#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g5a s MET 1 N 0.00 1.63 0.48 5.55 -1.94 -0.91 -4.98 119.30 119.14 3g5a s MET 1 Ca 0.00 -1.21 -0.22 0.00 -1.71 0.00 0.00 55.69 52.55 3g5a s MET 1 Cb 0.00 -1.95 -0.07 0.00 2.01 0.00 0.00 34.83 34.82 3g5a s MET 1 CO 0.00 0.49 1.11 1.03 -0.01 0.00 0.00 175.02 177.64 3g5a s ARG 2 N -1.59 3.70 0.21 2.03 0.52 -1.26 -3.99 118.95 118.58 3g5a s ARG 2 Ca 0.13 1.61 -0.09 0.00 -0.52 0.00 0.00 55.73 56.86 3g5a s ARG 2 Cb -0.10 -2.25 0.26 0.00 0.52 0.00 0.00 34.95 33.38 3g5a s ARG 2 CO 0.04 -0.56 1.82 1.25 0.02 0.00 0.00 175.30 177.86 3g5a h LEU 3 N 1.77 0.60 -0.59 2.53 5.85 -1.85 0.36 115.31 123.98 3g5a h LEU 3 Ca -0.49 0.03 0.05 0.00 0.84 0.00 0.00 57.88 58.31 3g5a h LEU 3 Cb 1.24 -0.09 -0.05 0.00 0.37 0.00 0.00 40.66 42.13 3g5a h LEU 3 CO 0.59 0.39 0.32 1.23 -0.34 0.00 0.00 178.44 180.62 3g5a h GLY 4 N 0.73 0.85 1.00 3.75 0.00 -1.91 0.29 103.07 107.79 3g5a h GLY 4 Ca 0.31 -0.22 -0.06 0.00 0.00 0.00 0.00 47.33 47.36 3g5a h GLY 4 CO -0.18 0.13 0.09 -0.55 0.00 0.00 0.00 176.54 176.04 3g5a h ASP 5 N 0.60 0.83 -0.58 0.19 3.32 -1.48 -0.64 116.42 118.65 3g5a h ASP 5 Ca 0.26 -0.26 -0.03 0.00 0.02 0.00 0.00 57.03 57.03 3g5a h ASP 5 Cb 0.16 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.47 3g5a h ASP 5 CO -0.17 0.87 0.25 0.00 -1.72 0.00 0.00 179.24 178.47 3g5a h ALA 6 N 0.99 0.75 -0.40 3.45 0.00 -0.74 -0.49 119.26 122.83 3g5a h ALA 6 Ca 0.16 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 3g5a h ALA 6 Cb 0.39 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 3g5a h ALA 6 CO 0.01 0.35 0.12 0.00 0.00 0.00 0.00 179.25 179.73 3g5a h ALA 7 N 1.09 0.52 -0.11 0.00 0.00 -0.16 -1.21 119.26 119.40 3g5a h ALA 7 Ca 0.19 -0.17 0.01 0.00 0.00 0.00 0.00 54.91 54.94 3g5a h ALA 7 Cb 0.17 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 3g5a h ALA 7 CO -0.02 0.17 0.06 1.49 0.00 0.00 0.00 179.25 180.95 3g5a h GLU 8 N 0.50 0.12 -0.62 0.00 4.81 -1.04 -0.20 114.58 118.15 3g5a h GLU 8 Ca 0.13 -0.01 0.13 0.00 -0.13 0.00 0.00 59.36 59.48 3g5a h GLU 8 Cb 0.26 -0.03 -0.10 0.00 0.63 0.00 0.00 28.75 29.51 3g5a h GLU 8 CO -0.00 0.08 0.02 1.25 -0.73 0.00 0.00 179.01 179.62 3g5a h LEU 9 N 0.12 -0.24 -0.58 1.64 5.85 -0.88 0.11 115.31 121.34 3g5a h LEU 9 Ca 0.04 0.15 -0.08 0.00 0.84 0.00 0.00 57.88 58.84 3g5a h LEU 9 Cb 0.00 0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.27 3g5a h LEU 9 CO -0.03 -0.10 0.05 0.00 -0.34 0.00 0.00 178.44 178.02 3g5a h TYR 11 N 0.87 0.58 -0.21 0.00 3.20 -0.59 -0.73 116.97 120.09 3g5a h TYR 11 Ca 0.17 0.02 -0.04 0.00 3.14 0.00 0.00 58.73 62.01 3g5a h TYR 11 Cb 0.48 -0.19 -0.01 0.00 1.54 0.00 0.00 36.73 38.55 3g5a h TYR 11 CO 0.04 0.34 -0.04 -0.91 -1.64 0.00 0.00 178.16 175.95 3g5a h ASN 12 N 0.62 0.39 -0.29 -2.11 2.35 -0.64 -0.87 115.58 115.03 3g5a h ASN 12 Ca 0.20 -0.35 -0.07 0.00 -0.55 0.00 0.00 56.30 55.52 3g5a h ASN 12 Cb -0.00 -0.11 -0.02 0.00 0.05 0.00 0.00 38.32 38.24 3g5a h ASN 12 CO -0.08 0.66 -0.06 0.17 -1.65 0.00 0.00 177.43 176.46 3g5a h LEU 13 N 0.13 0.65 -0.42 1.61 8.10 -0.98 0.03 115.31 124.43 3g5a h LEU 13 Ca 0.05 -0.17 -0.11 0.00 0.11 0.00 0.00 57.88 57.77 3g5a h LEU 13 Cb 0.48 -0.17 -0.01 0.00 -0.44 0.00 0.00 40.66 40.51 3g5a h LEU 13 CO 0.02 0.76 -0.16 0.74 -4.11 0.00 0.00 178.44 175.69 3g5a h THR 14 N 0.63 1.28 -0.60 0.15 2.02 -1.12 0.82 112.91 116.08 3g5a h THR 14 Ca 0.12 -1.28 -0.07 0.00 0.77 0.00 0.00 66.41 65.94 3g5a h THR 14 Cb 0.48 1.23 -0.02 0.00 -1.74 0.00 0.00 68.15 68.10 3g5a h THR 14 CO 0.03 0.43 0.09 0.28 0.37 0.00 0.00 175.52 176.72 3g5a h SER 15 N 0.66 0.96 -0.44 4.18 0.02 -0.96 -0.69 113.55 117.28 3g5a h SER 15 Ca 0.10 -0.26 -0.00 0.00 -0.84 0.00 0.00 61.79 60.78 3g5a h SER 15 Cb 0.71 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.97 3g5a h SER 15 CO 0.05 0.98 0.27 -1.28 -1.14 0.00 0.00 176.83 175.71 3g5a h SER 16 N 0.90 0.53 -0.41 3.07 0.87 -0.85 -1.77 113.55 115.89 3g5a h SER 16 Ca 0.18 -0.06 0.04 0.00 -1.23 0.00 0.00 61.79 60.73 3g5a h SER 16 Cb 0.44 -0.13 -0.04 0.00 -0.44 0.00 0.00 62.40 62.22 3g5a h SER 16 CO 0.01 0.43 0.16 0.22 -0.53 0.00 0.00 176.83 177.13 3g5a h TYR 17 N 0.59 0.29 0.00 2.24 3.20 -0.52 -2.61 116.97 120.17 3g5a h TYR 17 Ca 0.16 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.04 3g5a h TYR 17 Cb -0.00 -0.07 -0.00 0.00 1.54 0.00 0.00 36.73 38.19 3g5a h TYR 17 CO -0.03 0.13 -0.05 -0.07 -1.64 0.00 0.00 178.16 176.50 3g5a h LEU 18 N 0.34 0.00 -0.22 2.82 3.38 -0.64 -2.14 115.31 118.84 3g5a h LEU 18 Ca 0.18 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.15 3g5a h LEU 18 Cb 0.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.89 3g5a h LEU 18 CO -0.17 0.05 -0.31 0.00 0.09 0.00 0.00 178.44 178.09 3g5a n GLN 19 N -3.35 0.43 -1.73 1.13 6.02 -0.71 -4.92 117.38 114.25 3g5a n GLN 19 Ca -0.02 -0.22 -0.42 0.00 -0.01 0.00 0.00 57.00 56.32 3g5a n GLN 19 Cb 0.19 -1.50 -0.02 0.00 1.02 0.00 0.00 30.24 29.93 3g5a n GLN 19 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.06 175.16 3g5a n ILE 20 N -1.09 1.03 -2.77 5.09 5.41 -0.81 -4.91 119.36 121.31 3g5a n ILE 20 Ca 0.10 -0.26 -0.42 0.00 1.00 0.00 0.00 62.75 63.16 3g5a n ILE 20 Cb 0.33 -1.84 -0.04 0.00 -0.71 0.00 0.00 39.64 37.39 3g5a n ILE 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3g5a s ALA 21 N -0.04 3.01 0.01 -1.39 0.00 -1.26 -5.00 121.76 117.09 3g5a s ALA 21 Ca 0.65 -1.69 0.08 0.00 0.00 0.00 0.00 51.96 51.00 3g5a s ALA 21 Cb -0.53 -3.97 -0.03 0.00 0.00 0.00 0.00 23.12 18.59 3g5a s ALA 21 CO 0.49 -2.91 -0.25 0.00 0.00 0.00 0.00 175.76 173.09 3g5a s ALA 22 N 4.55 2.27 0.66 0.00 0.00 -1.26 -5.10 121.76 122.88 3g5a s ALA 22 Ca 0.26 -1.19 -0.16 0.00 0.00 0.00 0.00 51.96 50.87 3g5a s ALA 22 Cb -0.14 -0.55 0.00 0.00 0.00 0.00 0.00 23.12 22.43 3g5a s ALA 22 CO 0.12 0.54 1.15 -1.21 0.00 0.00 0.00 175.76 176.36 3g5a s GLU 23 N -0.98 2.66 0.41 0.00 0.41 -1.26 -4.82 118.70 115.11 3g5a s GLU 23 Ca 0.11 1.57 0.13 0.00 -0.41 0.00 0.00 54.97 56.37 3g5a s GLU 23 Cb -0.10 -1.92 0.87 0.00 -1.78 0.00 0.00 34.13 31.21 3g5a s GLU 23 CO 0.01 -1.39 1.93 0.66 -0.49 0.00 0.00 175.26 175.97 3g5a h SER 24 N 0.12 0.05 -0.21 -0.19 4.64 -2.00 -1.94 113.55 114.03 3g5a h SER 24 Ca -0.48 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 3g5a h SER 24 Cb 1.27 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 3g5a h SER 24 CO 0.53 0.28 0.00 -0.90 -0.87 0.00 0.00 176.83 175.87 3g5a n ASP 25 N -4.25 2.18 -4.93 4.97 5.68 -1.26 -4.75 116.55 114.19 3g5a n ASP 25 Ca -0.02 -2.21 -0.26 0.00 -0.50 0.00 0.00 54.79 51.80 3g5a n ASP 25 Cb 0.30 -0.44 -0.02 0.00 -1.14 0.00 0.00 41.12 39.82 3g5a n ASP 25 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 3g5a s SER 26 N -0.49 6.36 0.18 -1.12 1.04 -0.73 -5.00 113.70 113.94 3g5a s SER 26 Ca 0.18 0.46 -0.13 0.00 0.48 0.00 0.00 55.95 56.94 3g5a s SER 26 Cb 0.12 -2.04 0.11 0.00 0.10 0.00 0.00 66.02 64.31 3g5a s SER 26 CO 0.07 -0.17 1.83 0.40 0.98 0.00 0.00 173.24 176.35 3g5a h ILE 27 N 1.19 1.10 -0.32 -1.02 2.04 -1.93 -1.88 117.51 116.68 3g5a h ILE 27 Ca -0.49 -0.25 0.03 0.00 1.00 0.00 0.00 64.86 65.16 3g5a h ILE 27 Cb 1.20 0.32 -0.03 0.00 -0.74 0.00 0.00 36.82 37.57 3g5a h ILE 27 CO 0.65 0.13 0.14 0.40 0.00 0.00 0.00 178.15 179.47 3g5a h ILE 28 N 0.71 0.95 -0.70 -0.67 2.04 -1.94 0.13 117.51 118.03 3g5a h ILE 28 Ca 0.22 -0.10 0.02 0.00 1.00 0.00 0.00 64.86 65.99 3g5a h ILE 28 Cb -0.02 0.63 -0.04 0.00 -0.74 0.00 0.00 36.82 36.65 3g5a h ILE 28 CO -0.08 0.05 0.46 0.00 0.00 0.00 0.00 178.15 178.58 3g5a h ALA 29 N 1.19 0.90 -0.91 1.87 0.00 -1.75 -0.00 119.26 120.55 3g5a h ALA 29 Ca 0.14 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3g5a h ALA 29 Cb 0.08 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 17.56 3g5a h ALA 29 CO -0.12 0.28 0.58 0.37 0.00 0.00 0.00 179.25 180.36 3g5a h GLN 30 N 0.92 1.21 -0.49 0.00 4.15 -0.79 -2.18 115.11 117.94 3g5a h GLN 30 Ca 0.27 -0.09 -0.09 0.00 0.77 0.00 0.00 58.65 59.51 3g5a h GLN 30 Cb -0.06 -0.27 -0.02 0.00 0.21 0.00 0.00 27.48 27.34 3g5a h GLN 30 CO -0.07 0.82 -0.03 1.15 -1.93 0.00 0.00 178.83 178.77 3g5a h THR 31 N 1.24 1.27 -0.67 2.39 2.02 0.13 -1.82 112.91 117.47 3g5a h THR 31 Ca 0.33 -1.13 0.05 0.00 0.77 0.00 0.00 66.41 66.44 3g5a h THR 31 Cb -0.11 1.01 -0.05 0.00 -1.74 0.00 0.00 68.15 67.27 3g5a h THR 31 CO -0.07 0.39 0.38 1.56 0.37 0.00 0.00 175.52 178.16 3g5a h GLN 32 N 0.74 0.69 -0.77 6.66 4.20 -0.72 0.18 115.11 126.09 3g5a h GLN 32 Ca 0.13 -0.04 -0.02 0.00 0.06 0.00 0.00 58.65 58.79 3g5a h GLN 32 Cb 0.56 -0.16 -0.04 0.00 0.30 0.00 0.00 27.48 28.15 3g5a h GLN 32 CO 0.03 0.46 0.41 0.00 -0.67 0.00 0.00 178.83 179.06 3g5a h ARG 33 N 0.71 1.07 -0.25 1.46 3.08 -1.26 -1.57 114.38 117.62 3g5a h ARG 33 Ca 0.29 -0.13 0.01 0.00 0.07 0.00 0.00 59.98 60.22 3g5a h ARG 33 Cb 0.15 -0.21 -0.02 0.00 0.08 0.00 0.00 29.97 29.98 3g5a h ARG 33 CO -0.17 0.80 0.14 0.00 -1.07 0.00 0.00 179.97 179.68 3g5a h ALA 34 N 1.21 0.31 -0.31 0.04 0.00 -0.40 -2.46 119.26 117.66 3g5a h ALA 34 Ca 0.27 -0.00 0.06 0.00 0.00 0.00 0.00 54.91 55.24 3g5a h ALA 34 Cb 0.05 -0.07 -0.06 0.00 0.00 0.00 0.00 17.79 17.71 3g5a h ALA 34 CO -0.04 -0.25 -0.09 0.82 0.00 0.00 0.00 179.25 179.69 3g5a h ILE 35 N 0.30 0.65 -0.76 0.00 2.04 -0.49 -1.85 117.51 117.40 3g5a h ILE 35 Ca 0.10 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.93 3g5a h ILE 35 Cb -0.00 0.65 -0.04 0.00 -0.74 0.00 0.00 36.82 36.70 3g5a h ILE 35 CO -0.05 0.00 0.36 0.78 0.00 0.00 0.00 178.15 179.25 3g5a h ASN 36 N -0.02 0.99 -0.43 1.72 2.35 -1.09 -0.23 115.58 118.86 3g5a h ASN 36 Ca 0.15 -0.11 -0.06 0.00 -0.55 0.00 0.00 56.30 55.73 3g5a h ASN 36 Cb 0.26 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 38.36 3g5a h ASN 36 CO -0.34 0.83 0.03 0.74 -1.65 0.00 0.00 177.43 177.04 3g5a h THR 37 N 1.08 1.26 -0.50 2.81 2.02 -1.33 -1.27 112.91 116.98 3g5a h THR 37 Ca 0.26 -0.98 0.04 0.00 0.77 0.00 0.00 66.41 66.49 3g5a h THR 37 Cb 0.11 1.04 -0.04 0.00 -1.74 0.00 0.00 68.15 67.52 3g5a h THR 37 CO -0.03 0.34 0.27 0.74 0.37 0.00 0.00 175.52 177.20 3g5a h THR 38 N 0.60 0.99 -0.52 3.16 2.02 -0.84 -0.94 112.91 117.39 3g5a h THR 38 Ca 0.13 -0.18 -0.03 0.00 0.77 0.00 0.00 66.41 67.09 3g5a h THR 38 Cb 0.45 0.42 -0.02 0.00 -1.74 0.00 0.00 68.15 67.26 3g5a h THR 38 CO 0.02 0.10 0.19 0.11 0.37 0.00 0.00 175.52 176.30 3g5a h LYS 39 N 0.53 0.79 -0.33 6.66 1.57 -0.96 -0.99 116.57 123.84 3g5a h LYS 39 Ca 0.21 -0.15 -0.01 0.00 -1.87 0.00 0.00 60.65 58.83 3g5a h LYS 39 Cb 0.09 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.26 3g5a h LYS 39 CO -0.13 0.71 0.18 1.03 -0.57 0.00 0.00 179.45 180.67 3g5a h SER 40 N 0.70 0.40 -0.46 0.86 0.87 -1.04 0.84 113.55 115.73 3g5a h SER 40 Ca 0.17 -0.08 0.04 0.00 -1.23 0.00 0.00 61.79 60.69 3g5a h SER 40 Cb 0.23 -0.10 -0.04 0.00 -0.44 0.00 0.00 62.40 62.05 3g5a h SER 40 CO -0.01 0.37 0.22 0.40 -0.53 0.00 0.00 176.83 177.28 3g5a h ILE 41 N 0.41 0.95 0.48 2.23 2.04 -0.95 0.19 117.51 122.86 3g5a h ILE 41 Ca 0.12 -0.15 -0.02 0.00 1.00 0.00 0.00 64.86 65.80 3g5a h ILE 41 Cb 0.05 0.47 0.00 0.00 -0.74 0.00 0.00 36.82 36.61 3g5a h ILE 41 CO -0.02 0.08 -0.23 -0.07 0.00 0.00 0.00 178.15 177.91 3g5a h LEU 42 N 0.44 -0.55 -0.26 1.44 3.38 -0.90 -0.94 115.31 117.92 3g5a h LEU 42 Ca 0.20 -0.05 -0.09 0.00 0.09 0.00 0.00 57.88 58.03 3g5a h LEU 42 Cb 0.12 0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 3g5a h LEU 42 CO -0.15 -0.14 -0.21 0.40 0.09 0.00 0.00 178.44 178.44 3g5a h ILE 43 N -1.09 1.31 0.07 1.22 2.04 0.71 -1.39 117.51 120.38 3g5a h ILE 43 Ca -0.07 -1.35 -0.32 0.00 1.00 0.00 0.00 64.86 64.13 3g5a h ILE 43 Cb 0.56 1.61 -0.03 0.00 -0.74 0.00 0.00 36.82 38.22 3g5a h ILE 43 CO 0.11 0.42 -1.74 0.78 0.00 0.00 0.00 178.15 177.72 3g5a h ASN 44 N 0.32 0.23 0.00 1.72 2.35 -0.76 -3.40 115.58 116.03 3g5a h ASN 44 Ca 0.05 -0.44 -0.09 0.00 -0.55 0.00 0.00 56.30 55.27 3g5a h ASN 44 Cb 0.75 -0.07 -0.02 0.00 0.05 0.00 0.00 38.32 39.03 3g5a h ASN 44 CO 0.05 1.39 -1.59 -0.62 -1.65 0.00 0.00 177.43 175.01 3g5a n GLU 45 N -3.29 1.32 -0.07 0.81 1.02 -1.03 -4.72 120.64 114.68 3g5a n GLU 45 Ca -0.21 -0.05 -0.06 0.00 -0.02 0.00 0.00 57.16 56.81 3g5a n GLU 45 Cb 1.05 -1.26 -0.02 0.00 -0.02 0.00 0.00 31.44 31.19 3g5a n GLU 45 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 3g5a n THR 46 N -2.12 1.14 -0.34 2.62 -1.04 -0.39 -4.48 114.28 109.68 3g5a n THR 46 Ca -0.09 0.24 0.09 0.00 -2.04 0.00 0.00 64.05 62.25 3g5a n THR 46 Cb 0.55 -2.16 0.29 0.00 -1.82 0.00 0.00 70.33 67.19 3g5a n THR 46 CO 0.00 0.00 0.00 -0.26 -0.64 0.00 0.00 175.07 174.17 3g5a h PHE 47 N -0.77 1.05 0.00 -1.42 0.04 -1.44 -0.14 116.94 114.27 3g5a h PHE 47 Ca 0.00 0.03 -0.01 0.00 2.80 0.00 0.00 57.97 60.79 3g5a h PHE 47 Cb 0.69 -0.33 -0.00 0.00 2.20 0.00 0.00 35.95 38.51 3g5a h PHE 47 CO -0.30 0.39 -0.03 -1.35 -0.60 0.00 0.00 178.31 176.42 3g5a h PRO 48 N 0.89 0.00 0.04 1.51 0.11 -1.83 -3.25 132.00 129.46 3g5a h PRO 48 Ca 0.49 0.00 -0.36 0.00 0.11 0.00 0.00 66.00 66.24 3g5a h PRO 48 Cb 0.60 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 31.66 3g5a h PRO 48 CO -0.26 0.03 -2.06 1.63 -0.21 0.00 0.00 178.00 177.14 3g5a n LYS 49 N -3.62 0.66 -5.01 1.05 5.02 -0.17 -4.94 118.16 111.15 3g5a n LYS 49 Ca -0.03 0.31 -0.29 0.00 -2.02 0.00 0.00 58.31 56.29 3g5a n LYS 49 Cb 0.13 -1.63 -0.16 0.00 -0.02 0.00 0.00 35.03 33.35 3g5a n LYS 49 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 3g5a s TRP 50 N -2.49 2.05 -0.08 2.13 0.51 -0.60 -5.11 118.94 115.34 3g5a s TRP 50 Ca -0.30 -0.64 -0.30 0.00 -2.12 0.00 0.00 56.10 52.74 3g5a s TRP 50 Cb 0.09 -1.37 -0.04 0.00 -0.81 0.00 0.00 33.47 31.34 3g5a s TRP 50 CO 0.63 -0.22 1.46 0.45 -0.51 0.00 0.00 176.95 178.76 3g5a s SER 51 N 0.06 6.81 0.00 2.95 0.15 -1.26 -4.25 113.70 118.15 3g5a s SER 51 Ca -0.06 2.01 0.25 0.00 0.70 0.00 0.00 55.95 58.84 3g5a s SER 51 Cb -0.13 -2.54 1.47 0.00 -1.71 0.00 0.00 66.02 63.11 3g5a s SER 51 CO 0.04 -0.82 1.84 -0.81 1.20 0.00 0.00 173.24 174.68 3g5a n PRO 52 N 6.55 0.78 -0.04 5.44 -0.04 -1.26 -3.00 135.00 143.42 3g5a n PRO 52 Ca 0.15 0.00 -0.00 0.00 -0.04 0.00 0.00 63.50 63.61 3g5a n PRO 52 Cb 0.44 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.29 3g5a n PRO 52 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3g5a n LEU 53 N -1.00 0.00 -0.69 1.53 4.77 -1.26 -4.67 117.00 115.68 3g5a n LEU 53 Ca 0.19 0.00 0.08 0.00 -0.03 0.00 0.00 56.01 56.24 3g5a n LEU 53 Cb 0.08 0.19 0.21 0.00 -2.33 0.00 0.00 43.42 41.57 3g5a n LEU 53 CO 0.14 0.19 0.66 -0.46 -1.33 0.00 0.00 177.39 176.59 3g5a n ASN 54 N -2.30 3.40 0.00 -1.43 0.23 -1.26 -4.95 115.26 108.96 3g5a n ASN 54 Ca -0.14 -2.78 0.00 0.00 -0.53 0.00 0.00 54.58 51.13 3g5a n ASN 54 Cb 0.70 -0.44 0.00 0.00 -2.08 0.00 0.00 39.78 37.96 3g5a n ASN 54 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3g5a n GLY 55 N -0.44 1.02 0.34 4.83 0.00 -1.26 -4.92 105.19 104.76 3g5a n GLY 55 Ca 0.18 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.29 3g5a n GLY 55 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3g5a h GLU 56 N 3.62 0.48 -5.28 1.61 5.08 -1.70 -3.28 114.58 115.10 3g5a h GLU 56 Ca 0.00 -0.03 -0.64 0.00 -1.00 0.00 0.00 59.36 57.69 3g5a h GLU 56 Cb 0.00 -0.11 -0.23 0.00 0.50 0.00 0.00 28.75 28.91 3g5a h GLU 56 CO 0.00 0.32 -0.69 0.42 -1.00 0.00 0.00 179.01 178.05 3g5a s ILE 57 N -5.45 3.65 0.16 3.13 1.01 -1.16 -0.13 121.20 122.40 3g5a s ILE 57 Ca -0.08 -0.44 0.09 0.00 0.00 0.00 0.00 60.65 60.22 3g5a s ILE 57 Cb 0.19 -2.59 -0.04 0.00 0.01 0.00 0.00 42.46 40.03 3g5a s ILE 57 CO 0.75 0.49 -0.14 -0.44 0.00 0.00 0.00 174.94 175.60 3g5a s SER 58 N 0.44 4.06 -0.25 3.58 0.01 -0.74 -4.74 113.70 116.06 3g5a s SER 58 Ca -0.05 -0.59 -0.08 0.00 1.31 0.00 0.00 55.95 56.54 3g5a s SER 58 Cb -0.15 -0.63 -0.04 0.00 0.21 0.00 0.00 66.02 65.42 3g5a s SER 58 CO 0.03 0.13 0.10 0.12 0.41 0.00 0.00 173.24 174.04 3g5a s PHE 59 N -1.49 3.14 -0.30 2.43 5.36 -0.19 -1.40 117.98 125.53 3g5a s PHE 59 Ca 0.22 -0.23 -0.25 0.00 -0.96 0.00 0.00 56.93 55.71 3g5a s PHE 59 Cb -0.09 -2.26 0.00 0.00 -0.34 0.00 0.00 43.02 40.33 3g5a s PHE 59 CO 0.13 -0.25 0.86 0.45 -1.46 0.00 0.00 175.22 174.95 3g5a s SER 60 N 1.52 6.75 -0.08 6.13 0.15 -0.06 -1.13 113.70 126.98 3g5a s SER 60 Ca 0.06 0.79 0.01 0.00 0.70 0.00 0.00 55.95 57.51 3g5a s SER 60 Cb -0.15 -2.44 0.02 0.00 -1.71 0.00 0.00 66.02 61.74 3g5a s SER 60 CO 0.05 -0.67 -0.07 -0.47 1.20 0.00 0.00 173.24 173.29 3g5a s TYR 61 N 3.11 1.16 -0.08 3.44 5.04 -0.55 -4.61 117.35 124.86 3g5a s TYR 61 Ca 0.36 -0.46 0.13 0.00 -2.44 0.00 0.00 57.07 54.66 3g5a s TYR 61 Cb -0.14 -0.98 0.25 0.00 0.35 0.00 0.00 41.96 41.45 3g5a s TYR 61 CO 0.13 -0.34 1.12 0.27 -1.34 0.00 0.00 175.55 175.39 3g5a n ASN 62 N 4.44 1.23 0.00 4.32 6.94 -1.26 -4.21 115.26 126.72 3g5a n ASN 62 Ca -0.18 -2.70 0.00 0.00 -0.02 0.00 0.00 54.58 51.69 3g5a n ASN 62 Cb 0.51 -0.35 0.00 0.00 -2.36 0.00 0.00 39.78 37.57 3g5a n ASN 62 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3g5a n GLY 63 N -0.55 1.44 3.73 4.83 0.00 -1.26 -4.89 105.19 108.48 3g5a n GLY 63 Ca 0.10 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.83 3g5a n GLY 63 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3g5a s GLY 64 N -2.00 1.57 0.33 -0.02 0.00 -1.26 -4.58 107.32 101.37 3g5a s GLY 64 Ca 0.00 -0.42 0.02 0.00 0.00 0.00 0.00 44.72 44.31 3g5a s GLY 64 CO 0.00 0.16 1.94 0.07 0.00 0.00 0.00 173.10 175.27 3g5a h LYS 65 N -1.70 0.78 0.01 2.90 2.10 -1.97 -1.68 116.57 117.01 3g5a h LYS 65 Ca -0.53 -0.09 -0.00 0.00 -2.00 0.00 0.00 60.65 58.03 3g5a h LYS 65 Cb 1.33 -0.15 0.00 0.00 -0.90 0.00 0.00 32.23 32.50 3g5a h LYS 65 CO 0.59 0.60 -0.00 -0.44 -2.00 0.00 0.00 179.45 178.20 3g5a h ASP 66 N 0.79 -0.01 0.45 7.07 3.32 -1.93 -1.89 116.42 124.23 3g5a h ASP 66 Ca 0.20 -0.59 -0.07 0.00 0.02 0.00 0.00 57.03 56.59 3g5a h ASP 66 Cb 0.06 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.60 3g5a h ASP 66 CO -0.03 0.59 -0.34 0.00 -1.72 0.00 0.00 179.24 177.74 3g5a h GLN 68 N 0.00 0.12 -0.53 0.00 4.15 -1.28 0.28 115.11 117.84 3g5a h GLN 68 Ca -0.00 -0.03 0.08 0.00 0.77 0.00 0.00 58.65 59.47 3g5a h GLN 68 Cb 0.65 -0.01 -0.07 0.00 0.21 0.00 0.00 27.48 28.26 3g5a h GLN 68 CO 0.04 0.36 0.16 0.28 -1.93 0.00 0.00 178.83 177.75 3g5a h VAL 69 N -0.14 0.77 -0.62 2.39 2.07 -1.26 -1.75 116.25 117.71 3g5a h VAL 69 Ca 0.02 -0.11 -0.04 0.00 0.82 0.00 0.00 66.70 67.39 3g5a h VAL 69 Cb 0.31 0.42 -0.03 0.00 -1.52 0.00 0.00 31.29 30.46 3g5a h VAL 69 CO 0.00 0.06 0.22 0.25 0.02 0.00 0.00 177.57 178.12 3g5a h LEU 70 N 0.32 0.85 -0.42 2.57 5.85 -1.06 -1.51 115.31 121.90 3g5a h LEU 70 Ca 0.27 -0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.86 3g5a h LEU 70 Cb 0.33 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.12 3g5a h LEU 70 CO -0.30 0.78 0.26 0.25 -0.34 0.00 0.00 178.44 179.09 3g5a h LEU 71 N 0.90 0.49 -1.02 2.25 5.85 0.04 0.45 115.31 124.27 3g5a h LEU 71 Ca 0.21 -0.04 -0.03 0.00 0.84 0.00 0.00 57.88 58.86 3g5a h LEU 71 Cb 0.22 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.09 3g5a h LEU 71 CO -0.01 0.38 0.28 -0.07 -0.34 0.00 0.00 178.44 178.68 3g5a h LEU 72 N 0.56 0.89 -0.32 2.25 3.38 -0.99 0.52 115.31 121.61 3g5a h LEU 72 Ca 0.15 -0.12 -0.19 0.00 0.09 0.00 0.00 57.88 57.82 3g5a h LEU 72 Cb -0.03 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.49 3g5a h LEU 72 CO -0.03 0.79 -0.56 -0.07 0.09 0.00 0.00 178.44 178.66 3g5a h LEU 73 N 0.97 0.93 -0.23 1.67 3.38 -0.89 -0.92 115.31 120.21 3g5a h LEU 73 Ca 0.23 -0.51 -0.02 0.00 0.09 0.00 0.00 57.88 57.67 3g5a h LEU 73 Cb 0.16 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 3g5a h LEU 73 CO -0.02 1.30 0.06 0.22 0.09 0.00 0.00 178.44 180.08 3g5a h TYR 74 N 0.64 0.39 -0.67 1.13 3.20 0.29 -0.10 116.97 121.84 3g5a h TYR 74 Ca 0.01 -0.05 -0.04 0.00 3.14 0.00 0.00 58.73 61.80 3g5a h TYR 74 Cb 1.16 -0.11 -0.03 0.00 1.54 0.00 0.00 36.73 39.29 3g5a h TYR 74 CO 0.07 0.47 0.28 -0.07 -1.64 0.00 0.00 178.16 177.26 3g5a h LEU 75 N 0.20 0.92 -0.50 2.82 3.38 -0.87 0.10 115.31 121.36 3g5a h LEU 75 Ca 0.07 -0.17 0.04 0.00 0.09 0.00 0.00 57.88 57.91 3g5a h LEU 75 Cb 0.27 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.74 3g5a h LEU 75 CO 0.00 0.84 0.27 -1.28 0.09 0.00 0.00 178.44 178.35 3g5a h SER 76 N 0.95 0.40 -0.15 -0.43 0.87 -0.92 -2.03 113.55 112.24 3g5a h SER 76 Ca 0.23 0.02 -0.06 0.00 -1.23 0.00 0.00 61.79 60.75 3g5a h SER 76 Cb 0.20 -0.06 -0.02 0.00 -0.44 0.00 0.00 62.40 62.09 3g5a h SER 76 CO -0.02 0.28 -0.07 0.00 -0.53 0.00 0.00 176.83 176.48 3g5a h LEU 78 N 0.44 0.45 0.35 0.00 3.38 -0.65 0.33 115.31 119.62 3g5a h LEU 78 Ca 0.09 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 3g5a h LEU 78 Cb 0.40 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 3g5a h LEU 78 CO 0.02 0.45 -0.22 -0.25 0.09 0.00 0.00 178.44 178.53 3g5a h TRP 79 N 0.41 -0.57 -0.44 1.13 2.91 -1.03 -1.25 115.95 117.11 3g5a h TRP 79 Ca 0.12 -0.01 0.07 0.00 1.13 0.00 0.00 58.89 60.20 3g5a h TRP 79 Cb 0.12 0.20 -0.06 0.00 -0.51 0.00 0.00 29.16 28.92 3g5a h TRP 79 CO -0.02 -0.34 0.11 1.49 -1.03 0.00 0.00 178.44 178.65 3g5a h GLU 80 N -0.54 0.24 -0.58 2.65 4.81 -1.05 0.85 114.58 120.95 3g5a h GLU 80 Ca -0.04 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.17 3g5a h GLU 80 Cb 0.45 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.75 3g5a h GLU 80 CO 0.03 0.16 0.32 -0.92 -0.73 0.00 0.00 179.01 177.87 3g5a h TYR 81 N 0.25 0.81 0.05 0.92 3.20 -0.85 -3.33 116.97 118.01 3g5a h TYR 81 Ca 0.21 -0.02 -0.35 0.00 3.14 0.00 0.00 58.73 61.71 3g5a h TYR 81 Cb 0.25 -0.26 -0.04 0.00 1.54 0.00 0.00 36.73 38.22 3g5a h TYR 81 CO -0.20 0.59 -2.08 0.66 -1.64 0.00 0.00 178.16 175.50 3g5a n TYR 82 N -4.58 0.75 0.00 -3.82 4.01 -0.48 -5.10 117.16 107.95 3g5a n TYR 82 Ca 0.04 0.20 0.00 0.00 -0.16 0.00 0.00 57.90 57.98 3g5a n TYR 82 Cb 0.09 -1.11 0.00 0.00 -0.31 0.00 0.00 39.34 38.01 3g5a n TYR 82 CO 0.00 0.00 0.00 -0.89 -0.46 0.00 0.00 176.86 175.51 3g5a n ILE 83 N -3.21 0.00 -3.61 -0.72 2.08 0.29 -5.06 119.36 109.14 3g5a n ILE 83 Ca -0.31 0.00 -0.18 0.00 0.56 0.00 0.00 62.75 62.82 3g5a n ILE 83 Cb 1.05 0.00 -0.15 0.00 -0.75 0.00 0.00 39.64 39.80 3g5a n ILE 83 CO 0.00 0.00 0.00 0.12 0.56 0.00 0.00 176.55 177.23 3g5a s PHE 98 N 1.73 -0.20 -1.64 1.39 2.19 -1.26 -4.83 117.98 115.37 3g5a s PHE 98 Ca 0.00 0.44 0.01 0.00 0.33 0.00 0.00 56.93 57.71 3g5a s PHE 98 Cb 0.00 -0.31 0.04 0.00 -1.31 0.00 0.00 43.02 41.43 3g5a s PHE 98 CO 0.00 -0.41 0.87 -0.35 1.83 0.00 0.00 175.22 177.16 3g5a n PRO 99 N 5.32 1.13 -4.35 10.12 -0.04 -1.26 -4.74 135.00 141.18 3g5a n PRO 99 Ca -0.05 -0.14 -0.18 0.00 -0.04 0.00 0.00 63.50 63.08 3g5a n PRO 99 Cb 0.50 -1.21 -0.14 0.00 -0.04 0.00 0.00 33.50 32.61 3g5a n PRO 99 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 3g5a s LEU 100 N -0.70 2.07 -0.01 1.53 2.96 -1.26 -5.01 118.68 118.25 3g5a s LEU 100 Ca 0.03 -0.25 0.09 0.00 -0.22 0.00 0.00 54.13 53.78 3g5a s LEU 100 Cb 0.02 -0.47 -0.14 0.00 0.50 0.00 0.00 46.19 46.10 3g5a s LEU 100 CO 0.01 0.07 0.26 0.35 -1.32 0.00 0.00 176.35 175.72 3g5a n THR 101 N 2.57 0.00 -3.88 3.68 -2.24 -1.26 -4.50 114.28 108.65 3g5a n THR 101 Ca -0.15 -0.24 -0.11 0.00 -2.27 0.00 0.00 64.05 61.28 3g5a n THR 101 Cb 0.56 0.48 -0.12 0.00 -2.10 0.00 0.00 70.33 69.14 3g5a n THR 101 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3g5a s LYS 102 N -2.45 0.19 -0.35 -0.78 -0.14 -1.26 -4.31 119.74 110.64 3g5a s LYS 102 Ca -0.02 -0.12 -0.19 0.00 -1.36 0.00 0.00 55.97 54.29 3g5a s LYS 102 Cb 0.06 0.08 -0.00 0.00 -1.68 0.00 0.00 37.83 36.29 3g5a s LYS 102 CO 0.39 -0.03 0.54 -1.17 -0.76 0.00 0.00 175.35 174.31 3g5a s LEU 103 N -0.48 4.33 0.08 3.17 2.96 -0.38 -4.76 118.68 123.60 3g5a s LEU 103 Ca -0.05 0.01 -0.31 0.00 -0.22 0.00 0.00 54.13 53.55 3g5a s LEU 103 Cb -0.03 -2.62 -0.11 0.00 0.50 0.00 0.00 46.19 43.93 3g5a s LEU 103 CO 0.00 -0.50 1.87 -2.65 -1.32 0.00 0.00 176.35 173.75 3g5a n PRO 104 N 5.80 2.72 -4.05 0.98 -0.02 -1.26 0.12 135.00 139.28 3g5a n PRO 104 Ca -0.04 0.99 -0.14 0.00 -2.02 0.00 0.00 63.50 62.29 3g5a n PRO 104 Cb 0.49 -2.89 -0.14 0.00 -0.02 0.00 0.00 33.50 30.93 3g5a n PRO 104 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3g5a s THR 105 N 3.27 0.27 -0.10 3.45 2.01 -0.05 -1.02 115.64 123.49 3g5a s THR 105 Ca 0.85 -0.21 0.02 0.00 0.31 0.00 0.00 61.69 62.66 3g5a s THR 105 Cb -0.50 -0.25 0.01 0.00 0.01 0.00 0.00 72.50 71.77 3g5a s THR 105 CO 0.40 0.04 -0.16 0.54 -0.69 0.00 0.00 174.62 174.75 3g5a s VAL 106 N -0.18 1.53 -0.11 3.82 0.11 -0.29 0.07 120.40 125.35 3g5a s VAL 106 Ca 0.00 -0.68 0.00 0.00 -2.93 0.00 0.00 61.98 58.37 3g5a s VAL 106 Cb -0.02 -1.37 0.02 0.00 -1.53 0.00 0.00 36.38 33.48 3g5a s VAL 106 CO -0.00 0.44 -0.11 0.12 -3.33 0.00 0.00 175.10 172.23 3g5a s PHE 107 N 0.76 1.65 -0.42 1.54 5.36 0.30 -1.49 117.98 125.69 3g5a s PHE 107 Ca -0.11 -0.81 -0.21 0.00 -0.96 0.00 0.00 56.93 54.85 3g5a s PHE 107 Cb -0.16 -1.29 0.02 0.00 -0.34 0.00 0.00 43.02 41.26 3g5a s PHE 107 CO 0.02 -0.49 0.64 0.42 -1.46 0.00 0.00 175.22 174.35 3g5a s ILE 108 N 1.38 4.84 0.39 3.12 -1.09 -1.26 -1.91 121.20 126.67 3g5a s ILE 108 Ca -0.00 0.20 -0.12 0.00 -2.23 0.00 0.00 60.65 58.50 3g5a s ILE 108 Cb -0.14 -4.17 -0.07 0.00 -1.58 0.00 0.00 42.46 36.50 3g5a s ILE 108 CO -0.06 -0.53 0.76 -0.62 -1.23 0.00 0.00 174.94 173.26 3g5a s ASP 109 N 1.96 6.58 0.03 3.58 2.15 -1.26 -4.94 116.67 124.77 3g5a s ASP 109 Ca 0.23 1.17 -0.01 0.00 0.43 0.00 0.00 52.55 54.37 3g5a s ASP 109 Cb -0.14 -2.34 -0.02 0.00 -0.30 0.00 0.00 42.92 40.12 3g5a s ASP 109 CO 0.18 -0.36 -0.02 -1.00 -0.17 0.00 0.00 175.17 173.80 3g5a s HIS 110 N -2.29 0.30 -0.75 -5.34 3.76 -1.26 -4.24 115.29 105.47 3g5a s HIS 110 Ca 0.52 -0.62 0.19 0.00 -0.15 0.00 0.00 55.06 55.00 3g5a s HIS 110 Cb -0.10 -0.22 0.79 0.00 1.11 0.00 0.00 32.58 34.15 3g5a s HIS 110 CO 0.28 -0.23 1.58 -0.40 -0.85 0.00 0.00 174.74 175.11 3g5a n ASP 111 N 1.30 0.32 -0.53 1.40 5.68 -1.18 -2.36 116.55 121.18 3g5a n ASP 111 Ca -0.22 0.58 0.09 0.00 -0.50 0.00 0.00 54.79 54.74 3g5a n ASP 111 Cb 0.56 -0.65 0.20 0.00 -1.14 0.00 0.00 41.12 40.10 3g5a n ASP 111 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 3g5a n ASP 112 N -1.86 3.12 -4.75 -1.12 5.75 -1.26 -5.02 116.55 111.41 3g5a n ASP 112 Ca 0.03 -3.09 -0.41 0.00 -0.01 0.00 0.00 54.79 51.31 3g5a n ASP 112 Cb 0.19 -0.50 -0.04 0.00 -1.03 0.00 0.00 41.12 39.75 3g5a n ASP 112 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 3g5a s THR 113 N -2.88 3.43 0.31 2.12 2.01 -0.99 -0.48 115.64 119.16 3g5a s THR 113 Ca 0.38 1.32 -0.29 0.00 0.31 0.00 0.00 61.69 63.40 3g5a s THR 113 Cb 0.32 -3.84 -0.12 0.00 0.01 0.00 0.00 72.50 68.86 3g5a s THR 113 CO 0.06 0.27 1.36 0.49 -0.69 0.00 0.00 174.62 176.10 3g5a n PHE 114 N 1.77 2.33 -0.33 4.92 3.72 -1.26 -4.79 117.46 123.81 3g5a n PHE 114 Ca 0.02 0.49 -0.03 0.00 -0.05 0.00 0.00 57.45 57.88 3g5a n PHE 114 Cb 0.44 -2.45 0.11 0.00 -0.94 0.00 0.00 39.48 36.64 3g5a n PHE 114 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 176.76 176.49 3g5a h LYS 115 N 3.22 1.25 -0.81 -1.08 1.63 -1.99 -1.69 116.57 117.10 3g5a h LYS 115 Ca -0.46 -0.12 0.07 0.00 -0.85 0.00 0.00 60.65 59.29 3g5a h LYS 115 Cb 1.27 -0.26 -0.06 0.00 -0.60 0.00 0.00 32.23 32.58 3g5a h LYS 115 CO 0.68 0.89 0.48 1.15 -3.45 0.00 0.00 179.45 179.19 3g5a h THR 116 N 1.27 0.97 -0.30 1.00 2.02 -1.90 -0.53 112.91 115.45 3g5a h THR 116 Ca 0.33 -0.29 -0.03 0.00 0.77 0.00 0.00 66.41 67.18 3g5a h THR 116 Cb -0.03 0.06 -0.01 0.00 -1.74 0.00 0.00 68.15 66.43 3g5a h THR 116 CO -0.06 0.15 0.06 0.25 0.37 0.00 0.00 175.52 176.29 3g5a h LEU 117 N 0.84 0.46 -0.19 2.58 5.85 -1.80 -0.26 115.31 122.80 3g5a h LEU 117 Ca 0.37 -0.25 0.05 0.00 0.84 0.00 0.00 57.88 58.89 3g5a h LEU 117 Cb 0.25 -0.12 -0.07 0.00 0.37 0.00 0.00 40.66 41.09 3g5a h LEU 117 CO -0.20 0.59 -0.29 -0.33 -0.34 0.00 0.00 178.44 177.87 3g5a h GLU 118 N 0.31 -0.32 -0.87 1.25 4.39 -0.99 0.17 114.58 118.53 3g5a h GLU 118 Ca 0.09 0.02 0.08 0.00 0.34 0.00 0.00 59.36 59.90 3g5a h GLU 118 Cb 0.32 0.07 -0.07 0.00 -0.10 0.00 0.00 28.75 28.98 3g5a h GLU 118 CO 0.00 -0.21 0.53 -0.91 -1.16 0.00 0.00 179.01 177.26 3g5a h ASN 119 N -0.33 0.79 -0.23 1.42 2.35 -1.03 -1.84 115.58 116.71 3g5a h ASN 119 Ca 0.11 0.03 -0.05 0.00 -0.55 0.00 0.00 56.30 55.85 3g5a h ASN 119 Cb 0.51 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 38.75 3g5a h ASN 119 CO -0.38 0.47 -0.05 0.15 -1.65 0.00 0.00 177.43 175.98 3g5a h PHE 120 N 0.91 0.49 -0.23 1.19 3.57 -0.24 -1.21 116.94 121.42 3g5a h PHE 120 Ca 0.41 -0.10 0.04 0.00 3.53 0.00 0.00 57.97 61.84 3g5a h PHE 120 Cb 0.30 -0.12 -0.04 0.00 2.79 0.00 0.00 35.95 38.88 3g5a h PHE 120 CO -0.04 0.66 0.00 0.82 -2.23 0.00 0.00 178.31 177.52 3g5a h ILE 121 N 0.18 0.84 -0.23 1.41 2.04 -0.46 0.56 117.51 121.85 3g5a h ILE 121 Ca 0.06 -0.03 -0.00 0.00 1.00 0.00 0.00 64.86 65.89 3g5a h ILE 121 Cb 0.50 0.76 -0.01 0.00 -0.74 0.00 0.00 36.82 37.32 3g5a h ILE 121 CO 0.02 0.01 0.13 -0.33 0.00 0.00 0.00 178.15 177.98 3g5a h GLU 122 N 0.07 0.32 -0.32 2.37 5.08 -1.27 -0.48 114.58 120.35 3g5a h GLU 122 Ca 0.11 -0.04 -0.11 0.00 -1.00 0.00 0.00 59.36 58.33 3g5a h GLU 122 Cb 0.14 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 3g5a h GLU 122 CO -0.18 0.28 -0.22 0.93 -1.00 0.00 0.00 179.01 178.82 3g5a h GLU 123 N 0.26 0.71 0.00 2.33 4.39 -1.04 -2.85 114.58 118.39 3g5a h GLU 123 Ca 0.08 -0.34 -0.08 0.00 0.34 0.00 0.00 59.36 59.36 3g5a h GLU 123 Cb 0.06 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.69 3g5a h GLU 123 CO -0.01 0.95 -0.37 1.79 -1.16 0.00 0.00 179.01 180.20 3g5a h THR 124 N 0.48 1.14 -0.55 1.13 1.35 -0.86 -0.81 112.91 114.79 3g5a h THR 124 Ca 0.06 -1.33 -0.05 0.00 -0.55 0.00 0.00 66.41 64.54 3g5a h THR 124 Cb 0.77 1.74 -0.03 0.00 -1.73 0.00 0.00 68.15 68.91 3g5a h THR 124 CO 0.06 0.37 0.16 0.77 -0.25 0.00 0.00 175.52 176.62 3g5a h SER 125 N 0.00 0.78 -0.01 5.36 4.64 -0.90 0.80 113.55 124.22 3g5a h SER 125 Ca -0.00 -0.13 -0.00 0.00 -0.47 0.00 0.00 61.79 61.19 3g5a h SER 125 Cb 0.71 -0.20 -0.00 0.00 -0.31 0.00 0.00 62.40 62.60 3g5a h SER 125 CO 0.05 0.75 0.00 -0.07 -0.87 0.00 0.00 176.83 176.69 3g5a h LEU 126 N 0.81 0.01 -0.36 5.97 3.38 -1.24 -1.22 115.31 122.66 3g5a h LEU 126 Ca 0.18 -0.30 0.04 0.00 0.09 0.00 0.00 57.88 57.90 3g5a h LEU 126 Cb 0.26 -0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.97 3g5a h LEU 126 CO -0.01 0.31 0.13 -0.09 0.09 0.00 0.00 178.44 178.87 3g5a h ARG 127 N -0.28 0.27 -0.44 1.13 2.43 -0.70 -3.02 114.38 113.77 3g5a h ARG 127 Ca 0.00 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 3g5a h ARG 127 Cb 0.30 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.79 3g5a h ARG 127 CO 0.00 0.18 0.00 0.66 -1.51 0.00 0.00 179.97 179.30 3g5a n TYR 128 N -5.01 0.58 -3.62 2.20 4.01 0.23 -2.13 117.16 113.42 3g5a n TYR 128 Ca 0.01 -0.29 -0.20 0.00 -0.16 0.00 0.00 57.90 57.26 3g5a n TYR 128 Cb 0.13 0.00 0.05 0.00 -0.31 0.00 0.00 39.34 39.21 3g5a n TYR 128 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 3g5a n SER 129 N 0.93 -1.45 -4.80 7.72 7.64 -1.04 -4.72 113.62 117.90 3g5a n SER 129 Ca 0.17 -0.76 -0.35 0.00 1.01 0.00 0.00 58.87 58.93 3g5a n SER 129 Cb 0.43 -4.37 -0.06 0.00 -1.01 0.00 0.00 64.21 59.19 3g5a n SER 129 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3g5a s LEU 130 N -6.57 4.22 -0.78 -3.43 1.43 -0.49 -1.25 118.68 111.82 3g5a s LEU 130 Ca 0.01 1.67 -0.13 0.00 -1.03 0.00 0.00 54.13 54.64 3g5a s LEU 130 Cb -0.00 -4.05 0.20 0.00 0.03 0.00 0.00 46.19 42.37 3g5a s LEU 130 CO 0.79 -0.13 0.70 -0.55 0.23 0.00 0.00 176.35 177.40 3g5a s SER 131 N -1.81 6.53 -0.25 2.29 0.15 0.12 -4.73 113.70 116.00 3g5a s SER 131 Ca 0.52 -2.63 -0.26 0.00 0.70 0.00 0.00 55.95 54.28 3g5a s SER 131 Cb -0.15 -2.17 0.00 0.00 -1.71 0.00 0.00 66.02 61.99 3g5a s SER 131 CO 0.20 -0.58 0.90 -0.22 1.20 0.00 0.00 173.24 174.74 3g5a s LEU 132 N 0.27 4.08 -0.08 3.45 2.96 -1.26 -0.87 118.68 127.23 3g5a s LEU 132 Ca 0.16 1.11 -0.15 0.00 -0.22 0.00 0.00 54.13 55.03 3g5a s LEU 132 Cb -0.13 -3.30 -0.05 0.00 0.50 0.00 0.00 46.19 43.21 3g5a s LEU 132 CO -0.07 -0.58 0.40 -0.47 -1.32 0.00 0.00 176.35 174.30 3g5a s TYR 133 N 2.99 3.59 -0.08 5.38 5.04 0.11 -4.97 117.35 129.41 3g5a s TYR 133 Ca 0.38 0.85 0.04 0.00 -2.44 0.00 0.00 57.07 55.90 3g5a s TYR 133 Cb -0.15 -2.38 0.00 0.00 0.35 0.00 0.00 41.96 39.79 3g5a s TYR 133 CO 0.08 0.40 -0.20 -1.21 -1.34 0.00 0.00 175.55 173.28 3g5a s GLU 134 N -0.17 2.49 0.80 4.97 2.02 -1.26 -0.54 118.70 127.02 3g5a s GLU 134 Ca 0.22 -0.70 -0.12 0.00 0.02 0.00 0.00 54.97 54.39 3g5a s GLU 134 Cb -0.15 -1.94 0.07 0.00 0.10 0.00 0.00 34.13 32.21 3g5a s GLU 134 CO 0.10 0.14 1.12 -1.54 0.02 0.00 0.00 175.26 175.10 3g5a s SER 135 N 0.41 4.53 -0.26 -0.19 1.04 -0.80 -4.97 113.70 113.46 3g5a s SER 135 Ca -0.16 1.07 -0.29 0.00 0.48 0.00 0.00 55.95 57.05 3g5a s SER 135 Cb -0.17 -1.73 0.01 0.00 0.10 0.00 0.00 66.02 64.24 3g5a s SER 135 CO 0.07 -1.92 1.03 -0.62 0.98 0.00 0.00 173.24 172.78 3g5a s ASP 136 N -4.21 7.03 0.55 7.02 2.15 -1.26 -4.15 116.67 123.81 3g5a s ASP 136 Ca 0.61 1.25 0.33 0.00 0.43 0.00 0.00 52.55 55.17 3g5a s ASP 136 Cb -0.13 -2.53 1.53 0.00 -0.30 0.00 0.00 42.92 41.49 3g5a s ASP 136 CO 0.52 -0.72 2.05 0.08 -0.17 0.00 0.00 175.17 176.93 3g5a h ARG 137 N 7.67 0.00 -0.59 4.34 -0.00 -1.92 -2.47 114.38 121.40 3g5a h ARG 137 Ca -0.20 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.78 3g5a h ARG 137 Cb 1.06 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 31.03 3g5a h ARG 137 CO 0.99 0.05 0.00 -0.25 -0.00 0.00 0.00 179.97 180.76 3g5a n ASP 138 N -3.23 3.37 -4.71 0.08 8.00 -1.26 -3.11 116.55 115.69 3g5a n ASP 138 Ca -0.01 -1.99 -0.38 0.00 0.71 0.00 0.00 54.79 53.13 3g5a n ASP 138 Cb 0.27 -0.39 -0.06 0.00 -0.02 0.00 0.00 41.12 40.91 3g5a n ASP 138 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 3g5a s LYS 139 N -1.22 4.30 -0.59 -1.24 2.20 -0.93 -5.05 119.74 117.21 3g5a s LYS 139 Ca 0.42 0.35 -0.21 0.00 -0.36 0.00 0.00 55.97 56.17 3g5a s LYS 139 Cb 0.22 -3.45 0.07 0.00 -1.51 0.00 0.00 37.83 33.16 3g5a s LYS 139 CO 0.29 0.13 0.83 0.00 -0.36 0.00 0.00 175.35 176.24 3g5a s GLU 141 N 3.43 1.21 0.82 0.00 -1.05 -1.26 -5.15 118.70 116.70 3g5a s GLU 141 Ca 0.20 -0.45 -0.12 0.00 -0.15 0.00 0.00 54.97 54.46 3g5a s GLU 141 Cb -0.18 0.55 0.08 0.00 -0.44 0.00 0.00 34.13 34.14 3g5a s GLU 141 CO 0.12 -0.50 1.11 0.95 0.95 0.00 0.00 175.26 177.89 3g5a s THR 142 N -3.49 2.75 0.16 1.83 -4.23 -1.26 -4.86 115.64 106.54 3g5a s THR 142 Ca 0.00 0.24 -0.15 0.00 -1.18 0.00 0.00 61.69 60.60 3g5a s THR 142 Cb -0.00 -3.04 0.03 0.00 1.34 0.00 0.00 72.50 70.83 3g5a s THR 142 CO -0.10 -0.32 1.78 0.24 -0.54 0.00 0.00 174.62 175.68 3g5a h MET 143 N -1.15 0.64 -0.58 3.99 0.00 -2.01 -0.48 114.93 115.35 3g5a h MET 143 Ca -0.48 -0.07 0.10 0.00 0.00 0.00 0.00 59.70 59.26 3g5a h MET 143 Cb 1.29 -0.13 -0.07 0.00 0.00 0.00 0.00 31.60 32.68 3g5a h MET 143 CO 0.61 0.49 0.17 0.00 0.00 0.00 0.00 176.91 178.18 3g5a h ALA 144 N 1.12 0.72 -0.70 6.32 0.00 -1.93 0.03 119.26 124.82 3g5a h ALA 144 Ca 0.17 0.10 -0.08 0.00 0.00 0.00 0.00 54.91 55.10 3g5a h ALA 144 Cb 0.02 0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 3g5a h ALA 144 CO -0.03 -0.25 0.14 0.93 0.00 0.00 0.00 179.25 180.04 3g5a h GLU 145 N 0.33 1.13 -0.63 0.00 5.08 -1.84 -1.35 114.58 117.30 3g5a h GLU 145 Ca 0.30 -0.29 -0.06 0.00 -1.00 0.00 0.00 59.36 58.30 3g5a h GLU 145 Cb 0.39 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.48 3g5a h GLU 145 CO -0.33 1.01 0.14 0.00 -1.00 0.00 0.00 179.01 178.83 3g5a h ALA 146 N 1.08 0.83 0.00 3.43 0.00 -0.55 -2.40 119.26 121.65 3g5a h ALA 146 Ca 0.22 -0.24 -0.09 0.00 0.00 0.00 0.00 54.91 54.79 3g5a h ALA 146 Cb 0.41 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 3g5a h ALA 146 CO 0.01 0.56 -0.44 0.74 0.00 0.00 0.00 179.25 180.12 3g5a h PHE 147 N 0.94 0.00 -0.43 0.00 0.04 -0.81 -2.18 116.94 114.49 3g5a h PHE 147 Ca 0.20 0.00 -0.03 0.00 2.80 0.00 0.00 57.97 60.93 3g5a h PHE 147 Cb 0.38 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.51 3g5a h PHE 147 CO 0.03 0.44 0.14 1.49 -0.60 0.00 0.00 178.31 179.80 3g5a h GLU 148 N 0.00 0.66 -0.66 1.51 4.57 -0.85 -0.98 114.58 118.83 3g5a h GLU 148 Ca -0.00 -0.14 -0.01 0.00 -1.18 0.00 0.00 59.36 58.03 3g5a h GLU 148 Cb 0.82 -0.10 -0.03 0.00 -0.16 0.00 0.00 28.75 29.28 3g5a h GLU 148 CO 0.06 0.64 0.36 1.15 -1.18 0.00 0.00 179.01 180.04 3g5a h THR 149 N 0.55 1.20 -0.51 0.32 2.02 -1.31 -2.13 112.91 113.05 3g5a h THR 149 Ca 0.14 -0.51 0.06 0.00 0.77 0.00 0.00 66.41 66.87 3g5a h THR 149 Cb 0.25 0.34 -0.05 0.00 -1.74 0.00 0.00 68.15 66.95 3g5a h THR 149 CO -0.01 0.22 0.23 0.15 0.37 0.00 0.00 175.52 176.49 3g5a h PHE 150 N 0.90 0.42 0.00 3.16 3.57 -1.19 -1.50 116.94 122.30 3g5a h PHE 150 Ca 0.23 0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.68 3g5a h PHE 150 Cb 0.03 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 38.65 3g5a h PHE 150 CO -0.01 0.18 -0.34 -0.07 -2.23 0.00 0.00 178.31 175.84 3g5a h LEU 151 N 0.45 0.00 -0.53 0.59 3.38 -0.98 0.12 115.31 118.34 3g5a h LEU 151 Ca 0.24 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.15 3g5a h LEU 151 Cb 0.19 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 3g5a h LEU 151 CO -0.20 0.34 0.12 1.56 0.09 0.00 0.00 178.44 180.35 3g5a h GLN 152 N 0.00 0.86 -0.42 1.13 4.20 -0.98 -1.86 115.11 118.03 3g5a h GLN 152 Ca -0.00 -0.21 -0.15 0.00 0.06 0.00 0.00 58.65 58.34 3g5a h GLN 152 Cb 0.63 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 28.29 3g5a h GLN 152 CO 0.04 0.82 -0.32 0.28 -0.67 0.00 0.00 178.83 178.99 3g5a h VAL 153 N 0.75 1.27 -2.78 -0.54 2.07 -0.61 -3.36 116.25 113.05 3g5a h VAL 153 Ca 0.16 -1.49 -0.61 0.00 0.82 0.00 0.00 66.70 65.58 3g5a h VAL 153 Cb 0.36 1.28 -0.42 0.00 -1.52 0.00 0.00 31.29 31.00 3g5a h VAL 153 CO 0.00 0.51 -0.63 0.49 0.02 0.00 0.00 177.57 177.96 3g5a n PHE 154 N -4.08 2.86 0.30 1.57 3.72 0.36 -4.95 117.46 117.24 3g5a n PHE 154 Ca -0.01 -4.17 0.09 0.00 -0.05 0.00 0.00 57.45 53.31 3g5a n PHE 154 Cb 0.51 -0.52 0.40 0.00 -0.94 0.00 0.00 39.48 38.93 3g5a n PHE 154 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 3g5a n PRO 155 N 1.76 0.11 0.15 -1.08 -0.04 -0.70 -2.05 135.00 133.15 3g5a n PRO 155 Ca 0.23 0.45 0.13 0.00 -0.04 0.00 0.00 63.50 64.27 3g5a n PRO 155 Cb 0.38 -1.76 0.40 0.00 -0.04 0.00 0.00 33.50 32.48 3g5a n PRO 155 CO 0.00 0.00 0.00 1.05 -0.04 0.00 0.00 175.50 176.51 3g5a h GLU 156 N 0.00 0.00 -6.23 0.54 9.09 -1.88 -3.45 114.58 112.65 3g5a h GLU 156 Ca 0.00 0.00 -0.55 0.00 0.05 0.00 0.00 59.36 58.86 3g5a h GLU 156 Cb 0.19 0.00 0.01 0.00 -1.65 0.00 0.00 28.75 27.30 3g5a h GLU 156 CO 0.00 0.00 1.29 0.99 0.05 0.00 0.00 179.01 181.34 3g5a s THR 157 N -3.22 3.14 -0.08 -1.06 2.01 -0.87 -4.06 115.64 111.50 3g5a s THR 157 Ca 0.08 0.16 0.16 0.00 0.31 0.00 0.00 61.69 62.39 3g5a s THR 157 Cb 0.10 -3.13 -0.23 0.00 0.01 0.00 0.00 72.50 69.25 3g5a s THR 157 CO 0.57 -0.04 0.23 0.29 -0.69 0.00 0.00 174.62 174.98 3g5a n LYS 158 N 7.89 0.92 -3.72 4.92 5.02 0.82 -4.97 118.16 129.03 3g5a n LYS 158 Ca 0.23 -0.09 -0.14 0.00 -2.02 0.00 0.00 58.31 56.29 3g5a n LYS 158 Cb 0.43 -1.41 -0.08 0.00 -0.02 0.00 0.00 35.03 33.95 3g5a n LYS 158 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3g5a s ALA 159 N -2.83 -0.95 -0.06 7.82 0.00 -0.54 -1.51 121.76 123.69 3g5a s ALA 159 Ca -0.07 0.59 0.01 0.00 0.00 0.00 0.00 51.96 52.49 3g5a s ALA 159 Cb 0.08 -0.05 0.02 0.00 0.00 0.00 0.00 23.12 23.17 3g5a s ALA 159 CO 0.68 -0.26 -0.08 0.42 0.00 0.00 0.00 175.76 176.52 3g5a s ILE 160 N -1.06 0.82 0.12 0.00 1.01 0.04 -1.79 121.20 120.35 3g5a s ILE 160 Ca -0.11 -0.27 -0.30 0.00 0.00 0.00 0.00 60.65 59.97 3g5a s ILE 160 Cb -0.04 -0.81 -0.06 0.00 0.01 0.00 0.00 42.46 41.56 3g5a s ILE 160 CO 0.04 0.29 0.94 -0.69 0.00 0.00 0.00 174.94 175.53 3g5a s VAL 161 N 0.94 4.48 -0.04 2.92 1.01 -0.49 -0.85 120.40 128.37 3g5a s VAL 161 Ca -0.10 2.04 0.01 0.00 0.00 0.00 0.00 61.98 63.93 3g5a s VAL 161 Cb -0.15 -4.31 0.02 0.00 0.00 0.00 0.00 36.38 31.94 3g5a s VAL 161 CO 0.00 0.34 -0.06 -0.63 0.00 0.00 0.00 175.10 174.75 3g5a s ILE 162 N -0.12 0.63 -0.24 2.22 1.01 -0.01 -0.88 121.20 123.81 3g5a s ILE 162 Ca 0.46 -0.20 -0.02 0.00 0.00 0.00 0.00 60.65 60.88 3g5a s ILE 162 Cb -0.23 -0.62 0.05 0.00 0.01 0.00 0.00 42.46 41.66 3g5a s ILE 162 CO 0.29 0.24 2.49 0.61 0.00 0.00 0.00 174.94 178.57 3g5a n GLY 163 N 3.84 3.69 3.84 6.18 0.00 -1.26 -4.40 105.19 117.08 3g5a n GLY 163 Ca -0.24 -1.12 -0.34 0.00 0.00 0.00 0.00 46.02 44.32 3g5a n GLY 163 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3g5a s ILE 164 N -1.30 4.77 0.12 -0.61 2.07 -1.26 -4.44 121.20 120.55 3g5a s ILE 164 Ca 0.39 0.88 0.10 0.00 -1.41 0.00 0.00 60.65 60.60 3g5a s ILE 164 Cb 0.25 -3.71 -0.04 0.00 0.13 0.00 0.00 42.46 39.09 3g5a s ILE 164 CO -0.06 0.08 -0.24 -0.13 -1.91 0.00 0.00 174.94 172.68 3g5a s ARG 165 N -2.35 1.29 0.34 3.50 0.52 -1.26 -3.45 118.95 117.54 3g5a s ARG 165 Ca 0.44 -1.26 0.11 0.00 -0.52 0.00 0.00 55.73 54.51 3g5a s ARG 165 Cb -0.14 -1.68 0.92 0.00 0.52 0.00 0.00 34.95 34.57 3g5a s ARG 165 CO 0.20 0.40 1.75 0.45 0.02 0.00 0.00 175.30 178.11 3g5a h HIS 166 N 4.00 0.92 0.00 -0.53 3.86 -1.03 -0.82 115.15 121.54 3g5a h HIS 166 Ca -0.49 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 58.75 3g5a h HIS 166 Cb 1.17 -0.27 0.00 0.00 1.06 0.00 0.00 27.41 29.38 3g5a h HIS 166 CO 0.60 0.10 0.00 0.25 0.86 0.00 0.00 177.93 179.74 3g5a n THR 167 N -4.79 0.88 -2.10 2.45 -2.24 -1.26 -3.28 114.28 103.93 3g5a n THR 167 Ca 0.26 0.26 -0.34 0.00 -2.27 0.00 0.00 64.05 61.95 3g5a n THR 167 Cb 0.75 -1.17 0.01 0.00 -2.10 0.00 0.00 70.33 67.83 3g5a n THR 167 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 3g5a s ASP 168 N -4.02 5.56 0.16 3.42 1.01 -0.31 -4.93 116.67 117.56 3g5a s ASP 168 Ca 0.04 2.08 -0.33 0.00 0.71 0.00 0.00 52.55 55.05 3g5a s ASP 168 Cb 0.09 -2.57 -0.15 0.00 1.01 0.00 0.00 42.92 41.30 3g5a s ASP 168 CO 0.36 -1.32 1.25 -2.65 0.21 0.00 0.00 175.17 173.01 3g5a n PRO 169 N -1.69 1.32 -1.20 8.23 -0.02 -1.26 -0.70 135.00 139.69 3g5a n PRO 169 Ca 0.11 0.47 -0.07 0.00 -2.02 0.00 0.00 63.50 61.99 3g5a n PRO 169 Cb 0.51 -2.03 -0.03 0.00 -0.02 0.00 0.00 33.50 31.93 3g5a n PRO 169 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 3g5a n PHE 170 N 1.84 0.00 0.38 6.00 3.72 -1.26 -4.89 117.46 123.25 3g5a n PHE 170 Ca 0.15 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.67 3g5a n PHE 170 Cb 0.25 -1.84 0.19 0.00 -0.94 0.00 0.00 39.48 37.14 3g5a n PHE 170 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 3g5a h GLY 171 N 0.00 0.00 0.69 1.37 0.00 -1.05 -3.41 103.07 100.67 3g5a h GLY 171 Ca -0.14 0.00 0.05 0.00 0.00 0.00 0.00 47.33 47.24 3g5a h GLY 171 CO 0.21 0.00 0.24 -2.09 0.00 0.00 0.00 176.54 174.90 3g5a h GLU 172 N 0.00 0.45 -0.35 4.80 4.81 -1.76 -2.91 114.58 119.62 3g5a h GLU 172 Ca 0.00 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 3g5a h GLU 172 Cb 0.88 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 30.15 3g5a h GLU 172 CO 0.00 0.30 0.00 0.72 -0.73 0.00 0.00 179.01 179.30 3g5a n HIS 173 N -4.91 0.44 -1.85 0.92 8.25 -1.26 -4.99 115.22 111.82 3g5a n HIS 173 Ca 0.04 -0.22 -0.34 0.00 -0.26 0.00 0.00 57.72 56.95 3g5a n HIS 173 Cb 0.15 0.00 0.04 0.00 1.12 0.00 0.00 29.99 31.30 3g5a n HIS 173 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3g5a s LEU 174 N -1.53 3.49 0.18 2.41 1.43 -1.10 -5.06 118.68 118.50 3g5a s LEU 174 Ca 0.38 2.12 0.09 0.00 -1.03 0.00 0.00 54.13 55.68 3g5a s LEU 174 Cb 0.22 -4.57 -0.04 0.00 0.03 0.00 0.00 46.19 41.83 3g5a s LEU 174 CO 0.31 -1.61 -0.18 -0.54 0.23 0.00 0.00 176.35 174.56 3g5a s LYS 175 N -3.82 1.33 0.46 1.70 1.02 -1.26 -5.06 119.74 114.11 3g5a s LYS 175 Ca 0.70 -1.47 0.14 0.00 0.02 0.00 0.00 55.97 55.35 3g5a s LYS 175 Cb -0.23 -1.35 1.08 0.00 -0.52 0.00 0.00 37.83 36.80 3g5a s LYS 175 CO 0.38 0.27 2.05 -1.35 -0.92 0.00 0.00 175.35 175.78 3g5a h PRO 176 N 3.06 0.29 -3.93 -1.68 0.11 -1.92 -3.39 132.00 124.54 3g5a h PRO 176 Ca -0.42 -0.02 -0.46 0.00 0.11 0.00 0.00 66.00 65.22 3g5a h PRO 176 Cb 1.21 -0.07 -0.37 0.00 0.11 0.00 0.00 31.00 31.89 3g5a h PRO 176 CO 0.53 0.20 -0.78 0.42 -0.21 0.00 0.00 178.00 178.16 3g5a s ILE 177 N -5.30 0.60 -0.16 4.15 1.01 -1.26 -0.11 121.20 120.13 3g5a s ILE 177 Ca -0.07 -0.05 -0.28 0.00 0.00 0.00 0.00 60.65 60.25 3g5a s ILE 177 Cb 0.18 -0.69 0.09 0.00 0.01 0.00 0.00 42.46 42.05 3g5a s ILE 177 CO 0.72 0.28 0.79 0.00 0.00 0.00 0.00 174.94 176.74 3g5a s GLN 178 N 1.66 0.84 0.66 2.79 -2.07 -0.82 -5.01 119.66 117.71 3g5a s GLN 178 Ca 0.01 0.50 -0.17 0.00 -1.82 0.00 0.00 55.36 53.88 3g5a s GLN 178 Cb -0.13 0.40 -0.00 0.00 -1.09 0.00 0.00 33.01 32.19 3g5a s GLN 178 CO -0.05 -0.20 1.25 0.15 -1.32 0.00 0.00 175.29 175.12 3g5a s LYS 179 N -0.52 2.53 0.94 9.60 1.02 -1.26 -0.08 119.74 131.97 3g5a s LYS 179 Ca -0.04 1.92 -0.11 0.00 0.02 0.00 0.00 55.97 57.76 3g5a s LYS 179 Cb -0.02 -1.86 0.13 0.00 -0.52 0.00 0.00 37.83 35.55 3g5a s LYS 179 CO 0.04 -1.57 0.95 0.25 -0.92 0.00 0.00 175.35 174.10 3g5a n THR 180 N -2.06 0.00 -1.40 2.17 -2.24 -0.59 -4.73 114.28 105.42 3g5a n THR 180 Ca 0.15 -0.07 -0.29 0.00 -2.27 0.00 0.00 64.05 61.57 3g5a n THR 180 Cb 0.49 -0.90 0.17 0.00 -2.10 0.00 0.00 70.33 67.99 3g5a n THR 180 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 3g5a s ASP 181 N -2.47 2.78 0.46 3.42 1.01 -1.26 -4.92 116.67 115.68 3g5a s ASP 181 Ca 0.64 0.89 0.15 0.00 0.71 0.00 0.00 52.55 54.94 3g5a s ASP 181 Cb -0.23 -1.37 1.11 0.00 1.01 0.00 0.00 42.92 43.44 3g5a s ASP 181 CO 0.61 -3.00 2.03 0.00 0.21 0.00 0.00 175.17 175.02 3g5a h ALA 182 N -1.81 2.04 -0.12 5.23 0.00 -1.96 -2.48 119.26 120.16 3g5a h ALA 182 Ca -0.50 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.40 3g5a h ALA 182 Cb 1.32 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.05 3g5a h ALA 182 CO 0.54 -0.13 0.00 0.27 0.00 0.00 0.00 179.25 179.93 3g5a n ASN 183 N -4.47 1.37 -4.81 0.00 6.94 -1.26 -4.86 115.26 108.17 3g5a n ASN 183 Ca 0.06 -1.62 -0.22 0.00 -0.02 0.00 0.00 54.58 52.78 3g5a n ASN 183 Cb 0.30 -0.07 -0.05 0.00 -2.36 0.00 0.00 39.78 37.60 3g5a n ASN 183 CO 0.00 0.00 0.00 0.26 -1.03 0.00 0.00 177.26 176.49 3g5a s TRP 184 N -1.85 2.99 0.62 -2.53 0.52 -0.94 -4.94 118.94 112.81 3g5a s TRP 184 Ca 0.33 -0.19 -0.19 0.00 0.02 0.00 0.00 56.10 56.07 3g5a s TRP 184 Cb 0.17 -1.51 -0.02 0.00 -1.15 0.00 0.00 33.47 30.96 3g5a s TRP 184 CO 0.27 0.42 1.29 -0.35 0.02 0.00 0.00 176.95 178.60 3g5a n PRO 185 N -1.21 1.23 -2.71 4.98 -0.04 -1.26 -4.87 135.00 131.11 3g5a n PRO 185 Ca -0.06 0.47 -0.43 0.00 -0.04 0.00 0.00 63.50 63.45 3g5a n PRO 185 Cb 0.59 -2.52 -0.03 0.00 -0.04 0.00 0.00 33.50 31.49 3g5a n PRO 185 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 3g5a s ASP 186 N -1.27 6.53 0.28 3.54 2.15 -1.26 -4.78 116.67 121.87 3g5a s ASP 186 Ca 0.80 0.22 -0.17 0.00 0.43 0.00 0.00 52.55 53.83 3g5a s ASP 186 Cb -0.39 -2.50 0.01 0.00 -0.30 0.00 0.00 42.92 39.75 3g5a s ASP 186 CO 0.42 -1.18 0.63 0.72 -0.17 0.00 0.00 175.17 175.60 3g5a s PHE 187 N 4.15 0.08 -0.08 -5.34 -0.71 -1.26 -5.01 117.98 109.81 3g5a s PHE 187 Ca 0.41 -0.53 -0.23 0.00 -1.04 0.00 0.00 56.93 55.54 3g5a s PHE 187 Cb -0.09 0.51 -0.03 0.00 -1.21 0.00 0.00 43.02 42.20 3g5a s PHE 187 CO 0.28 -1.19 0.70 0.71 -1.34 0.00 0.00 175.22 174.39 3g5a s TYR 188 N -3.74 3.55 -0.04 3.49 2.02 -0.57 -1.55 117.35 120.52 3g5a s TYR 188 Ca 0.16 1.23 -0.30 0.00 -0.37 0.00 0.00 57.07 57.79 3g5a s TYR 188 Cb -0.04 -2.82 -0.03 0.00 -0.40 0.00 0.00 41.96 38.68 3g5a s TYR 188 CO 0.09 0.05 1.02 1.03 -1.57 0.00 0.00 175.55 176.17 3g5a s ARG 189 N 0.97 4.49 -0.29 -0.62 0.52 0.89 -0.78 118.95 124.13 3g5a s ARG 189 Ca 0.37 1.46 -0.04 0.00 -0.52 0.00 0.00 55.73 57.00 3g5a s ARG 189 Cb -0.17 -3.49 0.03 0.00 0.52 0.00 0.00 34.95 31.84 3g5a s ARG 189 CO 0.17 -0.19 0.03 -0.51 0.02 0.00 0.00 175.30 174.82 3g5a s LEU 190 N 1.46 3.80 -0.58 2.53 1.43 -0.03 -1.94 118.68 125.36 3g5a s LEU 190 Ca 0.51 -1.01 0.05 0.00 -1.03 0.00 0.00 54.13 52.66 3g5a s LEU 190 Cb -0.21 -1.77 0.20 0.00 0.03 0.00 0.00 46.19 44.43 3g5a s LEU 190 CO 0.24 -0.23 0.52 0.00 0.23 0.00 0.00 176.35 177.12 3g5a n GLN 191 N 4.73 1.46 -0.09 1.70 6.02 0.84 -0.83 117.38 131.22 3g5a n GLN 191 Ca -0.14 -4.06 0.08 0.00 -0.01 0.00 0.00 57.00 52.87 3g5a n GLN 191 Cb 0.46 -1.99 0.31 0.00 1.02 0.00 0.00 30.24 30.03 3g5a n GLN 191 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 177.06 175.70 3g5a n PRO 192 N 1.83 1.60 -0.13 -1.09 -0.05 -1.26 -3.82 135.00 132.08 3g5a n PRO 192 Ca 0.25 -0.91 0.05 0.00 -0.05 0.00 0.00 63.50 62.84 3g5a n PRO 192 Cb 0.42 -1.31 0.12 0.00 -0.05 0.00 0.00 33.50 32.67 3g5a n PRO 192 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 175.50 175.34 3g5a n LEU 193 N 0.17 2.64 -0.08 1.53 7.94 -1.26 -4.39 117.00 123.54 3g5a n LEU 193 Ca 0.13 -1.83 0.09 0.00 -1.11 0.00 0.00 56.01 53.30 3g5a n LEU 193 Cb 0.26 -0.17 0.46 0.00 0.53 0.00 0.00 43.42 44.50 3g5a n LEU 193 CO 0.10 0.64 1.19 -0.07 -1.11 0.00 0.00 177.39 178.14 3g5a h LEU 194 N 1.80 0.45 -0.30 -1.96 3.38 -1.66 -1.69 115.31 115.33 3g5a h LEU 194 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3g5a h LEU 194 Cb 0.65 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.31 3g5a h LEU 194 CO 0.00 0.28 -0.15 0.00 0.09 0.00 0.00 178.44 178.67 3g5a n HIS 195 N -4.48 0.00 -2.56 1.13 1.44 -1.26 -0.58 115.22 108.92 3g5a n HIS 195 Ca 0.09 0.00 -0.41 0.00 -2.01 0.00 0.00 57.72 55.39 3g5a n HIS 195 Cb 0.28 -0.17 -0.04 0.00 0.12 0.00 0.00 29.99 30.17 3g5a n HIS 195 CO 0.00 0.00 0.00 -1.58 -2.81 0.00 0.00 176.34 171.95 3g5a s TRP 196 N -2.49 3.67 0.27 -1.40 0.52 -0.64 -5.02 118.94 113.85 3g5a s TRP 196 Ca 0.27 1.69 0.08 0.00 0.02 0.00 0.00 56.10 58.16 3g5a s TRP 196 Cb 0.20 -3.22 -0.04 0.00 -1.15 0.00 0.00 33.47 29.27 3g5a s TRP 196 CO 0.49 -0.37 0.18 -0.80 0.02 0.00 0.00 176.95 176.46 3g5a s ASN 197 N -0.43 5.26 0.25 2.95 -0.87 -1.26 -4.71 114.94 116.13 3g5a s ASN 197 Ca 0.47 -0.40 -0.03 0.00 -1.57 0.00 0.00 52.86 51.33 3g5a s ASN 197 Cb -0.29 -1.19 0.50 0.00 -0.02 0.00 0.00 41.25 40.25 3g5a s ASN 197 CO 0.35 -0.10 1.72 0.25 -2.57 0.00 0.00 177.10 176.75 3g5a h LEU 198 N 1.52 0.27 -1.24 0.60 5.85 -1.96 -0.77 115.31 119.59 3g5a h LEU 198 Ca -0.47 0.12 0.03 0.00 0.84 0.00 0.00 57.88 58.40 3g5a h LEU 198 Cb 1.24 0.10 -0.04 0.00 0.37 0.00 0.00 40.66 42.33 3g5a h LEU 198 CO 0.60 0.08 0.53 0.00 -0.34 0.00 0.00 178.44 179.32 3g5a h ALA 199 N 1.58 1.50 -0.44 1.25 0.00 -1.86 -1.95 119.26 119.34 3g5a h ALA 199 Ca 0.44 -0.04 -0.12 0.00 0.00 0.00 0.00 54.91 55.19 3g5a h ALA 199 Cb 0.69 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 3g5a h ALA 199 CO -0.43 0.43 -0.18 -0.91 0.00 0.00 0.00 179.25 178.16 3g5a h ASN 200 N 1.01 0.93 -0.03 0.00 -0.26 -1.50 -2.39 115.58 113.33 3g5a h ASN 200 Ca 0.31 -0.39 0.03 0.00 -0.56 0.00 0.00 56.30 55.69 3g5a h ASN 200 Cb 0.01 -0.26 -0.04 0.00 -1.06 0.00 0.00 38.32 36.98 3g5a h ASN 200 CO -0.09 1.11 -0.16 0.40 -1.06 0.00 0.00 177.43 177.63 3g5a h ILE 201 N 0.74 0.60 -0.45 2.81 1.08 -0.96 -2.22 117.51 119.10 3g5a h ILE 201 Ca 0.10 0.00 -0.02 0.00 -0.39 0.00 0.00 64.86 64.55 3g5a h ILE 201 Cb 0.75 0.60 -0.02 0.00 -3.07 0.00 0.00 36.82 35.08 3g5a h ILE 201 CO 0.06 0.00 0.21 -0.50 -0.69 0.00 0.00 178.15 177.23 3g5a h TRP 202 N -0.25 0.66 0.08 1.37 -0.00 -1.33 -1.68 115.95 114.80 3g5a h TRP 202 Ca 0.06 -0.04 0.02 0.00 -0.00 0.00 0.00 58.89 58.94 3g5a h TRP 202 Cb 0.34 -0.20 -0.04 0.00 -0.00 0.00 0.00 29.16 29.26 3g5a h TRP 202 CO -0.23 0.54 -0.26 1.03 -0.00 0.00 0.00 178.44 179.53 3g5a h SER 203 N 0.59 -0.74 -0.21 -3.49 0.87 -1.32 0.15 113.55 109.39 3g5a h SER 203 Ca 0.15 0.09 -0.06 0.00 -1.23 0.00 0.00 61.79 60.75 3g5a h SER 203 Cb 0.14 0.29 -0.01 0.00 -0.44 0.00 0.00 62.40 62.38 3g5a h SER 203 CO -0.02 -0.34 -0.10 0.15 -0.53 0.00 0.00 176.83 175.99 3g5a h PHE 204 N -0.44 0.51 -0.64 2.24 3.57 -1.43 -1.84 116.94 118.91 3g5a h PHE 204 Ca 0.04 -0.13 -0.09 0.00 3.53 0.00 0.00 57.97 61.33 3g5a h PHE 204 Cb 0.49 -0.12 -0.02 0.00 2.79 0.00 0.00 35.95 39.08 3g5a h PHE 204 CO -0.25 0.72 0.06 1.25 -2.23 0.00 0.00 178.31 177.85 3g5a h LEU 205 N 0.15 1.07 -0.38 0.59 5.85 -1.15 -0.88 115.31 120.54 3g5a h LEU 205 Ca 0.05 -0.28 -0.06 0.00 0.84 0.00 0.00 57.88 58.42 3g5a h LEU 205 Cb 0.59 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.32 3g5a h LEU 205 CO 0.03 1.08 -0.00 -0.07 -0.34 0.00 0.00 178.44 179.14 3g5a h LEU 206 N 1.01 0.66 -1.69 2.25 3.38 -0.73 -2.92 115.31 117.27 3g5a h LEU 206 Ca 0.19 -0.31 0.03 0.00 0.09 0.00 0.00 57.88 57.88 3g5a h LEU 206 Cb 0.50 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.06 3g5a h LEU 206 CO 0.02 0.81 0.25 0.22 0.09 0.00 0.00 178.44 179.84 3g5a h TYR 207 N 0.50 0.39 0.00 1.13 3.20 -1.04 -3.00 116.97 118.14 3g5a h TYR 207 Ca 0.11 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.97 3g5a h TYR 207 Cb 0.47 -0.13 -0.00 0.00 1.54 0.00 0.00 36.73 38.61 3g5a h TYR 207 CO 0.04 0.23 -0.07 0.66 -1.64 0.00 0.00 178.16 177.38 3g5a h SER 208 N 0.40 0.00 -2.49 -2.11 4.64 -0.96 0.22 113.55 113.26 3g5a h SER 208 Ca 0.15 0.00 -0.40 0.00 -0.47 0.00 0.00 61.79 61.07 3g5a h SER 208 Cb 0.12 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.15 3g5a h SER 208 CO -0.04 0.07 -0.47 -3.20 -0.87 0.00 0.00 176.83 172.32 3g5a n ASN 209 N -3.79 -5.61 -4.89 4.97 5.15 -1.13 -4.59 115.26 105.37 3g5a n ASN 209 Ca -0.02 0.15 -0.32 0.00 -0.60 0.00 0.00 54.58 53.79 3g5a n ASN 209 Cb 0.17 -4.76 -0.05 0.00 -0.53 0.00 0.00 39.78 34.61 3g5a n ASN 209 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 3g5a s GLU 210 N -4.65 3.69 0.25 1.20 0.41 -1.26 -4.84 118.70 113.50 3g5a s GLU 210 Ca 0.00 0.05 -0.30 0.00 -0.41 0.00 0.00 54.97 54.31 3g5a s GLU 210 Cb 0.00 -2.78 -0.10 0.00 -1.78 0.00 0.00 34.13 29.47 3g5a s GLU 210 CO 0.00 0.41 1.41 -1.25 -0.49 0.00 0.00 175.26 175.34 3g5a s PRO 211 N -2.70 4.29 0.20 0.39 0.04 -1.26 -5.00 135.00 130.97 3g5a s PRO 211 Ca 0.43 2.26 0.10 0.00 0.04 0.00 0.00 61.00 63.82 3g5a s PRO 211 Cb -0.12 -3.12 -0.04 0.00 0.04 0.00 0.00 34.50 31.26 3g5a s PRO 211 CO 0.23 -0.37 -0.12 0.96 0.04 0.00 0.00 177.00 177.74 3g5a s ILE 212 N -0.11 2.98 -0.03 0.56 -4.36 -1.26 -5.01 121.20 113.97 3g5a s ILE 212 Ca 0.58 -1.84 -0.35 0.00 -0.26 0.00 0.00 60.65 58.79 3g5a s ILE 212 Cb -0.41 -2.49 -0.13 0.00 1.25 0.00 0.00 42.46 40.68 3g5a s ILE 212 CO 0.44 -0.17 1.78 0.00 0.24 0.00 0.00 174.94 177.23 3g5a n GLU 214 N 5.62 0.06 -0.25 0.00 -0.58 -1.26 -2.01 120.64 122.22 3g5a n GLU 214 Ca 0.21 0.43 0.08 0.00 -0.42 0.00 0.00 57.16 57.46 3g5a n GLU 214 Cb 0.28 -1.65 0.33 0.00 -0.57 0.00 0.00 31.44 29.83 3g5a n GLU 214 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 3g5a h LEU 215 N 0.00 0.73 -0.86 -4.62 3.38 -1.96 -2.20 115.31 109.78 3g5a h LEU 215 Ca 0.00 0.02 -0.06 0.00 0.09 0.00 0.00 57.88 57.93 3g5a h LEU 215 Cb 0.15 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.74 3g5a h LEU 215 CO 0.00 0.43 0.13 1.88 0.09 0.00 0.00 178.44 180.97 3g5a h TYR 216 N 0.81 1.02 -0.28 1.13 0.05 -1.59 -1.88 116.97 116.22 3g5a h TYR 216 Ca 0.39 -0.12 0.05 0.00 0.05 0.00 0.00 58.73 59.11 3g5a h TYR 216 Cb 0.43 -0.29 -0.01 0.00 1.01 0.00 0.00 36.73 37.86 3g5a h TYR 216 CO -0.00 0.85 0.20 -0.09 -1.05 0.00 0.00 178.16 178.07 3g5a h ARG 217 N 0.93 0.14 -0.39 4.88 9.65 -1.57 0.16 114.38 128.18 3g5a h ARG 217 Ca 0.19 -0.01 0.00 0.00 -1.10 0.00 0.00 59.98 59.07 3g5a h ARG 217 Cb 0.36 -0.03 0.00 0.00 -1.39 0.00 0.00 29.97 28.91 3g5a h ARG 217 CO 0.00 0.09 0.00 0.66 2.80 0.00 0.00 179.97 183.53 3g5a n TYR 218 N -4.48 0.52 0.00 2.20 4.01 -0.73 -4.00 117.16 114.69 3g5a n TYR 218 Ca 0.03 -0.26 0.00 0.00 -0.16 0.00 0.00 57.90 57.51 3g5a n TYR 218 Cb 0.26 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.29 3g5a n TYR 218 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3g5a n GLY 219 N 1.14 0.71 3.78 2.72 0.00 -0.90 -4.67 105.19 107.98 3g5a n GLY 219 Ca 0.14 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.79 3g5a n GLY 219 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3g5a s PHE 220 N -2.00 3.40 0.00 1.61 0.08 -1.08 -1.02 117.98 118.98 3g5a s PHE 220 Ca 0.00 1.68 0.00 0.00 0.12 0.00 0.00 56.93 58.73 3g5a s PHE 220 Cb 0.00 -3.07 0.00 0.00 -0.57 0.00 0.00 43.02 39.38 3g5a s PHE 220 CO 0.00 -0.38 0.00 0.25 -0.10 0.00 0.00 175.22 174.99 3g5a n THR 221 N 0.15 0.00 -3.74 0.64 -2.24 -1.26 -3.80 114.28 104.03 3g5a n THR 221 Ca 0.04 -0.24 -0.12 0.00 -2.27 0.00 0.00 64.05 61.46 3g5a n THR 221 Cb 0.50 0.79 -0.12 0.00 -2.10 0.00 0.00 70.33 69.39 3g5a n THR 221 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3g5a s SER 222 N -0.96 -0.30 -0.43 3.42 0.15 -1.25 -4.90 113.70 109.44 3g5a s SER 222 Ca 0.00 0.58 -0.09 0.00 0.70 0.00 0.00 55.95 57.14 3g5a s SER 222 Cb 0.00 0.49 0.09 0.00 -1.71 0.00 0.00 66.02 64.89 3g5a s SER 222 CO 0.00 -0.15 0.27 -0.76 1.20 0.00 0.00 173.24 173.80 3g5a s LEU 223 N 1.02 5.25 0.00 3.45 1.43 -1.26 -4.86 118.68 123.71 3g5a s LEU 223 Ca -0.07 -1.60 0.00 0.00 -1.03 0.00 0.00 54.13 51.43 3g5a s LEU 223 Cb -0.08 -1.98 0.00 0.00 0.03 0.00 0.00 46.19 44.16 3g5a s LEU 223 CO -0.07 -0.57 0.00 0.61 0.23 0.00 0.00 176.35 176.55 3g5a n GLY 224 N 4.90 1.74 3.80 -3.19 0.00 -1.26 -5.10 105.19 106.08 3g5a n GLY 224 Ca -0.09 -1.93 -0.29 0.00 0.00 0.00 0.00 46.02 43.71 3g5a n GLY 224 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3g5a s ASN 225 N -1.00 3.91 0.48 1.61 2.20 -1.26 -4.69 114.94 116.19 3g5a s ASN 225 Ca 0.00 1.06 0.21 0.00 -0.94 0.00 0.00 52.86 53.19 3g5a s ASN 225 Cb 0.00 -1.68 1.23 0.00 -2.00 0.00 0.00 41.25 38.80 3g5a s ASN 225 CO 0.00 -2.31 2.03 -0.37 -2.94 0.00 0.00 177.10 173.51 3g5a h VAL 226 N -1.33 0.85 0.11 3.54 -1.51 -1.09 -2.36 116.25 114.47 3g5a h VAL 226 Ca -0.49 -0.59 -0.15 0.00 -1.23 0.00 0.00 66.70 64.24 3g5a h VAL 226 Cb 1.31 1.34 0.02 0.00 -2.13 0.00 0.00 31.29 31.83 3g5a h VAL 226 CO 0.61 0.15 -0.67 -0.08 -1.23 0.00 0.00 177.57 176.36 3g5a h GLU 227 N 0.00 0.25 0.00 5.19 4.22 -1.93 -3.39 114.58 118.93 3g5a h GLU 227 Ca -0.00 -0.42 0.00 0.00 0.08 0.00 0.00 59.36 59.02 3g5a h GLU 227 Cb 0.33 0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.74 3g5a h GLU 227 CO 0.02 1.20 -0.44 1.05 -2.18 0.00 0.00 179.01 178.65 3g5a h GLU 228 N -0.47 0.00 -5.19 1.92 4.11 -1.88 -3.44 114.58 109.63 3g5a h GLU 228 Ca -0.12 0.00 -0.61 0.00 0.07 0.00 0.00 59.36 58.70 3g5a h GLU 228 Cb 1.52 0.00 -0.13 0.00 0.50 0.00 0.00 28.75 30.64 3g5a h GLU 228 CO 0.13 0.00 -0.44 0.99 0.07 0.00 0.00 179.01 179.75 3g5a s THR 229 N -3.21 5.34 0.24 -1.06 2.01 -0.91 0.09 115.64 118.14 3g5a s THR 229 Ca 0.06 0.29 0.09 0.00 0.31 0.00 0.00 61.69 62.44 3g5a s THR 229 Cb 0.10 -3.54 -0.05 0.00 0.01 0.00 0.00 72.50 69.02 3g5a s THR 229 CO 0.70 0.35 -0.16 -0.76 -0.69 0.00 0.00 174.62 174.06 3g5a s LEU 230 N 0.94 2.57 0.65 4.42 1.43 0.25 -4.92 118.68 124.02 3g5a s LEU 230 Ca 0.10 -1.03 -0.17 0.00 -1.03 0.00 0.00 54.13 51.99 3g5a s LEU 230 Cb -0.13 -0.84 -0.02 0.00 0.03 0.00 0.00 46.19 45.22 3g5a s LEU 230 CO 0.04 -0.10 1.04 -2.65 0.23 0.00 0.00 176.35 174.91 3g5a n PRO 231 N -0.49 0.82 -1.98 1.29 -0.02 -1.26 -4.42 135.00 128.94 3g5a n PRO 231 Ca -0.07 0.33 -0.42 0.00 -2.02 0.00 0.00 63.50 61.32 3g5a n PRO 231 Cb 0.60 -2.27 -0.03 0.00 -0.02 0.00 0.00 33.50 31.79 3g5a n PRO 231 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 3g5a s ASN 232 N -1.40 6.65 0.57 2.55 3.84 -0.19 -4.52 114.94 122.44 3g5a s ASN 232 Ca 0.77 2.33 0.27 0.00 0.21 0.00 0.00 52.86 56.45 3g5a s ASN 232 Cb -0.39 -2.54 1.66 0.00 -0.55 0.00 0.00 41.25 39.43 3g5a s ASN 232 CO 0.46 -0.90 2.20 1.55 -2.79 0.00 0.00 177.10 177.62 3g5a h PRO 233 N 9.09 0.00 0.00 0.43 0.13 -1.89 0.11 132.00 139.86 3g5a h PRO 233 Ca -0.41 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 3g5a h PRO 233 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 3g5a h PRO 233 CO 0.94 0.03 0.00 0.72 -0.23 0.00 0.00 178.00 179.46 3g5a n HIS 234 N -3.92 0.41 0.97 1.56 8.25 -1.26 -2.42 115.22 118.81 3g5a n HIS 234 Ca -0.03 0.15 0.11 0.00 -0.26 0.00 0.00 57.72 57.69 3g5a n HIS 234 Cb 0.11 -0.75 0.04 0.00 1.12 0.00 0.00 29.99 30.52 3g5a n HIS 234 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 3g5a n LEU 235 N -1.86 2.39 -4.67 2.41 4.77 0.37 -4.98 117.00 115.43 3g5a n LEU 235 Ca 0.03 -0.86 -0.46 0.00 -0.03 0.00 0.00 56.01 54.69 3g5a n LEU 235 Cb 0.23 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.28 3g5a n LEU 235 CO 0.19 0.42 1.17 -1.14 -1.33 0.00 0.00 177.39 176.70 3g5a n ARG 236 N 0.52 2.10 -2.75 3.23 0.63 -1.01 -1.74 116.66 117.63 3g5a n ARG 236 Ca 0.11 0.76 -0.40 0.00 -0.92 0.00 0.00 57.85 57.39 3g5a n ARG 236 Cb 0.51 -2.51 -0.05 0.00 0.45 0.00 0.00 32.46 30.85 3g5a n ARG 236 CO 0.00 0.00 0.00 0.15 -2.51 0.00 0.00 177.63 175.27 3g5a s LYS 237 N 0.79 4.77 0.26 -0.14 1.02 0.59 -4.90 119.74 122.13 3g5a s LYS 237 Ca 0.78 1.46 -0.00 0.00 0.02 0.00 0.00 55.97 58.23 3g5a s LYS 237 Cb -0.69 -3.32 -0.03 0.00 -0.52 0.00 0.00 37.83 33.27 3g5a s LYS 237 CO 0.39 0.38 0.25 0.16 -0.92 0.00 0.00 175.35 175.61 3g5a s ASP 238 N -0.63 0.64 0.11 2.83 1.47 -1.26 -4.71 116.67 115.12 3g5a s ASP 238 Ca 0.43 -1.46 0.23 0.00 1.18 0.00 0.00 52.55 52.94 3g5a s ASP 238 Cb -0.25 0.48 0.04 0.00 -0.34 0.00 0.00 42.92 42.85 3g5a s ASP 238 CO 0.31 -0.98 1.02 0.29 0.68 0.00 0.00 175.17 176.49 3g5a n LYS 239 N -0.41 0.45 -0.01 2.11 5.02 -1.26 -4.54 118.16 119.52 3g5a n LYS 239 Ca 0.03 0.04 0.08 0.00 -2.02 0.00 0.00 58.31 56.44 3g5a n LYS 239 Cb 0.64 -1.69 -0.12 0.00 -0.02 0.00 0.00 35.03 33.84 3g5a n LYS 239 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 3g5a n ASN 240 N -2.30 1.18 -4.97 4.39 6.94 -1.26 -4.99 115.26 114.25 3g5a n ASN 240 Ca 0.01 -0.16 -0.21 0.00 -0.02 0.00 0.00 54.58 54.20 3g5a n ASN 240 Cb 0.50 1.61 0.02 0.00 -2.36 0.00 0.00 39.78 39.55 3g5a n ASN 240 CO 0.00 0.00 0.00 -0.94 -1.03 0.00 0.00 177.26 175.29 3g5a s SER 241 N -3.63 5.51 0.09 0.53 1.04 -1.26 -5.02 113.70 110.95 3g5a s SER 241 Ca -0.04 -0.01 -0.31 0.00 0.48 0.00 0.00 55.95 56.07 3g5a s SER 241 Cb 0.11 -1.02 -0.09 0.00 0.10 0.00 0.00 66.02 65.11 3g5a s SER 241 CO 0.67 -0.94 1.84 -0.89 0.98 0.00 0.00 173.24 174.90 3g5a s THR 242 N -2.62 2.77 0.22 2.02 2.01 -1.26 -4.93 115.64 113.85 3g5a s THR 242 Ca 0.54 0.13 -0.31 0.00 0.31 0.00 0.00 61.69 62.36 3g5a s THR 242 Cb -0.10 -3.08 -0.14 0.00 0.01 0.00 0.00 72.50 69.18 3g5a s THR 242 CO 0.37 -0.00 1.26 -2.65 -0.69 0.00 0.00 174.62 172.90 3g5a n PRO 243 N 6.22 1.61 -2.53 4.92 -0.02 -1.26 -4.96 135.00 138.99 3g5a n PRO 243 Ca 0.18 0.57 -0.35 0.00 -2.02 0.00 0.00 63.50 61.88 3g5a n PRO 243 Cb 0.39 -2.13 -0.04 0.00 -0.02 0.00 0.00 33.50 31.71 3g5a n PRO 243 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3g5a s LEU 244 N 0.31 4.00 0.11 2.45 1.43 -1.26 -5.06 118.68 120.65 3g5a s LEU 244 Ca 0.68 2.00 0.09 0.00 -1.03 0.00 0.00 54.13 55.87 3g5a s LEU 244 Cb -0.73 -4.36 -0.04 0.00 0.03 0.00 0.00 46.19 41.09 3g5a s LEU 244 CO 0.53 -0.65 -0.19 -0.54 0.23 0.00 0.00 176.35 175.72 3g5a s LYS 245 N -2.84 1.77 -0.23 1.70 1.02 -1.26 -5.10 119.74 114.80 3g5a s LYS 245 Ca 0.62 -1.17 -0.23 0.00 0.02 0.00 0.00 55.97 55.21 3g5a s LYS 245 Cb -0.20 -2.09 -0.01 0.00 -0.52 0.00 0.00 37.83 35.01 3g5a s LYS 245 CO 0.24 0.48 0.75 -1.17 -0.92 0.00 0.00 175.35 174.74 3g5a s LEU 246 N -2.02 4.10 0.00 3.17 2.96 -1.26 -4.92 118.68 120.71 3g5a s LEU 246 Ca 0.17 0.95 0.29 0.00 -0.22 0.00 0.00 54.13 55.32 3g5a s LEU 246 Cb -0.10 -3.07 1.34 0.00 0.50 0.00 0.00 46.19 44.86 3g5a s LEU 246 CO 0.09 -0.42 1.92 0.59 -1.32 0.00 0.00 176.35 177.21 3g5a n ASN 247 N 5.67 0.39 -0.52 3.68 3.02 -1.26 -4.34 115.26 121.91 3g5a n ASN 247 Ca 0.03 -0.60 0.07 0.00 -0.03 0.00 0.00 54.58 54.05 3g5a n ASN 247 Cb 0.48 -0.09 0.14 0.00 -0.61 0.00 0.00 39.78 39.70 3g5a n ASN 247 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 3g5a n PHE 248 N -0.96 0.00 -0.24 3.10 3.72 -1.26 -4.79 117.46 117.03 3g5a n PHE 248 Ca 0.16 -1.06 -0.00 0.00 -0.05 0.00 0.00 57.45 56.50 3g5a n PHE 248 Cb 0.26 -0.18 0.12 0.00 -0.94 0.00 0.00 39.48 38.73 3g5a n PHE 248 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 3g5a h GLU 249 N 0.55 0.65 -0.18 -1.08 5.08 -2.01 -2.53 114.58 115.07 3g5a h GLU 249 Ca -0.03 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.29 3g5a h GLU 249 Cb 1.15 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 30.24 3g5a h GLU 249 CO 0.01 0.43 0.09 2.35 -1.00 0.00 0.00 179.01 180.90 3g5a h TRP 250 N 0.67 0.25 -0.98 4.33 7.01 -1.95 -1.69 115.95 123.59 3g5a h TRP 250 Ca 0.32 -0.01 0.03 0.00 2.11 0.00 0.00 58.89 61.34 3g5a h TRP 250 Cb 0.26 -0.08 -0.05 0.00 -2.10 0.00 0.00 29.16 27.18 3g5a h TRP 250 CO -0.09 0.26 0.64 0.93 -2.79 0.00 0.00 178.44 177.40 3g5a h GLU 251 N 0.17 1.23 -0.02 2.65 3.07 -1.88 0.15 114.58 119.94 3g5a h GLU 251 Ca 0.06 -0.07 -0.01 0.00 -0.50 0.00 0.00 59.36 58.83 3g5a h GLU 251 Cb 0.10 -0.28 -0.00 0.00 -0.84 0.00 0.00 28.75 27.73 3g5a h GLU 251 CO -0.01 0.81 -0.04 0.82 -1.40 0.00 0.00 179.01 179.19 3g5a h ILE 252 N 1.26 1.42 -0.08 3.13 2.04 -1.39 0.14 117.51 124.04 3g5a h ILE 252 Ca 0.38 -1.31 -0.06 0.00 1.00 0.00 0.00 64.86 64.87 3g5a h ILE 252 Cb -0.04 2.25 -0.01 0.00 -0.74 0.00 0.00 36.82 38.28 3g5a h ILE 252 CO -0.11 0.35 -0.22 -0.33 0.00 0.00 0.00 178.15 177.84 3g5a h GLU 253 N -0.45 0.13 -0.17 2.37 5.08 -1.14 -3.17 114.58 117.24 3g5a h GLU 253 Ca 0.00 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.32 3g5a h GLU 253 Cb 0.59 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.82 3g5a h GLU 253 CO 0.01 0.35 -0.01 0.09 -1.00 0.00 0.00 179.01 178.45 3g5a n ASN 254 N -4.23 3.25 -4.67 1.42 4.13 0.50 -5.05 115.26 110.62 3g5a n ASN 254 Ca -0.01 -3.09 -0.36 0.00 1.68 0.00 0.00 54.58 52.80 3g5a n ASN 254 Cb 0.31 -0.51 0.09 0.00 -1.54 0.00 0.00 39.78 38.13 3g5a n ASN 254 CO 0.00 0.00 0.00 -2.11 0.28 0.00 0.00 177.26 175.43 3g5a n ARG 255 N -0.88 0.68 -1.66 3.52 1.85 0.50 -4.82 116.66 115.85 3g5a n ARG 255 Ca 0.20 0.29 -0.47 0.00 -1.00 0.00 0.00 57.85 56.87 3g5a n ARG 255 Cb 0.81 -2.38 -0.04 0.00 -1.05 0.00 0.00 32.46 29.79 3g5a n ARG 255 CO 0.00 0.00 0.00 0.98 -0.01 0.00 0.00 177.63 178.60 3g5a n TYR 256 N -2.43 2.32 -2.80 2.89 9.36 0.79 -4.92 117.16 122.37 3g5a n TYR 256 Ca 0.14 -0.10 -0.42 0.00 3.32 0.00 0.00 57.90 60.85 3g5a n TYR 256 Cb 0.49 -2.70 -0.03 0.00 -0.63 0.00 0.00 39.34 36.47 3g5a n TYR 256 CO 0.00 0.00 0.00 0.15 0.22 0.00 0.00 176.86 177.23 3g5a s LYS 257 N 4.47 4.38 0.22 2.98 1.02 -1.26 -4.59 119.74 126.95 3g5a s LYS 257 Ca 0.93 1.20 -0.09 0.00 0.02 0.00 0.00 55.97 58.03 3g5a s LYS 257 Cb -0.61 -3.55 -0.07 0.00 -0.52 0.00 0.00 37.83 33.08 3g5a s LYS 257 CO 0.48 -0.28 0.54 -1.01 -0.92 0.00 0.00 175.35 174.15 3g5a s HIS 258 N 1.94 3.43 0.34 3.18 3.76 -1.26 -5.11 115.29 121.57 3g5a s HIS 258 Ca 0.43 0.85 0.00 0.00 -0.15 0.00 0.00 55.06 56.20 3g5a s HIS 258 Cb -0.18 -2.24 0.07 0.00 1.11 0.00 0.00 32.58 31.34 3g5a s HIS 258 CO 0.16 0.29 0.47 0.27 -0.85 0.00 0.00 174.74 175.07 3g5a n ASN 259 N -0.10 0.67 -0.35 1.40 0.23 -1.26 -4.82 115.26 111.03 3g5a n ASN 259 Ca 0.00 -1.55 0.09 0.00 -0.53 0.00 0.00 54.58 52.58 3g5a n ASN 259 Cb 0.52 -0.30 0.26 0.00 -2.08 0.00 0.00 39.78 38.18 3g5a n ASN 259 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 3g5a h GLU 260 N 0.00 0.85 0.12 -3.83 4.39 -1.99 -1.24 114.58 112.88 3g5a h GLU 260 Ca -0.15 -0.05 0.01 0.00 0.34 0.00 0.00 59.36 59.50 3g5a h GLU 260 Cb 0.58 -0.19 -0.02 0.00 -0.10 0.00 0.00 28.75 29.02 3g5a h GLU 260 CO 0.17 0.57 -0.17 0.28 -1.16 0.00 0.00 179.01 178.70 3g5a h VAL 261 N 0.88 0.62 -0.24 3.13 2.07 -2.02 -3.34 116.25 117.35 3g5a h VAL 261 Ca 0.52 0.00 0.00 0.00 0.82 0.00 0.00 66.70 68.04 3g5a h VAL 261 Cb 0.63 0.62 0.00 0.00 -1.52 0.00 0.00 31.29 31.02 3g5a h VAL 261 CO -0.31 0.00 0.00 0.35 0.02 0.00 0.00 177.57 177.63 3g5a n THR 262 N -5.29 0.31 -1.85 2.57 -2.24 -0.92 -4.97 114.28 101.89 3g5a n THR 262 Ca -0.07 -0.66 -0.42 0.00 -2.27 0.00 0.00 64.05 60.64 3g5a n THR 262 Cb 0.21 1.16 -0.02 0.00 -2.10 0.00 0.00 70.33 69.58 3g5a n THR 262 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3g5a s LYS 263 N -1.60 4.17 -0.16 -0.78 1.02 -0.51 -4.86 119.74 117.02 3g5a s LYS 263 Ca 0.33 2.48 0.00 0.00 0.02 0.00 0.00 55.97 58.80 3g5a s LYS 263 Cb 0.20 -3.08 0.00 0.00 -0.52 0.00 0.00 37.83 34.44 3g5a s LYS 263 CO 0.29 -0.61 -0.16 0.00 -0.92 0.00 0.00 175.35 173.96 3g5a s ALA 264 N 0.47 2.46 0.20 5.17 0.00 -1.26 -5.03 121.76 123.77 3g5a s ALA 264 Ca 0.66 -1.10 -0.30 0.00 0.00 0.00 0.00 51.96 51.22 3g5a s ALA 264 Cb -0.46 -1.23 -0.08 0.00 0.00 0.00 0.00 23.12 21.34 3g5a s ALA 264 CO 0.40 -0.14 1.19 -2.00 0.00 0.00 0.00 175.76 175.21 3g5a s GLU 265 N 0.98 4.51 0.78 0.00 2.12 -1.26 -4.88 118.70 120.94 3g5a s GLU 265 Ca -0.02 1.87 -0.14 0.00 0.36 0.00 0.00 54.97 57.03 3g5a s GLU 265 Cb -0.15 -3.23 0.05 0.00 0.26 0.00 0.00 34.13 31.06 3g5a s GLU 265 CO -0.03 -0.05 1.08 -2.30 -0.54 0.00 0.00 175.26 173.41 3g5a n PRO 266 N 2.31 0.32 -3.77 4.30 -0.02 -1.26 -4.89 135.00 131.99 3g5a n PRO 266 Ca 0.04 0.18 -0.37 0.00 -2.02 0.00 0.00 63.50 61.32 3g5a n PRO 266 Cb 0.45 -2.33 -0.13 0.00 -0.02 0.00 0.00 33.50 31.47 3g5a n PRO 266 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3g5a s ILE 267 N -1.99 3.89 0.62 4.25 1.01 -1.26 -5.08 121.20 122.64 3g5a s ILE 267 Ca 0.73 -0.72 -0.09 0.00 0.00 0.00 0.00 60.65 60.57 3g5a s ILE 267 Cb -0.31 -3.01 -0.01 0.00 0.01 0.00 0.00 42.46 39.14 3g5a s ILE 267 CO 0.51 0.08 0.99 -2.16 0.00 0.00 0.00 174.94 174.37 3g5a s PRO 268 N 1.49 3.20 0.45 2.79 0.04 -1.26 -4.40 135.00 137.31 3g5a s PRO 268 Ca 0.02 0.42 -0.24 0.00 0.04 0.00 0.00 61.00 61.24 3g5a s PRO 268 Cb -0.17 -2.14 -0.09 0.00 0.04 0.00 0.00 34.50 32.14 3g5a s PRO 268 CO 0.02 -0.70 1.24 1.51 0.04 0.00 0.00 177.00 179.11 3g5a n ILE 269 N -2.73 2.80 -2.31 0.56 3.06 -1.26 -4.85 119.36 114.63 3g5a n ILE 269 Ca 0.05 -0.50 -0.36 0.00 -2.50 0.00 0.00 62.75 59.44 3g5a n ILE 269 Cb 0.56 -1.53 -0.01 0.00 0.54 0.00 0.00 39.64 39.20 3g5a n ILE 269 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 3g5a s ALA 270 N -1.24 2.89 0.19 1.51 0.00 -1.26 -4.90 121.76 118.95 3g5a s ALA 270 Ca 0.64 0.86 -0.12 0.00 0.00 0.00 0.00 51.96 53.33 3g5a s ALA 270 Cb -0.49 -3.36 0.17 0.00 0.00 0.00 0.00 23.12 19.45 3g5a s ALA 270 CO 0.56 -0.62 1.78 -0.44 0.00 0.00 0.00 175.76 177.04 3g5a h ASP 271 N 1.80 0.37 -0.28 0.00 3.32 -1.99 -1.54 116.42 118.12 3g5a h ASP 271 Ca -0.49 0.04 0.02 0.00 0.02 0.00 0.00 57.03 56.62 3g5a h ASP 271 Cb 1.25 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 40.75 3g5a h ASP 271 CO 0.59 0.25 0.19 1.05 -1.72 0.00 0.00 179.24 179.60 3g5a h GLU 272 N 0.51 0.27 -0.02 3.56 4.11 -2.01 -2.40 114.58 118.60 3g5a h GLU 272 Ca 0.25 -0.02 -0.23 0.00 0.07 0.00 0.00 59.36 59.43 3g5a h GLU 272 Cb 0.18 -0.06 0.01 0.00 0.50 0.00 0.00 28.75 29.37 3g5a h GLU 272 CO -0.18 0.18 -0.93 -0.44 0.07 0.00 0.00 179.01 177.71 3g5a h ASP 273 N 0.28 0.67 -0.76 3.06 3.32 -1.75 -3.00 116.42 118.25 3g5a h ASP 273 Ca 0.11 -0.52 0.04 0.00 0.02 0.00 0.00 57.03 56.69 3g5a h ASP 273 Cb 0.11 -0.20 -0.05 0.00 0.22 0.00 0.00 39.33 39.41 3g5a h ASP 273 CO -0.02 1.31 0.47 0.25 -1.72 0.00 0.00 179.24 179.53 3g5a h LEU 274 N 0.31 0.77 -0.07 1.55 6.46 -0.88 -1.21 115.31 122.23 3g5a h LEU 274 Ca -0.09 0.00 0.02 0.00 -0.12 0.00 0.00 57.88 57.70 3g5a h LEU 274 Cb 1.56 -0.16 -0.02 0.00 -0.73 0.00 0.00 40.66 41.31 3g5a h LEU 274 CO 0.17 0.52 -0.05 0.58 -0.62 0.00 0.00 178.44 179.04 3g5a h VAL 275 N 0.91 0.85 -0.56 1.05 2.07 -1.49 0.63 116.25 119.71 3g5a h VAL 275 Ca 0.31 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.93 3g5a h VAL 275 Cb 0.05 0.85 -0.11 0.00 -1.52 0.00 0.00 31.29 30.56 3g5a h VAL 275 CO -0.13 0.00 -0.33 0.11 0.02 0.00 0.00 177.57 177.24 3g5a h LYS 276 N -0.06 -0.17 -0.45 1.57 6.56 -1.32 -1.16 116.57 121.55 3g5a h LYS 276 Ca 0.05 0.01 -0.04 0.00 -1.06 0.00 0.00 60.65 59.61 3g5a h LYS 276 Cb 0.12 0.04 -0.02 0.00 -0.57 0.00 0.00 32.23 31.80 3g5a h LYS 276 CO -0.11 -0.11 0.13 0.82 -2.06 0.00 0.00 179.45 178.13 3g5a h ILE 277 N -0.17 1.22 -0.27 1.86 2.04 -0.70 -2.76 117.51 118.73 3g5a h ILE 277 Ca 0.22 -0.75 -0.02 0.00 1.00 0.00 0.00 64.86 65.31 3g5a h ILE 277 Cb 0.55 0.87 -0.01 0.00 -0.74 0.00 0.00 36.82 37.48 3g5a h ILE 277 CO -0.66 0.27 0.06 -0.33 0.00 0.00 0.00 178.15 177.49 3g5a h GLU 278 N 0.59 0.39 0.00 2.37 5.08 -0.63 -2.36 114.58 120.01 3g5a h GLU 278 Ca 0.14 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 3g5a h GLU 278 Cb 0.28 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.46 3g5a h GLU 278 CO -0.00 0.37 0.00 -0.91 -1.00 0.00 0.00 179.01 177.46 3g5a h ASN 279 N 0.38 0.00 0.76 1.42 2.35 -0.90 -3.24 115.58 116.35 3g5a h ASN 279 Ca 0.09 0.00 -0.17 0.00 -0.55 0.00 0.00 56.30 55.67 3g5a h ASN 279 Cb 0.16 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.51 3g5a h ASN 279 CO -0.00 0.00 -0.81 -0.07 -1.65 0.00 0.00 177.43 174.89 3g5a h LEU 280 N 0.00 0.05 1.00 1.61 3.38 -1.47 -3.48 115.31 116.40 3g5a h LEU 280 Ca 0.00 -0.04 -0.40 0.00 0.09 0.00 0.00 57.88 57.53 3g5a h LEU 280 Cb 0.00 -0.02 0.04 0.00 0.09 0.00 0.00 40.66 40.77 3g5a h LEU 280 CO 0.00 0.84 -0.60 1.41 0.09 0.00 0.00 178.44 180.19 3g5a n HIS 281 N -3.60 -1.92 -3.87 1.13 8.25 -1.23 -4.99 115.22 108.99 3g5a n HIS 281 Ca -0.01 0.50 -0.11 0.00 -0.26 0.00 0.00 57.72 57.83 3g5a n HIS 281 Cb 0.78 -4.24 -0.11 0.00 1.12 0.00 0.00 29.99 27.54 3g5a n HIS 281 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 3g5a s GLU 282 N -5.73 0.36 0.10 -0.41 0.41 -1.26 -5.17 118.70 107.00 3g5a s GLU 282 Ca 0.31 -0.24 0.06 0.00 -0.41 0.00 0.00 54.97 54.69 3g5a s GLU 282 Cb -0.14 0.15 -0.04 0.00 -1.78 0.00 0.00 34.13 32.32 3g5a s GLU 282 CO 0.38 -0.08 -0.02 0.34 -0.49 0.00 0.00 175.26 175.39 3g5a s ASP 283 N -0.93 4.84 0.02 -0.19 2.15 -1.26 -5.02 116.67 116.28 3g5a s ASP 283 Ca -0.10 -0.26 0.06 0.00 0.43 0.00 0.00 52.55 52.69 3g5a s ASP 283 Cb -0.06 -1.09 -0.02 0.00 -0.30 0.00 0.00 42.92 41.45 3g5a s ASP 283 CO 0.01 0.16 -0.19 -0.31 -0.17 0.00 0.00 175.17 174.68 3g5a s TYR 284 N -1.34 1.65 0.67 -5.34 2.02 -1.26 -0.30 117.35 113.44 3g5a s TYR 284 Ca 0.25 -0.35 -0.18 0.00 -0.37 0.00 0.00 57.07 56.43 3g5a s TYR 284 Cb -0.11 -1.00 -0.00 0.00 -0.40 0.00 0.00 41.96 40.44 3g5a s TYR 284 CO 0.17 0.04 1.29 0.71 -1.57 0.00 0.00 175.55 176.19 3g5a s TYR 285 N -0.68 2.04 0.94 2.71 2.02 -0.71 -4.65 117.35 119.02 3g5a s TYR 285 Ca 0.06 1.50 -0.11 0.00 -0.37 0.00 0.00 57.07 58.15 3g5a s TYR 285 Cb -0.08 -3.68 0.16 0.00 -0.40 0.00 0.00 41.96 37.96 3g5a s TYR 285 CO 0.01 -2.93 1.10 -1.25 -1.57 0.00 0.00 175.55 170.90 3g5a s PRO 286 N -3.46 0.85 0.55 -1.71 0.04 -1.26 -3.72 135.00 126.29 3g5a s PRO 286 Ca 0.82 1.14 0.25 0.00 0.04 0.00 0.00 61.00 63.24 3g5a s PRO 286 Cb -0.37 -1.74 1.47 0.00 0.04 0.00 0.00 34.50 33.90 3g5a s PRO 286 CO 0.41 -2.61 2.06 0.78 0.04 0.00 0.00 177.00 177.68 3g5a h GLY 287 N -1.83 0.00 1.49 0.56 0.00 -0.79 -2.01 103.07 100.50 3g5a h GLY 287 Ca -0.49 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.84 3g5a h GLY 287 CO 0.49 0.00 0.00 -2.67 0.00 0.00 0.00 176.54 174.36 3g5a n TRP 288 N -4.19 0.00 1.05 5.60 2.14 -1.26 -0.76 117.44 120.02 3g5a n TRP 288 Ca 0.04 0.00 0.12 0.00 2.07 0.00 0.00 57.50 59.73 3g5a n TRP 288 Cb 0.40 -0.25 0.57 0.00 -0.81 0.00 0.00 31.31 31.22 3g5a n TRP 288 CO 0.00 0.00 0.00 0.66 2.07 0.00 0.00 177.69 180.42 3g5a n TYR 289 N -1.25 0.00 -3.60 -2.67 4.02 -0.75 -4.67 117.16 108.24 3g5a n TYR 289 Ca 0.08 0.00 -0.38 0.00 -0.01 0.00 0.00 57.90 57.59 3g5a n TYR 289 Cb 0.11 -0.33 -0.11 0.00 -0.02 0.00 0.00 39.34 38.99 3g5a n TYR 289 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 176.86 174.68 3g5a s LEU 290 N -2.67 4.03 0.00 7.72 2.96 0.06 -4.91 118.68 125.87 3g5a s LEU 290 Ca 0.20 0.01 0.01 0.00 -0.22 0.00 0.00 54.13 54.13 3g5a s LEU 290 Cb 0.16 -2.12 0.03 0.00 0.50 0.00 0.00 46.19 44.76 3g5a s LEU 290 CO 0.38 -0.03 0.96 1.33 -1.32 0.00 0.00 176.35 177.66 3g5a n VAL 291 N 4.95 0.86 -3.44 1.68 0.24 -1.26 -4.76 118.33 116.59 3g5a n VAL 291 Ca -0.14 -0.93 -0.43 0.00 -2.04 0.00 0.00 64.34 60.80 3g5a n VAL 291 Cb 0.52 0.58 -0.08 0.00 -1.47 0.00 0.00 33.84 33.38 3g5a n VAL 291 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3g5a s ASP 292 N -0.87 6.05 0.46 -1.34 -1.08 -1.26 -4.35 116.67 114.28 3g5a s ASP 292 Ca 0.03 -1.29 0.23 0.00 -0.52 0.00 0.00 52.55 50.99 3g5a s ASP 292 Cb 0.01 -2.14 1.25 0.00 -1.46 0.00 0.00 42.92 40.58 3g5a s ASP 292 CO 0.02 -0.60 1.86 0.44 0.52 0.00 0.00 175.17 177.41 3g5a h ASP 293 N 8.67 0.25 0.64 -0.34 3.32 -1.99 -0.45 116.42 126.53 3g5a h ASP 293 Ca -0.27 0.03 0.00 0.00 0.02 0.00 0.00 57.03 56.81 3g5a h ASP 293 Cb 1.11 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.64 3g5a h ASP 293 CO 0.84 0.09 0.00 0.11 -1.72 0.00 0.00 179.24 178.55 3g5a h LYS 294 N 0.24 0.00 -0.13 3.56 1.57 -1.95 -2.67 116.57 117.19 3g5a h LYS 294 Ca 0.47 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.25 3g5a h LYS 294 Cb 1.43 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.74 3g5a h LYS 294 CO -0.12 0.00 0.00 1.28 -0.57 0.00 0.00 179.45 180.04 3g5a n LEU 295 N -2.75 2.49 -0.35 2.94 4.77 -0.18 -4.67 117.00 119.25 3g5a n LEU 295 Ca 0.00 -1.25 0.07 0.00 -0.03 0.00 0.00 56.01 54.80 3g5a n LEU 295 Cb 0.21 -0.08 0.24 0.00 -2.33 0.00 0.00 43.42 41.46 3g5a n LEU 295 CO 0.22 0.51 1.21 -0.08 -1.33 0.00 0.00 177.39 177.91 3g5a h GLU 296 N 2.88 0.89 -0.61 3.23 4.81 -1.44 -2.11 114.58 122.24 3g5a h GLU 296 Ca 0.00 -0.05 -0.07 0.00 -0.13 0.00 0.00 59.36 59.11 3g5a h GLU 296 Cb 0.67 -0.20 -0.04 0.00 0.63 0.00 0.00 28.75 29.81 3g5a h GLU 296 CO 0.00 0.59 0.08 0.54 -0.73 0.00 0.00 179.01 179.49 3g5a n ARG 297 N -4.67 4.43 0.23 1.92 1.74 -1.26 -3.75 116.66 115.30 3g5a n ARG 297 Ca 0.19 -3.13 0.09 0.00 -0.77 0.00 0.00 57.85 54.23 3g5a n ARG 297 Cb 0.38 -2.23 0.56 0.00 -1.02 0.00 0.00 32.46 30.15 3g5a n ARG 297 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3g5a h ALA 298 N 3.45 1.24 -0.25 7.54 0.00 -1.69 -3.34 119.26 126.20 3g5a h ALA 298 Ca 0.08 -0.19 -0.72 0.00 0.00 0.00 0.00 54.91 54.08 3g5a h ALA 298 Cb 2.07 -0.03 -0.07 0.00 0.00 0.00 0.00 17.79 19.76 3g5a h ALA 298 CO 0.55 0.27 2.85 0.41 0.00 0.00 0.00 179.25 183.33 3g5a n GLY 299 N -0.41 4.35 3.08 0.00 0.00 -1.26 -4.68 105.19 106.27 3g5a n GLY 299 Ca -0.01 -1.68 -0.20 0.00 0.00 0.00 0.00 46.02 44.13 3g5a n GLY 299 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3g5a s ARG 300 N 2.72 0.88 0.29 1.61 1.81 -1.26 -0.58 118.95 124.42 3g5a s ARG 300 Ca 0.46 -0.52 -0.30 0.00 -1.72 0.00 0.00 55.73 53.65 3g5a s ARG 300 Cb 0.12 -0.85 -0.12 0.00 -0.45 0.00 0.00 34.95 33.66 3g5a s ARG 300 CO -0.06 0.22 1.53 -0.89 -0.68 0.00 0.00 175.30 175.43 3g5a n ILE 301 N 2.46 1.12 -2.16 1.52 2.08 0.11 -4.89 119.36 119.59 3g5a n ILE 301 Ca -0.16 -0.28 -0.42 0.00 0.56 0.00 0.00 62.75 62.46 3g5a n ILE 301 Cb 0.56 -1.84 -0.03 0.00 -0.75 0.00 0.00 39.64 37.58 3g5a n ILE 301 CO 0.00 0.00 0.00 -0.75 0.56 0.00 0.00 176.55 176.36 3g5a s LYS 302 N -0.65 4.31 0.31 0.38 2.20 -1.26 -5.01 119.74 120.01 3g5a s LYS 302 Ca 0.64 2.08 0.05 0.00 -0.36 0.00 0.00 55.97 58.38 3g5a s LYS 302 Cb -0.53 -3.30 -0.06 0.00 -1.51 0.00 0.00 37.83 32.42 3g5a s LYS 302 CO 0.50 -0.47 0.02 0.15 -0.36 0.00 0.00 175.35 175.19 3g5a s LYS 303 N 1.35 1.62 0.00 4.03 -0.14 -1.26 -5.21 119.74 120.13 3g5a s LYS 303 Ca 0.65 -1.88 0.00 0.00 -1.36 0.00 0.00 55.97 53.38 3g5a s LYS 303 Cb -0.36 -0.96 0.00 0.00 -1.68 0.00 0.00 37.83 34.82 3g5a s LYS 303 CO 0.30 -0.12 0.00 1.63 -0.76 0.00 0.00 175.35 176.40