.00 0.00 0.00 179.25 180.07 3b78 h GLY 816 N -0.85 0.00 0.79 0.00 0.00 -1.50 -1.81 103.07 99.70 3b78 h GLY 816 Ca -0.02 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.25 3b78 h GLY 816 CO 0.03 0.00 -0.09 -2.09 0.00 0.00 0.00 176.54 174.39 3b78 h GLU 817 N 0.00 0.39 -0.54 4.80 4.81 -0.67 0.48 114.58 123.84 3b78 h GLU 817 Ca -0.00 -0.17 -0.09 0.00 -0.13 0.00 0.00 59.36 58.97 3b78 h GLU 817 Cb 0.25 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.60 3b78 h GLU 817 CO 0.00 0.69 -0.01 0.82 -0.73 0.00 0.00 179.01 179.78 3b78 h ILE 818 N 0.08 1.26 -0.59 2.32 2.04 -1.43 -1.80 117.51 119.40 3b78 h ILE 818 Ca 0.04 -1.12 -0.01 0.00 1.00 0.00 0.00 64.86 64.77 3b78 h ILE 818 Cb 0.57 0.91 -0.03 0.00 -0.74 0.00 0.00 36.82 37.53 3b78 h ILE 818 CO 0.03 0.40 0.32 0.58 0.00 0.00 0.00 178.15 179.48 3b78 h VAL 819 N 0.84 1.19 -0.11 1.67 2.07 -1.29 -1.83 116.25 118.79 3b78 h VAL 819 Ca 0.15 -0.49 -0.01 0.00 0.82 0.00 0.00 66.70 67.18 3b78 h VAL 819 Cb 0.54 0.44 -0.00 0.00 -1.52 0.00 0.00 31.29 30.75 3b78 h VAL 819 CO 0.03 0.21 0.04 0.25 0.02 0.00 0.00 177.57 178.12 3b78 h LEU 820 N 0.80 0.15 -1.56 2.57 5.85 -0.75 -1.05 115.31 121.32 3b78 h LEU 820 Ca 0.21 -0.17 -0.03 0.00 0.84 0.00 0.00 57.88 58.73 3b78 h LEU 820 Cb 0.04 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.02 3b78 h LEU 820 CO -0.03 0.28 -0.05 0.00 -0.34 0.00 0.00 178.44 178.30 3b78 h ALA 821 N 0.88 1.64 0.08 1.25 0.00 -1.23 -1.30 119.26 120.58 3b78 h ALA 821 Ca 0.04 -0.14 -0.21 0.00 0.00 0.00 0.00 54.91 54.60 3b78 h ALA 821 Cb 0.18 -0.08 0.02 0.00 0.00 0.00 0.00 17.79 17.91 3b78 h ALA 821 CO -0.00 0.26 -0.86 0.00 0.00 0.00 0.00 179.25 178.65 3b78 h ALA 822 N 1.74 -0.00 -0.72 0.00 0.00 -1.16 -2.31 119.26 116.81 3b78 h ALA 822 Ca 0.05 -0.67 -0.07 0.00 0.00 0.00 0.00 54.91 54.23 3b78 h ALA 822 Cb 0.24 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 3b78 h ALA 822 CO 0.01 0.46 0.19 0.00 0.00 0.00 0.00 179.25 179.91 3b78 h ARG 823 N -0.07 1.14 -0.60 0.00 3.08 -0.96 -1.20 114.38 115.77 3b78 h ARG 823 Ca -0.13 -0.26 -0.03 0.00 0.07 0.00 0.00 59.98 59.63 3b78 h ARG 823 Cb 1.59 -0.16 -0.03 0.00 0.08 0.00 0.00 29.97 31.46 3b78 h ARG 823 CO 0.16 0.99 0.26 0.87 -1.07 0.00 0.00 179.97 181.19 3b78 h LYS 824 N 1.09 0.88 -1.00 0.04 1.57 -1.32 0.27 116.57 118.09 3b78 h LYS 824 Ca 0.23 -0.15 0.02 0.00 -1.87 0.00 0.00 60.65 58.88 3b78 h LYS 824 Cb 0.35 -0.15 -0.05 0.00 0.08 0.00 0.00 32.23 32.46 3b78 h LYS 824 CO -0.00 0.73 0.66 -0.09 -0.57 0.00 0.00 179.45 180.18 3b78 h ARG 825 N 0.82 1.29 -0.03 3.15 2.43 -0.81 -2.11 114.38 119.13 3b78 h ARG 825 Ca 0.20 -0.08 0.00 0.00 -0.81 0.00 0.00 59.98 59.29 3b78 h ARG 825 Cb 0.17 -0.29 0.00 0.00 -0.42 0.00 0.00 29.97 29.43 3b78 h ARG 825 CO -0.02 0.85 0.00 0.72 -1.51 0.00 0.00 179.97 180.01 3b78 n HIS 826 N -4.41 0.03 -1.15 2.20 8.25 -0.51 -4.90 115.22 114.73 3b78 n HIS 826 Ca 0.12 -0.01 -0.05 0.00 -0.26 0.00 0.00 57.72 57.52 3b78 n HIS 826 Cb 0.04 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.13 3b78 n HIS 826 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3b78 n GLY 827 N 1.08 0.77 3.89 -1.41 0.00 -0.79 -5.03 105.19 103.71 3b78 n GLY 827 Ca 0.20 -0.71 -0.29 0.00 0.00 0.00 0.00 46.02 45.22 3b78 n GLY 827 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3b78 s MET 828 N -2.28 1.32 -0.02 1.61 -1.94 0.05 -5.01 119.30 113.03 3b78 s MET 828 Ca 0.00 -0.06 -0.30 0.00 -1.71 0.00 0.00 55.69 53.62 3b78 s MET 828 Cb 0.00 -1.89 -0.04 0.00 2.01 0.00 0.00 34.83 34.91 3b78 s MET 828 CO 0.00 -2.01 1.24 0.21 -0.01 0.00 0.00 175.02 174.45 3b78 s LYS 829 N -5.65 4.35 0.27 2.03 2.20 -1.26 -4.55 119.74 117.14 3b78 s LYS 829 Ca 0.67 1.76 0.00 0.00 -0.36 0.00 0.00 55.97 58.04 3b78 s LYS 829 Cb -0.09 -3.51 0.62 0.00 -1.51 0.00 0.00 37.83 33.34 3b78 s LYS 829 CO 0.51 -0.43 1.69 0.93 -0.36 0.00 0.00 175.35 177.69 3b78 h GLU 830 N 7.39 0.33 -6.43 4.03 5.08 -1.94 -3.40 114.58 119.63 3b78 h GLU 830 Ca -0.37 -0.02 -0.54 0.00 -1.00 0.00 0.00 59.36 57.44 3b78 h GLU 830 Cb 1.18 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.34 3b78 h GLU 830 CO 0.87 0.22 0.46 -1.83 -1.00 0.00 0.00 179.01 177.72 3b78 s GLU 831 N -5.95 4.50 -0.06 2.33 1.03 -1.26 -4.85 118.70 114.44 3b78 s GLU 831 Ca -0.12 1.56 -0.30 0.00 0.03 0.00 0.00 54.97 56.14 3b78 s GLU 831 Cb 0.24 -3.42 -0.05 0.00 -0.80 0.00 0.00 34.13 30.10 3b78 s GLU 831 CO 0.77 -0.15 1.46 0.08 -1.33 0.00 0.00 175.26 176.09 3b78 s VAL 832 N 1.08 3.79 0.21 1.83 1.01 -1.26 -4.95 120.40 122.11 3b78 s VAL 832 Ca 0.55 1.06 -0.32 0.00 0.00 0.00 0.00 61.98 63.26 3b78 s VAL 832 Cb -0.24 -3.68 -0.14 0.00 0.00 0.00 0.00 36.38 32.32 3b78 s VAL 832 CO 0.28 -0.06 1.44 -2.65 0.00 0.00 0.00 175.10 174.11 3b78 n PRO 833 N 6.28 1.98 -1.25 2.72 -0.02 -1.26 -4.97 135.00 138.48 3b78 n PRO 833 Ca 0.15 0.71 -0.29 0.00 -2.02 0.00 0.00 63.50 62.05 3b78 n PRO 833 Cb 0.44 -2.39 0.17 0.00 -0.02 0.00 0.00 33.50 31.70 3b78 n PRO 833 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 3b78 s GLY 834 N 0.45 1.57 0.48 -1.23 0.00 -1.26 -4.93 107.32 102.39 3b78 s GLY 834 Ca 0.72 -0.41 0.23 0.00 0.00 0.00 0.00 44.72 45.26 3b78 s GLY 834 CO 0.47 0.20 2.01 0.11 0.00 0.00 0.00 173.10 175.89 3b78 h TRP 835 N -1.82 0.00 0.00 1.90 5.08 -1.90 -2.69 115.95 116.52 3b78 h TRP 835 Ca -0.54 0.00 -0.00 0.00 1.08 0.00 0.00 58.89 59.43 3b78 h TRP 835 Cb 1.33 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 27.49 3b78 h TRP 835 CO 0.29 0.17 -0.02 1.96 -1.28 0.00 0.00 178.44 179.56 3b78 h GLN 836 N 0.00 0.00 -0.46 0.12 7.50 -1.91 -0.24 115.11 120.11 3b78 h GLN 836 Ca -0.00 0.00 -0.08 0.00 0.50 0.00 0.00 58.65 59.07 3b78 h GLN 836 Cb 0.39 0.00 -0.02 0.00 0.05 0.00 0.00 27.48 27.90 3b78 h GLN 836 CO 0.02 0.02 -0.05 0.93 -1.50 0.00 0.00 178.83 178.25 3b78 h GLU 837 N 0.00 0.80 0.00 1.46 3.07 -1.84 -3.18 114.58 114.89 3b78 h GLU 837 Ca -0.00 -0.24 0.00 0.00 -0.50 0.00 0.00 59.36 58.62 3b78 h GLU 837 Cb 0.04 -0.08 0.00 0.00 -0.84 0.00 0.00 28.75 27.87 3b78 h GLU 837 CO 0.00 0.83 -1.42 0.66 -1.40 0.00 0.00 179.01 177.68 3b78 n TYR 838 N -4.19 0.29 -2.17 4.33 4.02 -0.69 -4.91 117.16 113.84 3b78 n TYR 838 Ca 0.02 0.08 -0.34 0.00 -0.01 0.00 0.00 57.90 57.66 3b78 n TYR 838 Cb 0.33 -0.54 0.00 0.00 -0.02 0.00 0.00 39.34 39.11 3b78 n TYR 838 CO 0.00 0.00 0.00 -0.47 -1.01 0.00 0.00 176.86 175.38 3b78 s TYR 839 N -3.35 2.83 0.14 -0.72 5.04 -0.19 -4.46 117.35 116.63 3b78 s TYR 839 Ca -0.02 1.54 -0.35 0.00 -2.44 0.00 0.00 57.07 55.81 3b78 s TYR 839 Cb 0.13 -3.13 -0.15 0.00 0.35 0.00 0.00 41.96 39.15 3b78 s TYR 839 CO 0.85 -1.29 1.37 -3.47 -1.34 0.00 0.00 175.55 171.67 3b78 n ASP 840 N -1.65 2.05 -4.56 4.32 4.64 0.41 -4.86 116.55 116.90 3b78 n ASP 840 Ca 0.10 1.12 -0.42 0.00 -1.38 0.00 0.00 54.79 54.20 3b78 n ASP 840 Cb 0.52 -1.28 -0.03 0.00 -1.04 0.00 0.00 41.12 39.29 3b78 n ASP 840 CO 0.00 0.00 0.00 -0.75 -0.82 0.00 0.00 177.20 175.63 3b78 s LYS 841 N 0.34 3.44 0.00 -0.67 2.20 -1.26 -5.04 119.74 118.74 3b78 s LYS 841 Ca 0.79 0.07 0.00 0.00 -0.36 0.00 0.00 55.97 56.48 3b78 s LYS 841 Cb -0.84 -4.04 0.00 0.00 -1.51 0.00 0.00 37.83 31.44 3b78 s LYS 841 CO 0.46 -1.67 0.00 1.47 -0.36 0.00 0.00 175.35 175.25