#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n4r s ASP 19 N 0.00 4.81 -0.59 -1.43 3.84 -1.26 -5.06 116.67 116.98 1n4r s ASP 19 Ca 0.00 -0.27 -0.28 0.00 -0.00 0.00 0.00 52.55 52.01 1n4r s ASP 19 Cb 0.00 -1.07 0.02 0.00 -1.38 0.00 0.00 42.92 40.49 1n4r s ASP 19 CO 0.00 0.17 1.34 0.12 -0.00 0.00 0.00 175.17 176.80 1n4r s PHE 20 N -1.33 2.37 -1.24 2.11 5.36 -1.26 -4.93 117.98 119.07 1n4r s PHE 20 Ca 0.25 0.40 -0.09 0.00 -0.96 0.00 0.00 56.93 56.53 1n4r s PHE 20 Cb -0.11 -4.45 -0.07 0.00 -0.34 0.00 0.00 43.02 38.05 1n4r s PHE 20 CO 0.17 -1.88 2.47 1.28 -1.46 0.00 0.00 175.22 175.80 1n4r n LEU 21 N 9.26 6.62 -0.33 6.12 4.32 -1.26 -4.80 117.00 136.94 1n4r n LEU 21 Ca 0.10 -3.58 0.03 0.00 -0.02 0.00 0.00 56.01 52.55 1n4r n LEU 21 Cb 0.49 -1.32 0.11 0.00 -1.62 0.00 0.00 43.42 41.08 1n4r n LEU 21 CO 0.71 1.21 0.66 -0.09 -1.22 0.00 0.00 177.39 178.67 1n4r h ARG 22 N 5.82 -0.01 -0.39 3.23 2.43 -1.97 -0.79 114.38 122.72 1n4r h ARG 22 Ca 0.66 0.00 0.02 0.00 -0.81 0.00 0.00 59.98 59.84 1n4r h ARG 22 Cb 0.26 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.79 1n4r h ARG 22 CO 1.64 -0.00 0.23 -0.44 -1.51 0.00 0.00 179.97 179.88 1n4r h ASP 23 N -0.01 0.37 -0.43 -3.80 3.32 -2.00 -1.23 116.42 112.65 1n4r h ASP 23 Ca 0.42 0.00 0.06 0.00 0.02 0.00 0.00 57.03 57.53 1n4r h ASP 23 Cb 0.66 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 40.10 1n4r h ASP 23 CO -0.94 0.27 0.29 -0.09 -1.72 0.00 0.00 179.24 177.05 1n4r h ARG 24 N 0.47 0.32 0.00 3.56 2.43 -1.56 0.02 114.38 119.61 1n4r h ARG 24 Ca 0.15 -0.02 -0.17 0.00 -0.81 0.00 0.00 59.98 59.13 1n4r h ARG 24 Cb -0.00 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.45 1n4r h ARG 24 CO -0.07 0.21 -0.82 0.45 -1.51 0.00 0.00 179.97 178.24 1n4r h HIS 25 N 0.33 0.00 -0.34 2.20 3.86 -0.88 -2.08 115.15 118.25 1n4r h HIS 25 Ca 0.19 0.00 -0.05 0.00 -1.16 0.00 0.00 60.37 59.35 1n4r h HIS 25 Cb 0.33 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.78 1n4r h HIS 25 CO -0.00 0.82 0.01 0.28 0.86 0.00 0.00 177.93 179.89 1n4r h VAL 26 N 0.00 1.26 -0.32 2.45 2.07 0.14 -1.89 116.25 119.96 1n4r h VAL 26 Ca -0.01 -0.95 -0.00 0.00 0.82 0.00 0.00 66.70 66.56 1n4r h VAL 26 Cb 1.47 1.20 -0.02 0.00 -1.52 0.00 0.00 31.29 32.43 1n4r h VAL 26 CO 0.11 0.31 0.19 0.03 0.02 0.00 0.00 177.57 178.23 1n4r h ARG 27 N 0.41 0.43 -0.43 1.57 3.08 -1.29 -1.30 114.38 116.85 1n4r h ARG 27 Ca 0.10 -0.04 0.09 0.00 0.07 0.00 0.00 59.98 60.19 1n4r h ARG 27 Cb 0.44 -0.09 -0.08 0.00 0.08 0.00 0.00 29.97 30.32 1n4r h ARG 27 CO 0.02 0.33 -0.09 0.35 -1.07 0.00 0.00 179.97 179.50 1n4r h PHE 28 N 0.41 -0.20 -0.41 3.04 3.57 -1.18 0.53 116.94 122.68 1n4r h PHE 28 Ca 0.11 0.04 -0.06 0.00 3.53 0.00 0.00 57.97 61.59 1n4r h PHE 28 Cb 0.01 0.16 -0.02 0.00 2.79 0.00 0.00 35.95 38.89 1n4r h PHE 28 CO -0.04 -0.18 -0.01 0.74 -2.23 0.00 0.00 178.31 176.59 1n4r h PHE 29 N 0.01 0.70 -0.57 0.41 0.05 -1.05 -2.30 116.94 114.20 1n4r h PHE 29 Ca 0.21 -0.09 -0.02 0.00 3.82 0.00 0.00 57.97 61.89 1n4r h PHE 29 Cb 0.32 -0.20 -0.03 0.00 2.00 0.00 0.00 35.95 38.05 1n4r h PHE 29 CO -0.37 0.67 0.27 1.96 -0.18 0.00 0.00 178.31 180.66 1n4r h GLN 30 N 0.63 0.82 -0.13 1.51 4.20 0.05 -2.30 115.11 119.89 1n4r h GLN 30 Ca 0.13 -0.12 -0.04 0.00 0.06 0.00 0.00 58.65 58.67 1n4r h GLN 30 Cb 0.41 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 28.03 1n4r h GLN 30 CO 0.02 0.67 -0.10 0.00 -0.67 0.00 0.00 178.83 178.74 1n4r h ARG 31 N 0.77 0.20 -0.53 1.46 3.08 -0.67 -2.75 114.38 115.94 1n4r h ARG 31 Ca 0.19 -0.04 -0.04 0.00 0.07 0.00 0.00 59.98 60.16 1n4r h ARG 31 Cb 0.12 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.12 1n4r h ARG 31 CO -0.02 0.32 0.16 0.00 -1.07 0.00 0.00 179.97 179.36 1n4r n LEU 33 N -4.46 0.32 0.00 0.00 7.99 -1.05 -4.37 117.00 115.42 1n4r n LEU 33 Ca 0.02 0.57 0.00 0.00 -0.01 0.00 0.00 56.01 56.59 1n4r n LEU 33 Cb 0.20 -0.52 0.00 0.00 -0.11 0.00 0.00 43.42 42.99 1n4r n LEU 33 CO 0.39 -0.37 0.00 0.00 -1.51 0.00 0.00 177.39 175.91 1n4r n GLN 34 N -1.84 0.00 -3.87 3.23 6.02 -0.88 -5.06 117.38 114.99 1n4r n GLN 34 Ca 0.03 0.00 -0.12 0.00 -0.01 0.00 0.00 57.00 56.90 1n4r n GLN 34 Cb 0.21 -0.16 -0.14 0.00 1.02 0.00 0.00 30.24 31.17 1n4r n GLN 34 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1n4r s VAL 35 N 0.00 0.00 0.08 5.09 1.01 -1.19 -5.13 120.40 120.26 1n4r s VAL 35 Ca 0.00 -0.04 0.08 0.00 0.00 0.00 0.00 61.98 62.02 1n4r s VAL 35 Cb 0.00 -0.05 -0.04 0.00 0.00 0.00 0.00 36.38 36.29 1n4r s VAL 35 CO 0.00 -0.02 -0.17 -0.76 0.00 0.00 0.00 175.10 174.15 1n4r s LEU 36 N -0.05 2.69 0.48 3.92 1.43 -1.26 -4.83 118.68 121.06 1n4r s LEU 36 Ca -0.01 -0.47 -0.22 0.00 -1.03 0.00 0.00 54.13 52.40 1n4r s LEU 36 Cb -0.01 -1.56 -0.07 0.00 0.03 0.00 0.00 46.19 44.59 1n4r s LEU 36 CO 0.00 0.22 1.13 -2.84 0.23 0.00 0.00 176.35 175.09 1n4r s PRO 37 N -1.79 3.67 0.49 1.29 0.02 -1.26 -4.87 135.00 132.56 1n4r s PRO 37 Ca 0.16 1.67 0.10 0.00 0.02 0.00 0.00 61.00 62.95 1n4r s PRO 37 Cb -0.11 -2.27 0.54 0.00 0.02 0.00 0.00 34.50 32.68 1n4r s PRO 37 CO 0.08 -0.60 1.21 1.05 -0.33 0.00 0.00 177.00 178.41 1n4r h GLU 38 N 1.79 0.00 0.00 5.54 9.09 -2.03 0.14 114.58 129.11 1n4r h GLU 38 Ca -0.49 0.00 0.00 0.00 0.05 0.00 0.00 59.36 58.92 1n4r h GLU 38 Cb 1.25 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.35 1n4r h GLU 38 CO 0.59 0.00 0.00 2.89 0.05 0.00 0.00 179.01 182.54 1n4r n ARG 39 N -2.27 0.83 -0.19 1.06 1.85 -1.26 -2.49 116.66 114.19 1n4r n ARG 39 Ca -0.01 0.00 0.09 0.00 -1.00 0.00 0.00 57.85 56.93 1n4r n ARG 39 Cb 0.62 -1.38 0.17 0.00 -1.05 0.00 0.00 32.46 30.82 1n4r n ARG 39 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 177.63 178.28 1n4r n TYR 40 N -0.88 0.31 0.14 2.89 4.02 0.48 -4.72 117.16 119.41 1n4r n TYR 40 Ca 0.15 -0.91 0.19 0.00 -0.01 0.00 0.00 57.90 57.33 1n4r n TYR 40 Cb 0.07 -0.19 0.77 0.00 -0.02 0.00 0.00 39.34 39.97 1n4r n TYR 40 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 1n4r h SER 41 N 0.64 0.00 0.27 7.72 4.64 -1.67 -0.74 113.55 124.41 1n4r h SER 41 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1n4r h SER 41 Cb 1.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.18 1n4r h SER 41 CO 0.07 0.00 0.00 -1.54 -0.87 0.00 0.00 176.83 174.49 1n4r n SER 42 N -3.65 0.00 -0.60 4.97 3.41 -1.26 -2.15 113.62 114.34 1n4r n SER 42 Ca 0.05 -0.08 0.09 0.00 -0.26 0.00 0.00 58.87 58.67 1n4r n SER 42 Cb 0.54 -0.23 0.05 0.00 -0.26 0.00 0.00 64.21 64.31 1n4r n SER 42 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1n4r n LEU 43 N -1.23 2.21 -0.26 1.04 4.77 -0.28 -4.64 117.00 118.61 1n4r n LEU 43 Ca 0.09 -0.92 -0.01 0.00 -0.03 0.00 0.00 56.01 55.15 1n4r n LEU 43 Cb 0.13 0.00 0.06 0.00 -2.33 0.00 0.00 43.42 41.28 1n4r n LEU 43 CO 0.13 0.40 0.67 -0.08 -1.33 0.00 0.00 177.39 177.18 1n4r h GLU 44 N 2.95 -0.05 0.00 3.23 4.57 -1.57 0.31 114.58 124.02 1n4r h GLU 44 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1n4r h GLU 44 Cb 0.69 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 29.29 1n4r h GLU 44 CO 0.00 -0.03 0.00 0.25 -1.18 0.00 0.00 179.01 178.05 1n4r n THR 45 N -5.48 0.00 -2.64 0.32 -2.24 -1.26 -3.07 114.28 99.91 1n4r n THR 45 Ca 0.09 0.00 0.02 0.00 -2.27 0.00 0.00 64.05 61.89 1n4r n THR 45 Cb 0.38 -0.41 0.03 0.00 -2.10 0.00 0.00 70.33 68.23 1n4r n THR 45 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1n4r n SER 46 N -0.83 1.28 0.21 3.42 3.41 0.94 -4.04 113.62 118.02 1n4r n SER 46 Ca 0.13 -2.03 0.06 0.00 -0.26 0.00 0.00 58.87 56.77 1n4r n SER 46 Cb 0.06 -0.38 0.52 0.00 -0.26 0.00 0.00 64.21 64.15 1n4r n SER 46 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 1n4r h ARG 47 N 1.72 0.05 -0.07 4.33 3.08 -1.09 -2.03 114.38 120.37 1n4r h ARG 47 Ca -0.19 -0.01 -0.02 0.00 0.07 0.00 0.00 59.98 59.83 1n4r h ARG 47 Cb 1.61 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 31.65 1n4r h ARG 47 CO 0.14 0.16 -0.07 1.25 -1.07 0.00 0.00 179.97 180.38 1n4r h LEU 48 N 0.05 0.09 -0.34 3.04 5.85 -1.61 -0.05 115.31 122.33 1n4r h LEU 48 Ca 0.01 -0.01 -0.14 0.00 0.84 0.00 0.00 57.88 58.58 1n4r h LEU 48 Cb 0.22 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.21 1n4r h LEU 48 CO 0.01 0.18 -0.66 0.71 -0.34 0.00 0.00 178.44 178.34 1n4r h THR 49 N 0.10 1.25 -0.13 1.05 1.35 -1.67 -1.35 112.91 113.51 1n4r h THR 49 Ca 0.02 -2.44 -0.17 0.00 -0.55 0.00 0.00 66.41 63.27 1n4r h THR 49 Cb 0.19 2.40 -0.01 0.00 -1.73 0.00 0.00 68.15 69.01 1n4r h THR 49 CO 0.01 0.64 -0.63 0.40 -0.25 0.00 0.00 175.52 175.70 1n4r h ILE 50 N 0.00 1.35 -0.26 6.82 1.08 -1.19 -1.57 117.51 123.74 1n4r h ILE 50 Ca -0.01 -1.94 -0.01 0.00 -0.39 0.00 0.00 64.86 62.51 1n4r h ILE 50 Cb 1.35 1.93 -0.01 0.00 -3.07 0.00 0.00 36.82 37.02 1n4r h ILE 50 CO 0.09 0.59 0.12 0.00 -0.69 0.00 0.00 178.15 178.26 1n4r h ALA 51 N 0.99 0.34 -0.29 1.87 0.00 -0.83 -2.22 119.26 119.12 1n4r h ALA 51 Ca -0.01 -0.10 0.05 0.00 0.00 0.00 0.00 54.91 54.85 1n4r h ALA 51 Cb 1.17 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.81 1n4r h ALA 51 CO 0.11 -0.09 -0.01 0.35 0.00 0.00 0.00 179.25 179.61 1n4r h PHE 52 N 0.29 -0.03 -0.56 0.00 3.57 -1.02 0.33 116.94 119.52 1n4r h PHE 52 Ca 0.09 0.02 0.08 0.00 3.53 0.00 0.00 57.97 61.69 1n4r h PHE 52 Cb 0.13 0.06 -0.06 0.00 2.79 0.00 0.00 35.95 38.86 1n4r h PHE 52 CO -0.02 -0.06 0.22 0.74 -2.23 0.00 0.00 178.31 176.97 1n4r h PHE 53 N 0.08 0.40 -0.18 0.41 0.05 -1.09 0.19 116.94 116.80 1n4r h PHE 53 Ca 0.14 0.03 -0.09 0.00 3.82 0.00 0.00 57.97 61.86 1n4r h PHE 53 Cb 0.19 -0.09 -0.00 0.00 2.00 0.00 0.00 35.95 38.04 1n4r h PHE 53 CO -0.22 0.13 -0.25 0.00 -0.18 0.00 0.00 178.31 177.79 1n4r h ALA 54 N 1.36 0.27 -0.08 2.45 0.00 -0.77 -0.20 119.26 122.30 1n4r h ALA 54 Ca 0.27 -0.38 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 1n4r h ALA 54 Cb 0.29 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 1n4r h ALA 54 CO -0.26 0.24 -0.07 -0.07 0.00 0.00 0.00 179.25 179.09 1n4r h LEU 55 N 0.13 0.20 -1.34 0.00 3.38 -0.19 -0.25 115.31 117.24 1n4r h LEU 55 Ca 0.02 -0.48 -0.07 0.00 0.09 0.00 0.00 57.88 57.44 1n4r h LEU 55 Cb 0.81 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.50 1n4r h LEU 55 CO 0.06 0.64 -0.33 -1.28 0.09 0.00 0.00 178.44 177.62 1n4r h SER 56 N -0.24 0.00 -0.35 -0.43 0.87 -0.72 -0.81 113.55 111.87 1n4r h SER 56 Ca 0.01 0.00 -0.14 0.00 -1.23 0.00 0.00 61.79 60.43 1n4r h SER 56 Cb 0.58 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.54 1n4r h SER 56 CO 0.02 0.33 -0.35 1.23 -0.53 0.00 0.00 176.83 177.53 1n4r h GLY 57 N 1.11 0.92 1.48 5.77 0.00 -0.88 -1.22 103.07 110.25 1n4r h GLY 57 Ca -0.00 -0.95 -0.13 0.00 0.00 0.00 0.00 47.33 46.25 1n4r h GLY 57 CO 0.04 0.86 -0.39 1.41 0.00 0.00 0.00 176.54 178.46 1n4r h LEU 58 N 0.64 0.61 -0.22 3.11 3.38 -0.57 -2.19 115.31 120.07 1n4r h LEU 58 Ca 0.05 -0.27 -0.00 0.00 0.09 0.00 0.00 57.88 57.76 1n4r h LEU 58 Cb 0.94 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.51 1n4r h LEU 58 CO 0.09 0.93 0.13 -0.78 0.09 0.00 0.00 178.44 178.90 1n4r h ASP 59 N 0.47 0.27 0.01 -0.43 -0.00 -1.07 0.19 116.42 115.87 1n4r h ASP 59 Ca 0.04 -0.07 -0.00 0.00 -0.00 0.00 0.00 57.03 57.00 1n4r h ASP 59 Cb 0.89 -0.07 -0.00 0.00 -0.00 0.00 0.00 39.33 40.15 1n4r h ASP 59 CO 0.08 0.27 -0.01 -0.03 -0.00 0.00 0.00 179.24 179.54 1n4r h MET 60 N 0.26 0.00 -0.54 0.28 4.05 -0.99 0.15 114.93 118.13 1n4r h MET 60 Ca 0.08 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.50 1n4r h MET 60 Cb 0.05 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 30.85 1n4r h MET 60 CO -0.01 0.01 0.00 1.28 0.23 0.00 0.00 176.91 178.41 1n4r n LEU 61 N -4.18 3.69 -3.60 3.39 4.77 -0.75 -0.43 117.00 119.90 1n4r n LEU 61 Ca -0.03 -1.71 -0.23 0.00 -0.03 0.00 0.00 56.01 54.02 1n4r n LEU 61 Cb 0.09 -0.35 0.04 0.00 -2.33 0.00 0.00 43.42 40.88 1n4r n LEU 61 CO 0.31 0.85 -0.05 -0.67 -1.33 0.00 0.00 177.39 176.50 1n4r n ASP 62 N 1.57 -3.30 -0.77 -1.43 2.03 0.51 -4.92 116.55 110.24 1n4r n ASP 62 Ca 0.22 -0.84 0.03 0.00 0.52 0.00 0.00 54.79 54.71 1n4r n ASP 62 Cb 0.62 -4.13 0.05 0.00 -0.72 0.00 0.00 41.12 36.93 1n4r n ASP 62 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 1n4r n SER 63 N -2.99 0.82 0.00 1.67 7.64 0.45 -4.84 113.62 116.37 1n4r n SER 63 Ca -0.20 -2.34 0.02 0.00 1.01 0.00 0.00 58.87 57.35 1n4r n SER 63 Cb 0.64 -0.30 0.10 0.00 -1.01 0.00 0.00 64.21 63.65 1n4r n SER 63 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1n4r n LEU 64 N -0.15 0.00 0.14 -3.43 4.77 -1.25 -1.89 117.00 115.19 1n4r n LEU 64 Ca 0.06 0.33 0.13 0.00 -0.03 0.00 0.00 56.01 56.50 1n4r n LEU 64 Cb 0.83 -0.33 0.37 0.00 -2.33 0.00 0.00 43.42 41.96 1n4r n LEU 64 CO -0.02 -0.29 0.87 -2.24 -1.33 0.00 0.00 177.39 174.39 1n4r h ASP 65 N 0.00 0.00 -0.03 -1.43 2.03 -1.94 -3.22 116.42 111.83 1n4r h ASP 65 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 1n4r h ASP 65 Cb 0.05 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.55 1n4r h ASP 65 CO 0.00 0.00 0.00 1.33 -1.03 0.00 0.00 179.24 179.54 1n4r n VAL 66 N -2.50 0.05 -4.13 4.15 0.24 -0.79 -4.79 118.33 110.55 1n4r n VAL 66 Ca 0.05 -0.04 -0.12 0.00 -2.04 0.00 0.00 64.34 62.19 1n4r n VAL 66 Cb 0.43 -0.09 -0.11 0.00 -1.47 0.00 0.00 33.84 32.60 1n4r n VAL 66 CO 0.00 0.00 0.00 0.68 -2.14 0.00 0.00 176.83 175.37 1n4r s VAL 67 N -1.76 0.65 -0.98 3.34 -7.23 -1.22 -5.08 120.40 108.12 1n4r s VAL 67 Ca 0.02 -1.59 -0.19 0.00 -1.81 0.00 0.00 61.98 58.41 1n4r s VAL 67 Cb 0.01 -1.25 0.11 0.00 0.56 0.00 0.00 36.38 35.82 1n4r s VAL 67 CO 0.01 -0.66 1.23 0.21 -0.31 0.00 0.00 175.10 175.58 1n4r s ASN 68 N -2.44 6.64 0.52 4.85 3.84 -1.26 -4.85 114.94 122.24 1n4r s ASN 68 Ca 0.03 -2.00 0.36 0.00 0.21 0.00 0.00 52.86 51.46 1n4r s ASN 68 Cb -0.01 -2.44 1.52 0.00 -0.55 0.00 0.00 41.25 39.76 1n4r s ASN 68 CO -0.02 -1.14 1.75 0.11 -2.79 0.00 0.00 177.10 175.01 1n4r h LYS 69 N 8.89 0.06 -0.13 0.43 1.57 -1.92 -0.38 116.57 125.08 1n4r h LYS 69 Ca 0.19 -0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.86 1n4r h LYS 69 Cb 1.01 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.31 1n4r h LYS 69 CO 1.20 0.04 -0.32 -0.44 -0.57 0.00 0.00 179.45 179.35 1n4r h ASP 70 N 0.06 0.51 0.15 0.86 3.32 -1.92 -2.09 116.42 117.30 1n4r h ASP 70 Ca 0.64 -0.58 -0.01 0.00 0.02 0.00 0.00 57.03 57.11 1n4r h ASP 70 Cb 2.41 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 41.82 1n4r h ASP 70 CO -0.07 0.99 -0.07 0.44 -1.72 0.00 0.00 179.24 178.81 1n4r h ASP 71 N 0.04 -0.17 -0.75 6.45 3.32 -1.50 -2.61 116.42 121.21 1n4r h ASP 71 Ca -0.00 -0.12 0.06 0.00 0.02 0.00 0.00 57.03 56.98 1n4r h ASP 71 Cb 0.92 0.04 -0.05 0.00 0.22 0.00 0.00 39.33 40.47 1n4r h ASP 71 CO 0.07 0.02 0.49 0.40 -1.72 0.00 0.00 179.24 178.50 1n4r h ILE 72 N -0.36 1.04 -0.44 0.35 2.04 -1.52 -1.01 117.51 117.60 1n4r h ILE 72 Ca -0.02 -0.28 -0.07 0.00 1.00 0.00 0.00 64.86 65.49 1n4r h ILE 72 Cb 0.28 0.16 -0.02 0.00 -0.74 0.00 0.00 36.82 36.51 1n4r h ILE 72 CO 0.03 0.15 -0.02 0.40 0.00 0.00 0.00 178.15 178.71 1n4r h ILE 73 N 0.80 1.24 -0.38 -0.67 2.04 -1.20 -0.94 117.51 118.40 1n4r h ILE 73 Ca 0.32 -1.00 -0.15 0.00 1.00 0.00 0.00 64.86 65.03 1n4r h ILE 73 Cb 0.22 0.92 -0.01 0.00 -0.74 0.00 0.00 36.82 37.21 1n4r h ILE 73 CO -0.11 0.35 -0.35 -0.33 0.00 0.00 0.00 178.15 177.71 1n4r h GLU 74 N 0.69 0.88 -0.17 2.37 4.39 -0.85 -1.75 114.58 120.14 1n4r h GLU 74 Ca 0.13 -0.44 0.00 0.00 0.34 0.00 0.00 59.36 59.40 1n4r h GLU 74 Cb 0.45 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.10 1n4r h GLU 74 CO 0.02 1.08 0.11 2.35 -1.16 0.00 0.00 179.01 181.41 1n4r h TRP 75 N 0.73 0.21 -0.40 4.33 7.01 -0.92 -1.68 115.95 125.24 1n4r h TRP 75 Ca 0.07 0.00 0.01 0.00 2.11 0.00 0.00 58.89 61.09 1n4r h TRP 75 Cb 0.92 -0.07 -0.02 0.00 -2.10 0.00 0.00 29.16 27.88 1n4r h TRP 75 CO 0.05 0.15 0.24 0.82 -2.79 0.00 0.00 178.44 176.91 1n4r h ILE 76 N 0.22 1.05 0.00 2.65 2.04 -1.08 -1.82 117.51 120.58 1n4r h ILE 76 Ca 0.06 -0.17 -0.01 0.00 1.00 0.00 0.00 64.86 65.74 1n4r h ILE 76 Cb -0.01 0.52 -0.00 0.00 -0.74 0.00 0.00 36.82 36.59 1n4r h ILE 76 CO -0.01 0.09 -0.06 1.88 0.00 0.00 0.00 178.15 180.05 1n4r h TYR 77 N 0.49 0.00 0.00 1.37 0.05 -1.07 0.01 116.97 117.81 1n4r h TYR 77 Ca 0.16 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.94 1n4r h TYR 77 Cb -0.01 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.73 1n4r h TYR 77 CO -0.07 0.06 0.00 -1.13 -1.05 0.00 0.00 178.16 175.97 1n4r n SER 78 N -3.41 0.25 -0.45 3.88 3.41 -0.65 -2.39 113.62 114.27 1n4r n SER 78 Ca -0.02 0.55 0.12 0.00 -0.26 0.00 0.00 58.87 59.26 1n4r n SER 78 Cb 0.20 -0.60 0.24 0.00 -0.26 0.00 0.00 64.21 63.79 1n4r n SER 78 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1n4r n LEU 79 N -1.76 1.66 -4.72 1.04 4.77 -0.01 -4.61 117.00 113.38 1n4r n LEU 79 Ca 0.04 -0.55 -0.42 0.00 -0.03 0.00 0.00 56.01 55.06 1n4r n LEU 79 Cb 0.26 -0.05 -0.03 0.00 -2.33 0.00 0.00 43.42 41.26 1n4r n LEU 79 CO 0.20 0.30 0.72 -1.58 -1.33 0.00 0.00 177.39 175.70 1n4r s GLN 80 N -2.36 4.58 -0.69 3.23 0.74 -1.00 -0.34 119.66 123.81 1n4r s GLN 80 Ca 0.25 1.50 -0.21 0.00 0.05 0.00 0.00 55.36 56.95 1n4r s GLN 80 Cb 0.19 -3.41 0.09 0.00 1.10 0.00 0.00 33.01 30.98 1n4r s GLN 80 CO 0.48 -0.01 0.91 0.08 -0.55 0.00 0.00 175.29 176.20 1n4r s VAL 81 N 0.70 4.57 0.44 1.34 1.01 0.79 -4.89 120.40 124.37 1n4r s VAL 81 Ca 0.52 -0.81 -0.12 0.00 0.00 0.00 0.00 61.98 61.57 1n4r s VAL 81 Cb -0.23 -4.64 -0.07 0.00 0.00 0.00 0.00 36.38 31.44 1n4r s VAL 81 CO 0.29 -1.36 0.83 -0.76 0.00 0.00 0.00 175.10 174.11 1n4r s LEU 82 N 3.33 3.75 0.59 3.92 1.43 -1.26 -3.20 118.68 127.24 1n4r s LEU 82 Ca 0.20 1.25 -0.17 0.00 -1.03 0.00 0.00 54.13 54.38 1n4r s LEU 82 Cb -0.17 -4.15 -0.03 0.00 0.03 0.00 0.00 46.19 41.86 1n4r s LEU 82 CO 0.05 -0.47 1.11 -2.16 0.23 0.00 0.00 176.35 175.12 1n4r s PRO 83 N -3.97 3.15 0.76 1.29 0.04 -1.26 -4.49 135.00 130.52 1n4r s PRO 83 Ca 0.53 1.48 -0.10 0.00 0.04 0.00 0.00 61.00 62.96 1n4r s PRO 83 Cb -0.10 -1.99 0.06 0.00 0.04 0.00 0.00 34.50 32.51 1n4r s PRO 83 CO 0.32 -0.99 1.11 0.95 0.04 0.00 0.00 177.00 178.43 1n4r s THR 84 N -2.05 2.33 0.20 1.26 -4.23 -1.26 -3.18 115.64 108.70 1n4r s THR 84 Ca 0.70 -0.02 -0.19 0.00 -1.18 0.00 0.00 61.69 61.00 1n4r s THR 84 Cb -0.22 -3.08 0.16 0.00 1.34 0.00 0.00 72.50 70.71 1n4r s THR 84 CO 0.33 -0.10 1.59 1.05 -0.54 0.00 0.00 174.62 176.96 1n4r h GLU 85 N -0.84 -0.12 0.00 3.99 9.09 -1.96 0.40 114.58 125.14 1n4r h GLU 85 Ca -0.45 0.01 0.00 0.00 0.05 0.00 0.00 59.36 58.96 1n4r h GLU 85 Cb 1.31 0.03 0.00 0.00 -1.65 0.00 0.00 28.75 28.44 1n4r h GLU 85 CO 0.64 -0.08 0.00 -0.40 0.05 0.00 0.00 179.01 179.22 1n4r n ASP 86 N -5.44 0.00 -3.88 3.06 3.85 -1.26 -4.88 116.55 108.00 1n4r n ASP 86 Ca 0.05 -1.64 -0.29 0.00 -0.71 0.00 0.00 54.79 52.20 1n4r n ASP 86 Cb 0.36 0.00 -0.05 0.00 -1.35 0.00 0.00 41.12 40.08 1n4r n ASP 86 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.20 176.73 1n4r n ARG 87 N -0.53 -1.64 0.00 0.11 1.74 0.14 -4.79 116.66 111.69 1n4r n ARG 87 Ca 0.01 0.13 0.13 0.00 -0.77 0.00 0.00 57.85 57.36 1n4r n ARG 87 Cb 0.01 -4.71 0.45 0.00 -1.02 0.00 0.00 32.46 27.19 1n4r n ARG 87 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 1n4r n SER 88 N -2.19 1.20 -1.03 0.55 3.41 -1.26 -4.09 113.62 110.21 1n4r n SER 88 Ca 0.08 -1.13 -0.03 0.00 -0.26 0.00 0.00 58.87 57.52 1n4r n SER 88 Cb 0.47 0.07 0.15 0.00 -0.26 0.00 0.00 64.21 64.65 1n4r n SER 88 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 1n4r n ASN 89 N -0.32 2.68 -0.24 4.04 6.94 -1.26 -4.79 115.26 122.30 1n4r n ASN 89 Ca 0.15 -3.86 -0.02 0.00 -0.02 0.00 0.00 54.58 50.83 1n4r n ASN 89 Cb 0.35 -0.48 0.17 0.00 -2.36 0.00 0.00 39.78 37.45 1n4r n ASN 89 CO 0.00 0.00 0.00 -0.07 -1.03 0.00 0.00 177.26 176.16 1n4r h LEU 90 N 1.34 0.95 0.00 -4.53 3.38 -1.95 -1.91 115.31 112.58 1n4r h LEU 90 Ca 0.12 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1n4r h LEU 90 Cb 1.17 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.68 1n4r h LEU 90 CO 0.24 0.78 0.00 0.47 0.09 0.00 0.00 178.44 180.02 1n4r n ASP 91 N -4.34 0.00 -0.01 -0.43 8.00 -1.26 -2.41 116.55 116.10 1n4r n ASP 91 Ca 0.07 -0.22 0.01 0.00 0.71 0.00 0.00 54.79 55.36 1n4r n ASP 91 Cb 0.12 -0.07 0.01 0.00 -0.02 0.00 0.00 41.12 41.16 1n4r n ASP 91 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1n4r n ARG 92 N -1.07 2.73 -2.46 -1.24 1.74 -0.72 -4.65 116.66 110.99 1n4r n ARG 92 Ca 0.07 -1.55 -0.30 0.00 -0.77 0.00 0.00 57.85 55.30 1n4r n ARG 92 Cb 0.05 -1.02 -0.02 0.00 -1.02 0.00 0.00 32.46 30.45 1n4r n ARG 92 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1n4r n GLY 94 N -1.93 0.08 3.33 0.00 0.00 -1.19 -4.45 105.19 101.01 1n4r n GLY 94 Ca 0.04 -0.96 -0.21 0.00 0.00 0.00 0.00 46.02 44.89 1n4r n GLY 94 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1n4r s PHE 95 N -4.00 1.80 0.24 1.61 0.40 -1.26 -0.15 117.98 116.62 1n4r s PHE 95 Ca 0.00 -0.48 0.02 0.00 -0.60 0.00 0.00 56.93 55.87 1n4r s PHE 95 Cb 0.00 -0.89 -0.04 0.00 0.51 0.00 0.00 43.02 42.60 1n4r s PHE 95 CO 0.00 0.33 0.41 1.03 0.70 0.00 0.00 175.22 177.69 1n4r s ARG 96 N -2.88 3.48 0.26 0.44 0.52 0.54 -0.76 118.95 120.55 1n4r s ARG 96 Ca 0.16 -0.49 0.13 0.00 -0.52 0.00 0.00 55.73 55.01 1n4r s ARG 96 Cb -0.05 -2.83 0.25 0.00 0.52 0.00 0.00 34.95 32.84 1n4r s ARG 96 CO 0.07 0.37 1.53 0.78 0.02 0.00 0.00 175.30 178.06 1n4r h GLY 97 N 1.50 0.00 -0.07 -3.53 0.00 -1.89 -3.46 103.07 95.62 1n4r h GLY 97 Ca -0.50 0.00 0.01 0.00 0.00 0.00 0.00 47.33 46.84 1n4r h GLY 97 CO 0.65 0.00 0.03 -1.14 0.00 0.00 0.00 176.54 176.08 1n4r n SER 98 N -3.51 -0.09 -1.74 0.19 3.41 -1.26 -1.59 113.62 109.03 1n4r n SER 98 Ca -0.00 -1.04 0.01 0.00 -0.26 0.00 0.00 58.87 57.58 1n4r n SER 98 Cb 0.69 0.14 0.31 0.00 -0.26 0.00 0.00 64.21 65.09 1n4r n SER 98 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1n4r n SER 99 N -0.58 4.78 0.33 4.04 3.41 -1.26 -4.63 113.62 119.71 1n4r n SER 99 Ca -0.00 -2.89 0.16 0.00 -0.26 0.00 0.00 58.87 55.88 1n4r n SER 99 Cb 0.03 -0.68 0.85 0.00 -0.26 0.00 0.00 64.21 64.15 1n4r n SER 99 CO 0.00 0.00 0.00 0.10 -0.16 0.00 0.00 175.04 174.98 1n4r h TYR 100 N 2.94 0.00 0.00 7.33 -0.00 -1.96 -0.88 116.97 124.40 1n4r h TYR 100 Ca 0.09 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.82 1n4r h TYR 100 Cb 1.90 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 38.63 1n4r h TYR 100 CO 1.00 0.00 0.00 1.28 -0.00 0.00 0.00 178.16 180.44 1n4r n LEU 101 N -2.87 0.48 0.00 0.10 4.77 -1.26 -4.93 117.00 113.30 1n4r n LEU 101 Ca -0.02 0.56 0.00 0.00 -0.03 0.00 0.00 56.01 56.52 1n4r n LEU 101 Cb 0.33 -0.42 0.00 0.00 -2.33 0.00 0.00 43.42 41.01 1n4r n LEU 101 CO 0.14 -0.17 0.00 0.61 -1.33 0.00 0.00 177.39 176.64 1n4r n GLY 102 N 1.16 0.58 3.75 -0.72 0.00 -0.34 -5.04 105.19 104.58 1n4r n GLY 102 Ca 0.06 -0.78 -0.39 0.00 0.00 0.00 0.00 46.02 44.90 1n4r n GLY 102 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1n4r s ILE 103 N -2.00 4.82 0.07 -0.61 1.01 -1.26 -4.99 121.20 118.24 1n4r s ILE 103 Ca 0.00 1.47 -0.36 0.00 0.00 0.00 0.00 60.65 61.76 1n4r s ILE 103 Cb 0.00 -4.04 -0.15 0.00 0.01 0.00 0.00 42.46 38.28 1n4r s ILE 103 CO 0.00 0.38 1.53 -0.81 0.00 0.00 0.00 174.94 176.04 1n4r n PRO 104 N 2.85 1.68 -1.40 2.79 -0.04 -1.26 -4.80 135.00 134.83 1n4r n PRO 104 Ca -0.04 0.61 -0.53 0.00 -0.04 0.00 0.00 63.50 63.50 1n4r n PRO 104 Cb 0.51 -2.33 -0.08 0.00 -0.04 0.00 0.00 33.50 31.55 1n4r n PRO 104 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1n4r n PHE 105 N 3.57 1.50 -3.52 0.54 7.35 -1.26 -4.92 117.46 120.70 1n4r n PHE 105 Ca 0.19 0.40 -0.29 0.00 -0.76 0.00 0.00 57.45 56.98 1n4r n PHE 105 Cb 0.24 -2.47 -0.14 0.00 0.35 0.00 0.00 39.48 37.46 1n4r n PHE 105 CO 0.00 0.00 0.00 1.21 -0.76 0.00 0.00 176.76 177.21 1n4r s ASN 106 N 6.97 3.35 -0.67 -2.13 2.47 -1.26 -5.06 114.94 118.61 1n4r s ASN 106 Ca 1.12 -1.67 -0.25 0.00 0.42 0.00 0.00 52.86 52.47 1n4r s ASN 106 Cb -1.01 -0.41 -0.22 0.00 -1.45 0.00 0.00 41.25 38.16 1n4r s ASN 106 CO 0.53 -0.39 1.85 -0.81 -3.72 0.00 0.00 177.10 174.57 1n4r n PRO 107 N 4.74 0.91 -4.33 0.43 -0.04 -1.26 -4.22 135.00 131.24 1n4r n PRO 107 Ca 0.01 -1.71 -0.34 0.00 -0.04 0.00 0.00 63.50 61.43 1n4r n PRO 107 Cb 0.40 -3.09 -0.08 0.00 -0.04 0.00 0.00 33.50 30.69 1n4r n PRO 107 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1n4r n SER 108 N 10.88 -0.30 0.00 3.54 7.64 -1.08 -4.77 113.62 129.53 1n4r n SER 108 Ca 0.47 -1.21 0.00 0.00 1.01 0.00 0.00 58.87 59.13 1n4r n SER 108 Cb 0.43 -1.88 0.00 0.00 -1.01 0.00 0.00 64.21 61.75 1n4r n SER 108 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1n4r n LYS 109 N -4.41 0.00 -0.39 1.43 5.02 -1.26 -5.04 118.16 113.50 1n4r n LYS 109 Ca -0.17 0.00 -0.26 0.00 -2.02 0.00 0.00 58.31 55.85 1n4r n LYS 109 Cb 0.61 0.00 0.23 0.00 -0.02 0.00 0.00 35.03 35.86 1n4r n LYS 109 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 1n4r n ASN 110 N 0.00 -3.32 -3.68 4.39 2.04 -1.26 -5.02 115.26 108.41 1n4r n ASN 110 Ca 0.00 -0.56 0.00 0.00 -0.44 0.00 0.00 54.58 53.58 1n4r n ASN 110 Cb 0.00 -0.96 0.00 0.00 -2.53 0.00 0.00 39.78 36.29 1n4r n ASN 110 CO 0.00 0.00 0.00 0.09 -0.44 0.00 0.00 177.26 176.91 1n4r n PRO 111 N -4.09 2.25 -4.10 -0.53 -0.08 -1.26 -4.99 135.00 122.20 1n4r n PRO 111 Ca 0.08 0.00 -0.34 0.00 -0.08 0.00 0.00 63.50 63.16 1n4r n PRO 111 Cb 0.52 0.00 -0.11 0.00 -0.08 0.00 0.00 33.50 33.83 1n4r n PRO 111 CO 0.00 0.00 0.00 0.20 -0.08 0.00 0.00 175.50 175.62 1n4r s GLY 112 N -0.05 1.84 -0.80 1.68 0.00 -1.19 -4.92 107.32 103.88 1n4r s GLY 112 Ca 0.00 -0.80 -0.23 0.00 0.00 0.00 0.00 44.72 43.69 1n4r s GLY 112 CO 0.00 0.06 1.17 -0.51 0.00 0.00 0.00 173.10 173.82 1n4r s THR 113 N 0.47 4.19 0.15 0.90 -4.23 -1.26 -4.64 115.64 111.21 1n4r s THR 113 Ca 0.01 -0.50 -0.32 0.00 -1.18 0.00 0.00 61.69 59.70 1n4r s THR 113 Cb -0.13 -4.83 -0.18 0.00 1.34 0.00 0.00 72.50 68.70 1n4r s THR 113 CO 0.01 -1.66 0.74 0.00 -0.54 0.00 0.00 174.62 173.18 1n4r n ALA 114 N 8.09 -2.83 -3.68 3.99 0.00 -1.26 -5.00 120.51 119.82 1n4r n ALA 114 Ca 0.10 0.48 -0.10 0.00 0.00 0.00 0.00 53.44 53.93 1n4r n ALA 114 Cb 0.48 -1.70 -0.10 0.00 0.00 0.00 0.00 19.45 18.13 1n4r n ALA 114 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1n4r s HIS 115 N -0.66 -0.69 0.40 0.00 5.04 -1.26 -5.06 115.29 113.05 1n4r s HIS 115 Ca 0.72 1.45 0.21 0.00 -1.54 0.00 0.00 55.06 55.89 1n4r s HIS 115 Cb -1.01 0.33 1.18 0.00 0.04 0.00 0.00 32.58 33.12 1n4r s HIS 115 CO 0.56 -0.38 1.73 -1.35 -2.34 0.00 0.00 174.74 172.96 1n4r h PRO 116 N 7.16 0.31 0.00 2.88 0.11 -2.05 -2.94 132.00 137.47 1n4r h PRO 116 Ca -0.35 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.75 1n4r h PRO 116 Cb 1.19 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.23 1n4r h PRO 116 CO 0.26 0.20 -0.02 0.66 -0.21 0.00 0.00 178.00 178.89 1n4r n TYR 117 N -4.67 0.00 -3.24 0.65 4.01 -1.26 -5.02 117.16 107.63 1n4r n TYR 117 Ca 0.29 -0.57 -0.39 0.00 -0.16 0.00 0.00 57.90 57.06 1n4r n TYR 117 Cb 1.02 -0.07 -0.07 0.00 -0.31 0.00 0.00 39.34 39.91 1n4r n TYR 117 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 1n4r s ASP 118 N -1.43 6.59 0.13 7.72 2.15 -1.11 -5.03 116.67 125.69 1n4r s ASP 118 Ca 0.09 0.71 -0.25 0.00 0.43 0.00 0.00 52.55 53.53 1n4r s ASP 118 Cb 0.08 -2.30 0.07 0.00 -0.30 0.00 0.00 42.92 40.47 1n4r s ASP 118 CO 0.01 -0.17 0.84 -0.94 -0.17 0.00 0.00 175.17 174.74 1n4r s SER 119 N 1.10 -0.31 0.92 -0.34 1.04 -1.26 -4.87 113.70 109.97 1n4r s SER 119 Ca 0.25 -0.25 -0.12 0.00 0.48 0.00 0.00 55.95 56.31 1n4r s SER 119 Cb -0.15 0.51 0.14 0.00 0.10 0.00 0.00 66.02 66.62 1n4r s SER 119 CO 0.10 -0.90 1.13 -0.83 0.98 0.00 0.00 173.24 173.72 1n4r s GLY 120 N -2.77 1.58 -0.10 7.32 0.00 -0.41 -4.71 107.32 108.23 1n4r s GLY 120 Ca 0.08 -0.49 0.00 0.00 0.00 0.00 0.00 44.72 44.31 1n4r s GLY 120 CO -0.03 0.07 -0.08 -1.58 0.00 0.00 0.00 173.10 171.48 1n4r s HIS 121 N -3.23 1.36 0.34 1.90 5.04 0.06 -4.58 115.29 116.19 1n4r s HIS 121 Ca 0.64 -0.62 0.13 0.00 -1.54 0.00 0.00 55.06 53.67 1n4r s HIS 121 Cb -0.15 -1.13 1.02 0.00 0.04 0.00 0.00 32.58 32.35 1n4r s HIS 121 CO 0.54 -0.44 1.70 0.97 -2.34 0.00 0.00 174.74 175.18 1n4r h ILE 122 N 6.15 0.42 0.00 0.89 2.10 -1.06 0.48 117.51 126.50 1n4r h ILE 122 Ca -0.30 -0.15 -0.03 0.00 1.08 0.00 0.00 64.86 65.47 1n4r h ILE 122 Cb 1.14 -0.05 -0.00 0.00 -1.09 0.00 0.00 36.82 36.82 1n4r h ILE 122 CO 0.41 0.08 -0.13 0.00 -1.08 0.00 0.00 178.15 177.43 1n4r h ALA 123 N 1.76 0.98 0.09 0.18 0.00 -1.95 -2.03 119.26 118.29 1n4r h ALA 123 Ca 0.68 -0.12 -0.30 0.00 0.00 0.00 0.00 54.91 55.17 1n4r h ALA 123 Cb 1.50 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.25 1n4r h ALA 123 CO -0.50 0.16 -1.56 0.52 0.00 0.00 0.00 179.25 177.86 1n4r h MET 124 N 0.00 0.18 -0.62 0.00 2.86 -0.41 -2.09 114.93 114.85 1n4r h MET 124 Ca -0.00 -0.31 -0.06 0.00 -2.06 0.00 0.00 59.70 57.27 1n4r h MET 124 Cb 0.77 0.12 -0.03 0.00 0.06 0.00 0.00 31.60 32.52 1n4r h MET 124 CO 0.02 1.00 0.15 1.15 1.06 0.00 0.00 176.91 180.28 1n4r h THR 125 N 0.05 1.25 0.83 2.22 2.02 -0.88 0.33 112.91 118.73 1n4r h THR 125 Ca -0.25 -0.93 -0.04 0.00 0.77 0.00 0.00 66.41 65.96 1n4r h THR 125 Cb 2.00 0.67 0.01 0.00 -1.74 0.00 0.00 68.15 69.08 1n4r h THR 125 CO 0.14 0.35 -0.40 0.22 0.37 0.00 0.00 175.52 176.20 1n4r h TYR 126 N 0.91 -1.03 0.00 3.16 3.20 -1.43 -1.89 116.97 119.90 1n4r h TYR 126 Ca 0.19 -0.02 -0.02 0.00 3.14 0.00 0.00 58.73 62.02 1n4r h TYR 126 Cb 0.36 0.34 -0.00 0.00 1.54 0.00 0.00 36.73 38.97 1n4r h TYR 126 CO 0.03 -0.64 -0.12 1.79 -1.64 0.00 0.00 178.16 177.58 1n4r h THR 127 N -1.30 0.77 0.51 1.81 1.35 -1.36 -0.75 112.91 113.94 1n4r h THR 127 Ca -0.11 -0.46 -0.02 0.00 -0.55 0.00 0.00 66.41 65.26 1n4r h THR 127 Cb 0.85 1.27 0.00 0.00 -1.73 0.00 0.00 68.15 68.55 1n4r h THR 127 CO 0.19 0.12 -0.24 1.23 -0.25 0.00 0.00 175.52 176.56 1n4r h GLY 128 N 0.57 -0.71 0.61 5.82 0.00 -0.27 0.60 103.07 109.69 1n4r h GLY 128 Ca -0.00 0.26 0.06 0.00 0.00 0.00 0.00 47.33 47.65 1n4r h GLY 128 CO 0.02 -0.26 0.25 1.41 0.00 0.00 0.00 176.54 177.95 1n4r h LEU 129 N -1.06 0.32 -0.62 3.11 3.38 -1.21 -0.63 115.31 118.60 1n4r h LEU 129 Ca -0.07 0.04 0.08 0.00 0.09 0.00 0.00 57.88 58.02 1n4r h LEU 129 Cb 0.60 -0.01 -0.06 0.00 0.09 0.00 0.00 40.66 41.28 1n4r h LEU 129 CO 0.11 0.22 0.28 -1.28 0.09 0.00 0.00 178.44 177.87 1n4r h SER 130 N 0.47 0.36 -0.54 -0.43 0.87 -1.12 -1.66 113.55 111.49 1n4r h SER 130 Ca 0.25 0.06 -0.07 0.00 -1.23 0.00 0.00 61.79 60.80 1n4r h SER 130 Cb 0.21 -0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.15 1n4r h SER 130 CO -0.21 0.22 0.06 0.00 -0.53 0.00 0.00 176.83 176.37 1n4r h LEU 132 N 0.81 0.17 -0.69 0.00 3.38 -0.58 -0.53 115.31 117.87 1n4r h LEU 132 Ca 0.16 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.15 1n4r h LEU 132 Cb 0.46 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.18 1n4r h LEU 132 CO 0.02 0.14 0.39 0.40 0.09 0.00 0.00 178.44 179.47 1n4r h ILE 133 N 0.29 1.21 -0.63 1.22 2.04 -1.20 -1.66 117.51 118.78 1n4r h ILE 133 Ca 0.15 -0.51 -0.01 0.00 1.00 0.00 0.00 64.86 65.49 1n4r h ILE 133 Cb 0.10 0.30 -0.03 0.00 -0.74 0.00 0.00 36.82 36.44 1n4r h ILE 133 CO -0.13 0.23 0.35 0.40 0.00 0.00 0.00 178.15 179.00 1n4r h ILE 134 N 0.94 1.19 0.00 -0.67 2.04 -0.82 -1.91 117.51 118.28 1n4r h ILE 134 Ca 0.24 -0.46 0.00 0.00 1.00 0.00 0.00 64.86 65.64 1n4r h ILE 134 Cb 0.02 0.33 0.00 0.00 -0.74 0.00 0.00 36.82 36.43 1n4r h ILE 134 CO -0.04 0.21 0.00 0.18 0.00 0.00 0.00 178.15 178.50 1n4r n LEU 135 N -4.39 0.00 0.00 1.44 4.77 -0.26 -4.91 117.00 113.66 1n4r n LEU 135 Ca 0.06 0.27 0.00 0.00 -0.03 0.00 0.00 56.01 56.31 1n4r n LEU 135 Cb 0.09 -0.27 0.00 0.00 -2.33 0.00 0.00 43.42 40.91 1n4r n LEU 135 CO 0.37 -0.01 0.00 0.61 -1.33 0.00 0.00 177.39 177.03 1n4r n GLY 136 N 1.21 0.14 3.54 -0.72 0.00 -0.72 -4.95 105.19 103.70 1n4r n GLY 136 Ca 0.14 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.85 1n4r n GLY 136 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1n4r n ASP 137 N 0.00 -0.82 -0.86 1.61 -0.08 -0.68 -4.93 116.55 110.79 1n4r n ASP 137 Ca 0.00 0.32 0.07 0.00 -1.51 0.00 0.00 54.79 53.67 1n4r n ASP 137 Cb 0.00 -1.34 0.21 0.00 2.34 0.00 0.00 41.12 42.33 1n4r n ASP 137 CO 0.00 0.00 0.00 -0.90 0.12 0.00 0.00 177.20 176.42 1n4r n ASP 138 N -3.13 3.32 -1.32 1.67 5.68 -1.26 -4.52 116.55 116.98 1n4r n ASP 138 Ca 0.09 -2.11 -0.17 0.00 -0.50 0.00 0.00 54.79 52.10 1n4r n ASP 138 Cb 0.53 -0.33 -0.07 0.00 -1.14 0.00 0.00 41.12 40.11 1n4r n ASP 138 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 1n4r n LEU 139 N 0.70 -1.13 0.10 -2.12 4.32 -1.26 -4.86 117.00 112.75 1n4r n LEU 139 Ca 0.16 0.43 0.00 0.00 -0.02 0.00 0.00 56.01 56.58 1n4r n LEU 139 Cb 0.53 -2.72 0.30 0.00 -1.62 0.00 0.00 43.42 39.92 1n4r n LEU 139 CO 0.11 -1.03 0.78 0.77 -1.22 0.00 0.00 177.39 176.80 1n4r h SER 140 N 0.00 0.26 -0.07 -1.43 4.64 -2.02 -2.46 113.55 112.47 1n4r h SER 140 Ca -0.35 -0.08 0.00 0.00 -0.47 0.00 0.00 61.79 60.89 1n4r h SER 140 Cb 1.26 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 1n4r h SER 140 CO 0.52 0.52 0.00 0.54 -0.87 0.00 0.00 176.83 177.54 1n4r n ARG 141 N -4.16 1.37 -3.12 4.77 1.74 -1.26 -4.79 116.66 111.20 1n4r n ARG 141 Ca -0.01 -0.55 -0.40 0.00 -0.77 0.00 0.00 57.85 56.12 1n4r n ARG 141 Cb 0.36 -1.37 -0.06 0.00 -1.02 0.00 0.00 32.46 30.37 1n4r n ARG 141 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1n4r s VAL 142 N -1.91 5.01 -1.26 1.55 1.01 -0.93 -4.96 120.40 118.91 1n4r s VAL 142 Ca 0.32 1.14 -0.19 0.00 0.00 0.00 0.00 61.98 63.26 1n4r s VAL 142 Cb 0.16 -3.93 0.04 0.00 0.00 0.00 0.00 36.38 32.65 1n4r s VAL 142 CO 0.26 0.08 1.77 -0.62 0.00 0.00 0.00 175.10 176.59 1n4r s ASP 143 N 1.31 6.44 0.28 3.32 -1.08 -1.26 -4.80 116.67 120.88 1n4r s ASP 143 Ca 0.27 -2.24 0.01 0.00 -0.52 0.00 0.00 52.55 50.07 1n4r s ASP 143 Cb -0.16 -2.58 0.64 0.00 -1.46 0.00 0.00 42.92 39.36 1n4r s ASP 143 CO 0.09 -1.59 1.70 0.11 0.52 0.00 0.00 175.17 176.01 1n4r h LYS 144 N 8.12 0.38 -0.31 4.34 1.57 -1.93 -1.01 116.57 127.73 1n4r h LYS 144 Ca 0.39 -0.02 -0.09 0.00 -1.87 0.00 0.00 60.65 59.06 1n4r h LYS 144 Cb 0.89 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 33.10 1n4r h LYS 144 CO 1.41 0.25 -0.18 0.93 -0.57 0.00 0.00 179.45 181.30 1n4r h GLU 145 N 0.39 0.56 -0.23 3.15 4.39 -1.99 -1.76 114.58 119.10 1n4r h GLU 145 Ca 0.51 -0.19 -0.04 0.00 0.34 0.00 0.00 59.36 59.98 1n4r h GLU 145 Cb 0.92 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.52 1n4r h GLU 145 CO -0.50 0.71 -0.01 0.00 -1.16 0.00 0.00 179.01 178.04 1n4r h ALA 146 N 1.30 0.31 -0.35 3.43 0.00 -1.59 -0.67 119.26 121.69 1n4r h ALA 146 Ca 0.08 -0.23 0.02 0.00 0.00 0.00 0.00 54.91 54.78 1n4r h ALA 146 Cb 0.59 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 1n4r h ALA 146 CO 0.04 0.05 0.20 0.00 0.00 0.00 0.00 179.25 179.54 1n4r h LEU 148 N 0.41 0.73 -0.55 0.00 3.38 -1.24 0.13 115.31 118.16 1n4r h LEU 148 Ca 0.14 -0.10 -0.06 0.00 0.09 0.00 0.00 57.88 57.95 1n4r h LEU 148 Cb 0.01 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.55 1n4r h LEU 148 CO -0.07 0.67 0.11 0.00 0.09 0.00 0.00 178.44 179.25 1n4r h ALA 149 N 1.43 0.73 -0.70 1.53 0.00 -0.46 -1.44 119.26 120.36 1n4r h ALA 149 Ca 0.19 -0.23 -0.07 0.00 0.00 0.00 0.00 54.91 54.79 1n4r h ALA 149 Cb 0.19 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 1n4r h ALA 149 CO -0.01 0.45 0.15 0.78 0.00 0.00 0.00 179.25 180.62 1n4r h GLY 150 N 0.79 1.21 0.96 0.00 0.00 -0.14 -2.80 103.07 103.09 1n4r h GLY 150 Ca 0.17 -0.77 -0.01 0.00 0.00 0.00 0.00 47.33 46.71 1n4r h GLY 150 CO 0.01 0.72 -0.17 -2.00 0.00 0.00 0.00 176.54 175.10 1n4r h LEU 151 N 1.06 -0.41 -0.94 3.11 6.46 -0.42 -2.58 115.31 121.59 1n4r h LEU 151 Ca 0.22 0.02 0.19 0.00 -0.12 0.00 0.00 57.88 58.19 1n4r h LEU 151 Cb 0.39 0.12 -0.11 0.00 -0.73 0.00 0.00 40.66 40.33 1n4r h LEU 151 CO 0.01 -0.28 0.51 0.03 -0.62 0.00 0.00 178.44 178.08 1n4r h ARG 152 N -0.45 0.59 0.00 1.25 3.08 -1.03 0.86 114.38 118.68 1n4r h ARG 152 Ca -0.04 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 59.97 1n4r h ARG 152 Cb 0.36 -0.13 -0.00 0.00 0.08 0.00 0.00 29.97 30.28 1n4r h ARG 152 CO 0.05 0.39 -0.03 0.00 -1.07 0.00 0.00 179.97 179.31 1n4r h ALA 153 N 1.65 1.36 0.00 0.04 0.00 -1.19 -2.62 119.26 118.50 1n4r h ALA 153 Ca 0.55 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.44 1n4r h ALA 153 Cb 0.93 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.71 1n4r h ALA 153 CO -0.43 0.04 -0.32 -0.07 0.00 0.00 0.00 179.25 178.47 1n4r h LEU 154 N 0.00 0.00 -9.73 0.00 3.38 -0.69 -3.47 115.31 104.80 1n4r h LEU 154 Ca -0.00 -0.00 -0.51 0.00 0.09 0.00 0.00 57.88 57.45 1n4r h LEU 154 Cb 0.10 0.00 0.02 0.00 0.09 0.00 0.00 40.66 40.87 1n4r h LEU 154 CO 0.00 0.00 0.52 -1.58 0.09 0.00 0.00 178.44 177.48 1n4r s GLN 155 N -3.26 4.55 0.60 1.13 0.74 -0.99 -1.92 119.66 120.51 1n4r s GLN 155 Ca 0.05 1.86 0.04 0.00 0.05 0.00 0.00 55.36 57.36 1n4r s GLN 155 Cb 0.07 -3.21 0.08 0.00 1.10 0.00 0.00 33.01 31.04 1n4r s GLN 155 CO 0.71 0.04 0.83 -0.51 -0.55 0.00 0.00 175.29 175.80 1n4r s LEU 156 N -0.83 3.17 0.23 3.68 1.43 0.35 -4.98 118.68 121.73 1n4r s LEU 156 Ca 0.49 -0.48 -0.07 0.00 -1.03 0.00 0.00 54.13 53.04 1n4r s LEU 156 Cb -0.33 -2.11 0.26 0.00 0.03 0.00 0.00 46.19 44.05 1n4r s LEU 156 CO 0.39 -1.40 1.88 1.05 0.23 0.00 0.00 176.35 178.49 1n4r h GLU 157 N -0.02 1.03 0.00 1.70 4.11 -1.96 -1.87 114.58 117.57 1n4r h GLU 157 Ca -0.36 -0.06 0.00 0.00 0.07 0.00 0.00 59.36 59.01 1n4r h GLU 157 Cb 1.28 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 30.30 1n4r h GLU 157 CO 0.43 0.68 0.00 -0.40 0.07 0.00 0.00 179.01 179.79 1n4r n ASP 158 N -4.56 0.00 0.00 3.06 3.85 -1.26 -4.86 116.55 112.78 1n4r n ASP 158 Ca 0.11 -0.92 0.00 0.00 -0.71 0.00 0.00 54.79 53.26 1n4r n ASP 158 Cb 0.10 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 39.87 1n4r n ASP 158 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1n4r n GLY 159 N 0.31 2.89 3.57 6.12 0.00 -0.70 -4.01 105.19 113.37 1n4r n GLY 159 Ca 0.11 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.86 1n4r n GLY 159 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1n4r n SER 160 N 0.00 0.14 -4.29 1.61 3.41 -1.26 -4.00 113.62 109.23 1n4r n SER 160 Ca 0.00 -1.47 -0.17 0.00 -0.26 0.00 0.00 58.87 56.97 1n4r n SER 160 Cb 0.00 -0.93 -0.10 0.00 -0.26 0.00 0.00 64.21 62.92 1n4r n SER 160 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 1n4r s PHE 161 N -3.66 1.49 0.42 7.33 0.40 -1.26 -0.50 117.98 122.20 1n4r s PHE 161 Ca 0.70 -0.65 0.08 0.00 -0.60 0.00 0.00 56.93 56.45 1n4r s PHE 161 Cb -0.02 -0.72 -0.01 0.00 0.51 0.00 0.00 43.02 42.78 1n4r s PHE 161 CO 0.49 0.22 0.46 0.00 0.70 0.00 0.00 175.22 177.09 1n4r n ALA 163 N -1.68 1.33 -2.84 0.00 0.00 -1.26 -4.76 120.51 111.30 1n4r n ALA 163 Ca 0.05 -0.78 -0.12 0.00 0.00 0.00 0.00 53.44 52.60 1n4r n ALA 163 Cb 0.61 -0.72 -0.11 0.00 0.00 0.00 0.00 19.45 19.23 1n4r n ALA 163 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1n4r s VAL 164 N -2.57 0.41 0.51 0.00 -7.23 -1.26 -0.45 120.40 109.81 1n4r s VAL 164 Ca -0.11 -1.09 0.17 0.00 -1.81 0.00 0.00 61.98 59.13 1n4r s VAL 164 Cb 0.07 -0.58 0.26 0.00 0.56 0.00 0.00 36.38 36.69 1n4r s VAL 164 CO 0.80 -0.46 2.13 1.55 -0.31 0.00 0.00 175.10 178.82 1n4r h PRO 165 N 4.43 0.00 0.00 4.82 0.13 -1.86 -1.33 132.00 138.19 1n4r h PRO 165 Ca -0.35 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.78 1n4r h PRO 165 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1n4r h PRO 165 CO 0.43 0.02 0.00 0.39 -0.23 0.00 0.00 178.00 178.61 1n4r n GLU 166 N -4.47 0.17 0.00 0.86 4.71 -1.26 -4.95 120.64 115.70 1n4r n GLU 166 Ca -0.03 0.50 0.00 0.00 -0.01 0.00 0.00 57.16 57.62 1n4r n GLU 166 Cb 0.11 -1.89 0.00 0.00 -1.01 0.00 0.00 31.44 28.65 1n4r n GLU 166 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1n4r n GLY 167 N -0.53 2.97 3.20 0.62 0.00 -0.50 -5.17 105.19 105.78 1n4r n GLY 167 Ca 0.01 -1.70 0.01 0.00 0.00 0.00 0.00 46.02 44.34 1n4r n GLY 167 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1n4r n SER 168 N 0.00 -1.04 -4.78 1.61 3.41 -1.26 -4.70 113.62 106.85 1n4r n SER 168 Ca 0.00 -1.29 -0.31 0.00 -0.26 0.00 0.00 58.87 57.01 1n4r n SER 168 Cb 0.00 1.63 0.08 0.00 -0.26 0.00 0.00 64.21 65.66 1n4r n SER 168 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 175.04 173.05 1n4r s GLU 169 N -2.02 2.41 -0.04 4.33 1.03 -1.26 -4.86 118.70 118.29 1n4r s GLU 169 Ca 0.23 1.07 0.02 0.00 0.03 0.00 0.00 54.97 56.33 1n4r s GLU 169 Cb -0.01 -1.92 0.01 0.00 -0.80 0.00 0.00 34.13 31.41 1n4r s GLU 169 CO 0.00 -1.51 -0.08 0.54 -1.33 0.00 0.00 175.26 172.89 1n4r s ASN 170 N -3.53 1.20 0.17 0.83 4.22 -1.26 -4.24 114.94 112.32 1n4r s ASN 170 Ca 0.60 -0.19 -0.12 0.00 -2.14 0.00 0.00 52.86 51.02 1n4r s ASN 170 Cb -0.16 -0.47 0.04 0.00 1.28 0.00 0.00 41.25 41.94 1n4r s ASN 170 CO 0.56 0.01 0.59 -0.90 -2.04 0.00 0.00 177.10 175.32 1n4r n ASP 171 N 3.67 -1.23 -0.21 3.54 5.68 -1.22 -4.94 116.55 121.85 1n4r n ASP 171 Ca -0.22 -1.74 0.17 0.00 -0.50 0.00 0.00 54.79 52.51 1n4r n ASP 171 Cb 0.52 2.02 0.51 0.00 -1.14 0.00 0.00 41.12 43.03 1n4r n ASP 171 CO 0.00 0.00 0.00 -0.03 -1.33 0.00 0.00 177.20 175.84 1n4r h MET 172 N 0.00 0.41 -0.62 0.11 1.85 -1.74 -2.17 114.93 112.76 1n4r h MET 172 Ca -0.19 -0.02 0.11 0.00 -0.61 0.00 0.00 59.70 58.99 1n4r h MET 172 Cb 0.76 -0.09 -0.08 0.00 0.43 0.00 0.00 31.60 32.61 1n4r h MET 172 CO 0.24 0.27 0.18 0.00 -0.40 0.00 0.00 176.91 177.20 1n4r h ARG 173 N 0.42 0.31 0.00 0.39 3.08 -1.94 -0.93 114.38 115.71 1n4r h ARG 173 Ca 0.42 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.44 1n4r h ARG 173 Cb 1.01 -0.07 -0.00 0.00 0.08 0.00 0.00 29.97 30.99 1n4r h ARG 173 CO -0.15 0.21 -0.07 0.74 -1.07 0.00 0.00 179.97 179.63 1n4r h PHE 174 N 0.32 0.00 -0.46 3.04 0.05 -1.69 -2.63 116.94 115.57 1n4r h PHE 174 Ca 0.33 0.00 -0.12 0.00 3.82 0.00 0.00 57.97 61.99 1n4r h PHE 174 Cb 0.47 0.00 -0.01 0.00 2.00 0.00 0.00 35.95 38.41 1n4r h PHE 174 CO -0.22 0.07 -0.19 0.28 -0.18 0.00 0.00 178.31 178.08 1n4r h VAL 175 N 0.00 1.27 -0.63 -0.55 2.07 -1.12 -1.02 116.25 116.28 1n4r h VAL 175 Ca -0.00 -1.34 -0.07 0.00 0.82 0.00 0.00 66.70 66.10 1n4r h VAL 175 Cb 0.94 1.15 -0.03 0.00 -1.52 0.00 0.00 31.29 31.83 1n4r h VAL 175 CO 0.01 0.46 0.10 0.22 0.02 0.00 0.00 177.57 178.38 1n4r h TYR 176 N 0.79 1.09 -0.36 1.57 3.20 -1.18 -0.98 116.97 121.10 1n4r h TYR 176 Ca 0.11 -0.14 -0.02 0.00 3.14 0.00 0.00 58.73 61.81 1n4r h TYR 176 Cb 0.76 -0.30 -0.02 0.00 1.54 0.00 0.00 36.73 38.71 1n4r h TYR 176 CO 0.05 0.92 0.14 0.00 -1.64 0.00 0.00 178.16 177.63 1n4r h ALA 178 N 0.98 0.43 -0.45 0.00 0.00 -0.95 -1.20 119.26 118.07 1n4r h ALA 178 Ca 0.12 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 55.05 1n4r h ALA 178 Cb 0.20 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 1n4r h ALA 178 CO -0.01 -0.13 0.22 0.77 0.00 0.00 0.00 179.25 180.10 1n4r h SER 179 N 0.43 0.31 -0.73 0.00 0.02 -0.93 -1.18 113.55 111.47 1n4r h SER 179 Ca 0.13 0.03 -0.05 0.00 -0.84 0.00 0.00 61.79 61.06 1n4r h SER 179 Cb -0.03 -0.03 -0.03 0.00 0.14 0.00 0.00 62.40 62.45 1n4r h SER 179 CO -0.04 0.22 0.28 0.00 -1.14 0.00 0.00 176.83 176.14 1n4r h ILE 181 N 1.09 1.09 -0.99 0.00 2.04 -0.75 -0.44 117.51 119.55 1n4r h ILE 181 Ca 0.25 -0.42 0.04 0.00 1.00 0.00 0.00 64.86 65.72 1n4r h ILE 181 Cb 0.23 1.37 -0.06 0.00 -0.74 0.00 0.00 36.82 37.62 1n4r h ILE 181 CO -0.02 0.11 0.65 0.00 0.00 0.00 0.00 178.15 178.89 1n4r h TYR 183 N 1.26 0.12 -0.62 0.00 3.20 -0.95 -0.04 116.97 119.93 1n4r h TYR 183 Ca 0.39 -0.01 -0.09 0.00 3.14 0.00 0.00 58.73 62.17 1n4r h TYR 183 Cb -0.01 -0.04 -0.02 0.00 1.54 0.00 0.00 36.73 38.20 1n4r h TYR 183 CO -0.00 0.25 0.05 0.52 -1.64 0.00 0.00 178.16 177.34 1n4r h MET 184 N -0.04 1.06 -0.07 1.82 2.86 -0.78 -0.83 114.93 118.95 1n4r h MET 184 Ca 0.03 -0.31 0.00 0.00 -2.06 0.00 0.00 59.70 57.35 1n4r h MET 184 Cb 0.18 -0.11 0.00 0.00 0.06 0.00 0.00 31.60 31.73 1n4r h MET 184 CO -0.00 1.01 0.00 1.28 1.06 0.00 0.00 176.91 180.26 1n4r n LEU 185 N -4.22 0.52 -4.24 1.22 4.77 -0.38 -4.89 117.00 109.77 1n4r n LEU 185 Ca 0.03 -0.23 -0.30 0.00 -0.03 0.00 0.00 56.01 55.48 1n4r n LEU 185 Cb 0.32 -0.04 -0.08 0.00 -2.33 0.00 0.00 43.42 41.28 1n4r n LEU 185 CO 0.43 0.11 -0.42 -3.20 -1.33 0.00 0.00 177.39 172.98 1n4r n ASN 186 N -0.38 0.58 -3.45 -1.43 5.15 -0.32 -4.93 115.26 110.49 1n4r n ASN 186 Ca 0.11 -1.23 -0.01 0.00 -0.60 0.00 0.00 54.58 52.85 1n4r n ASN 186 Cb 0.13 -1.88 -0.04 0.00 -0.53 0.00 0.00 39.78 37.45 1n4r n ASN 186 CO 0.00 0.00 0.00 0.21 1.40 0.00 0.00 177.26 178.87 1n4r s ASN 187 N -4.36 -0.94 -0.14 1.20 3.84 -0.18 -5.02 114.94 109.34 1n4r s ASN 187 Ca 0.01 1.10 0.10 0.00 0.21 0.00 0.00 52.86 54.29 1n4r s ASN 187 Cb -0.01 1.98 0.54 0.00 -0.55 0.00 0.00 41.25 43.22 1n4r s ASN 187 CO 0.98 -0.24 1.35 0.79 -2.79 0.00 0.00 177.10 177.19 1n4r n TRP 188 N 5.42 1.32 0.67 0.43 7.02 -1.26 -4.02 117.44 127.01 1n4r n TRP 188 Ca -0.07 -0.47 0.09 0.00 -1.02 0.00 0.00 57.50 56.03 1n4r n TRP 188 Cb 0.50 -0.33 0.40 0.00 -2.42 0.00 0.00 31.31 29.46 1n4r n TRP 188 CO 0.00 0.00 0.00 -1.13 -2.02 0.00 0.00 177.69 174.54 1n4r n SER 189 N 0.50 0.00 0.04 -0.99 3.41 -1.26 -2.61 113.62 112.71 1n4r n SER 189 Ca 0.19 0.42 0.09 0.00 -0.26 0.00 0.00 58.87 59.30 1n4r n SER 189 Cb 0.83 -0.46 0.38 0.00 -0.26 0.00 0.00 64.21 64.70 1n4r n SER 189 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1n4r n GLY 190 N 0.35 -1.11 3.32 5.00 0.00 -1.26 -4.83 105.19 106.67 1n4r n GLY 190 Ca 0.05 -0.01 -0.10 0.00 0.00 0.00 0.00 46.02 45.96 1n4r n GLY 190 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1n4r s MET 191 N -3.10 1.07 -0.95 1.61 0.23 -1.07 -2.63 119.30 114.46 1n4r s MET 191 Ca 0.06 -0.95 -0.15 0.00 -1.03 0.00 0.00 55.69 53.63 1n4r s MET 191 Cb 0.10 0.41 0.19 0.00 -1.53 0.00 0.00 34.83 34.00 1n4r s MET 191 CO 0.32 -0.40 1.02 0.34 -2.03 0.00 0.00 175.02 174.27 1n4r s ASP 192 N -2.88 6.84 0.37 -1.18 3.68 -1.26 -4.90 116.67 117.34 1n4r s ASP 192 Ca 0.09 -2.66 0.15 0.00 2.13 0.00 0.00 52.55 52.26 1n4r s ASP 192 Cb 0.03 -2.29 1.01 0.00 -1.45 0.00 0.00 42.92 40.22 1n4r s ASP 192 CO -0.07 -0.71 1.77 -0.03 0.13 0.00 0.00 175.17 176.27 1n4r h MET 193 N 7.87 0.47 -0.49 4.34 1.85 -1.98 -1.22 114.93 125.78 1n4r h MET 193 Ca 0.16 -0.03 -0.01 0.00 -0.61 0.00 0.00 59.70 59.22 1n4r h MET 193 Cb 0.99 -0.11 -0.02 0.00 0.43 0.00 0.00 31.60 32.89 1n4r h MET 193 CO 0.96 0.31 0.28 -0.22 -0.40 0.00 0.00 176.91 177.85 1n4r h LYS 194 N 0.48 0.67 -0.25 0.39 3.64 -2.00 -1.00 116.57 118.50 1n4r h LYS 194 Ca 0.59 -0.07 -0.14 0.00 -1.27 0.00 0.00 60.65 59.76 1n4r h LYS 194 Cb 1.34 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 33.02 1n4r h LYS 194 CO -0.33 0.51 -0.43 0.87 -2.27 0.00 0.00 179.45 177.80 1n4r h LYS 195 N 0.65 0.62 -0.41 1.90 1.57 -1.62 -2.11 116.57 117.17 1n4r h LYS 195 Ca 0.17 -0.33 -0.02 0.00 -1.87 0.00 0.00 60.65 58.60 1n4r h LYS 195 Cb 0.02 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.32 1n4r h LYS 195 CO -0.03 0.93 0.17 0.00 -0.57 0.00 0.00 179.45 179.94 1n4r h ALA 196 N 1.03 0.54 -0.92 3.86 0.00 -1.13 -1.30 119.26 121.34 1n4r h ALA 196 Ca 0.04 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 1n4r h ALA 196 Cb 0.95 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.53 1n4r h ALA 196 CO 0.09 0.14 0.56 0.82 0.00 0.00 0.00 179.25 180.86 1n4r h ILE 197 N 0.53 1.25 -0.45 0.00 2.04 -1.11 -1.09 117.51 118.68 1n4r h ILE 197 Ca 0.14 -0.53 0.02 0.00 1.00 0.00 0.00 64.86 65.49 1n4r h ILE 197 Cb 0.19 -0.05 -0.03 0.00 -0.74 0.00 0.00 36.82 36.19 1n4r h ILE 197 CO -0.01 0.26 0.28 -1.28 0.00 0.00 0.00 178.15 177.39 1n4r h SER 198 N 1.26 0.46 -0.49 1.72 0.87 -0.95 -0.68 113.55 115.74 1n4r h SER 198 Ca 0.33 -0.00 0.02 0.00 -1.23 0.00 0.00 61.79 60.91 1n4r h SER 198 Cb -0.07 -0.10 -0.03 0.00 -0.44 0.00 0.00 62.40 61.76 1n4r h SER 198 CO -0.06 0.33 0.30 0.22 -0.53 0.00 0.00 176.83 177.08 1n4r h TYR 199 N 0.56 0.56 -0.73 2.24 3.20 -0.47 -1.00 116.97 121.33 1n4r h TYR 199 Ca 0.18 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.05 1n4r h TYR 199 Cb -0.01 -0.18 -0.03 0.00 1.54 0.00 0.00 36.73 38.04 1n4r h TYR 199 CO -0.06 0.33 0.41 0.82 -1.64 0.00 0.00 178.16 178.02 1n4r h ILE 200 N 0.60 1.22 -0.17 1.81 2.04 -0.70 -2.58 117.51 119.73 1n4r h ILE 200 Ca 0.19 -0.53 -0.01 0.00 1.00 0.00 0.00 64.86 65.51 1n4r h ILE 200 Cb -0.01 0.24 -0.01 0.00 -0.74 0.00 0.00 36.82 36.30 1n4r h ILE 200 CO -0.07 0.24 0.05 0.03 0.00 0.00 0.00 178.15 178.39 1n4r h ARG 201 N 1.00 0.26 0.00 2.37 3.08 -0.72 -2.69 114.38 117.68 1n4r h ARG 201 Ca 0.26 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.25 1n4r h ARG 201 Cb 0.02 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.03 1n4r h ARG 201 CO -0.04 0.38 0.00 0.54 -1.07 0.00 0.00 179.97 179.77 1n4r n ARG 202 N -4.83 0.04 0.00 0.04 1.74 -0.42 -1.63 116.66 111.60 1n4r n ARG 202 Ca -0.05 0.49 0.13 0.00 -0.77 0.00 0.00 57.85 57.65 1n4r n ARG 202 Cb 0.15 -1.61 0.36 0.00 -1.02 0.00 0.00 32.46 30.33 1n4r n ARG 202 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 1n4r n SER 203 N -1.69 1.05 -4.71 0.55 3.41 -1.00 -3.98 113.62 107.26 1n4r n SER 203 Ca 0.00 -0.90 -0.42 0.00 -0.26 0.00 0.00 58.87 57.29 1n4r n SER 203 Cb 0.04 0.16 -0.03 0.00 -0.26 0.00 0.00 64.21 64.12 1n4r n SER 203 CO 0.00 0.00 0.00 -0.32 -0.16 0.00 0.00 175.04 174.56 1n4r s MET 204 N -2.52 4.31 0.68 4.33 0.00 -0.65 -1.27 119.30 124.19 1n4r s MET 204 Ca 0.24 2.09 -0.04 0.00 0.00 0.00 0.00 55.69 57.98 1n4r s MET 204 Cb 0.19 -3.28 0.07 0.00 0.00 0.00 0.00 34.83 31.81 1n4r s MET 204 CO 0.53 -0.47 0.97 0.45 0.00 0.00 0.00 175.02 176.50 1n4r s SER 205 N 1.22 4.76 0.53 1.11 0.15 -0.02 -4.88 113.70 116.56 1n4r s SER 205 Ca 0.65 0.22 0.30 0.00 0.70 0.00 0.00 55.95 57.81 1n4r s SER 205 Cb -0.37 -0.85 1.45 0.00 -1.71 0.00 0.00 66.02 64.54 1n4r s SER 205 CO 0.30 -1.59 2.05 0.10 1.20 0.00 0.00 173.24 175.29 1n4r h TYR 206 N -0.49 0.00 -0.20 3.44 -0.00 -1.95 -0.72 116.97 117.05 1n4r h TYR 206 Ca -0.43 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.30 1n4r h TYR 206 Cb 1.30 0.00 0.00 0.00 0.00 0.00 0.00 36.73 38.03 1n4r h TYR 206 CO 0.18 0.11 0.00 -0.40 -0.00 0.00 0.00 178.16 178.04 1n4r n ASP 207 N -3.45 1.83 0.00 0.10 3.85 -1.26 -4.95 116.55 112.67 1n4r n ASP 207 Ca -0.01 -1.76 0.00 0.00 -0.71 0.00 0.00 54.79 52.31 1n4r n ASP 207 Cb 0.27 -0.13 0.00 0.00 -1.35 0.00 0.00 41.12 39.90 1n4r n ASP 207 CO 0.00 0.00 0.00 0.59 -1.01 0.00 0.00 177.20 176.78 1n4r n ASN 208 N 0.43 0.00 -4.54 -1.12 3.02 -0.28 -4.78 115.26 108.00 1n4r n ASN 208 Ca 0.16 0.00 -0.25 0.00 -0.03 0.00 0.00 54.58 54.46 1n4r n ASN 208 Cb 0.35 -0.02 0.13 0.00 -0.61 0.00 0.00 39.78 39.63 1n4r n ASN 208 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 1n4r s GLY 209 N -2.00 1.76 -0.10 7.41 0.00 -1.26 -4.21 107.32 108.92 1n4r s GLY 209 Ca 0.00 -1.54 -0.03 0.00 0.00 0.00 0.00 44.72 43.15 1n4r s GLY 209 CO 0.00 -0.93 0.00 1.08 0.00 0.00 0.00 173.10 173.26 1n4r s LEU 210 N -5.35 3.58 0.57 0.66 1.02 -1.26 -0.84 118.68 117.05 1n4r s LEU 210 Ca 0.68 0.12 0.07 0.00 0.02 0.00 0.00 54.13 55.02 1n4r s LEU 210 Cb -0.05 -1.83 0.07 0.00 0.02 0.00 0.00 46.19 44.39 1n4r s LEU 210 CO 0.47 0.34 0.59 0.00 0.02 0.00 0.00 176.35 177.77 1n4r s ALA 211 N -0.65 4.59 0.33 4.21 0.00 -0.39 -1.06 121.76 128.78 1n4r s ALA 211 Ca 0.11 -1.66 0.26 0.00 0.00 0.00 0.00 51.96 50.66 1n4r s ALA 211 Cb -0.12 -1.06 1.27 0.00 0.00 0.00 0.00 23.12 23.21 1n4r s ALA 211 CO 0.02 -0.66 1.99 1.96 0.00 0.00 0.00 175.76 179.07 1n4r h GLN 212 N 0.46 0.00 -2.19 0.00 1.08 -1.88 -3.45 115.11 109.13 1n4r h GLN 212 Ca -0.33 0.00 0.19 0.00 -1.45 0.00 0.00 58.65 57.06 1n4r h GLN 212 Cb 1.30 0.00 -0.10 0.00 -0.05 0.00 0.00 27.48 28.63 1n4r h GLN 212 CO 0.49 0.16 0.54 0.20 -0.95 0.00 0.00 178.83 179.27 1n4r s GLY 213 N -4.23 -0.29 0.21 3.46 0.00 -1.26 -2.09 107.32 103.12 1n4r s GLY 213 Ca -0.02 0.34 -0.32 0.00 0.00 0.00 0.00 44.72 44.72 1n4r s GLY 213 CO 0.60 0.07 1.27 0.00 0.00 0.00 0.00 173.10 175.04 1n4r n ALA 214 N -0.44 0.10 0.00 3.20 0.00 -1.26 -2.17 120.51 119.95 1n4r n ALA 214 Ca -0.07 0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.81 1n4r n ALA 214 Cb 0.61 -2.14 0.00 0.00 0.00 0.00 0.00 19.45 17.92 1n4r n ALA 214 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1n4r n GLY 215 N 2.04 2.98 3.80 0.00 0.00 -1.26 -5.02 105.19 107.73 1n4r n GLY 215 Ca 0.13 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.86 1n4r n GLY 215 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1n4r s LEU 216 N 0.00 2.48 0.09 0.99 2.01 -0.92 -4.99 118.68 118.34 1n4r s LEU 216 Ca 0.00 1.22 -0.31 0.00 0.01 0.00 0.00 54.13 55.05 1n4r s LEU 216 Cb 0.00 -3.77 -0.08 0.00 0.01 0.00 0.00 46.19 42.35 1n4r s LEU 216 CO 0.00 -2.08 1.48 -0.70 1.01 0.00 0.00 176.35 176.05 1n4r s GLU 217 N -5.19 4.27 0.52 1.70 2.12 -1.26 -4.69 118.70 116.17 1n4r s GLU 217 Ca 0.61 2.16 -0.22 0.00 0.36 0.00 0.00 54.97 57.88 1n4r s GLU 217 Cb -0.14 -3.36 -0.06 0.00 0.26 0.00 0.00 34.13 30.83 1n4r s GLU 217 CO 0.54 -0.55 1.34 -1.54 -0.54 0.00 0.00 175.26 174.50 1n4r s SER 218 N 1.50 5.50 0.01 -1.70 1.04 -1.26 -4.40 113.70 114.39 1n4r s SER 218 Ca 0.67 2.71 -0.07 0.00 0.48 0.00 0.00 55.95 59.74 1n4r s SER 218 Cb -0.38 -2.63 0.00 0.00 0.10 0.00 0.00 66.02 63.11 1n4r s SER 218 CO 0.30 -1.41 0.14 -2.28 0.98 0.00 0.00 173.24 170.97 1n4r s HIS 219 N -1.32 0.05 0.29 5.02 2.46 -0.23 -4.85 115.29 116.71 1n4r s HIS 219 Ca 0.69 -0.15 -0.00 0.00 0.47 0.00 0.00 55.06 56.06 1n4r s HIS 219 Cb -0.39 -0.05 0.49 0.00 -0.13 0.00 0.00 32.58 32.50 1n4r s HIS 219 CO 0.47 -0.30 1.91 0.78 -2.47 0.00 0.00 174.74 175.13 1n4r h GLY 220 N 4.21 1.35 0.76 1.59 0.00 -0.86 -0.65 103.07 109.47 1n4r h GLY 220 Ca -0.31 -0.43 -0.03 0.00 0.00 0.00 0.00 47.33 46.56 1n4r h GLY 220 CO 0.41 0.33 -0.02 -1.33 0.00 0.00 0.00 176.54 175.93 1n4r h GLY 221 N 1.08 0.27 2.00 4.60 0.00 -1.91 -2.04 103.07 107.06 1n4r h GLY 221 Ca 0.39 -0.21 -0.11 0.00 0.00 0.00 0.00 47.33 47.40 1n4r h GLY 221 CO -0.14 0.20 -0.53 1.48 0.00 0.00 0.00 176.54 177.54 1n4r h SER 222 N -0.05 0.00 -0.51 0.19 4.64 -1.77 -1.50 113.55 114.56 1n4r h SER 222 Ca 0.04 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.26 1n4r h SER 222 Cb 0.42 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.49 1n4r h SER 222 CO 0.01 0.53 -0.06 0.74 -0.87 0.00 0.00 176.83 177.18 1n4r h THR 223 N 0.00 1.27 0.01 2.95 2.02 -1.08 0.24 112.91 118.32 1n4r h THR 223 Ca -0.01 -1.18 -0.00 0.00 0.77 0.00 0.00 66.41 65.99 1n4r h THR 223 Cb 0.96 1.00 0.00 0.00 -1.74 0.00 0.00 68.15 68.37 1n4r h THR 223 CO 0.07 0.41 -0.00 0.15 0.37 0.00 0.00 175.52 176.52 1n4r h PHE 224 N 0.80 -0.01 -0.71 3.16 3.57 -1.07 -0.36 116.94 122.31 1n4r h PHE 224 Ca 0.14 -0.00 0.07 0.00 3.53 0.00 0.00 57.97 61.71 1n4r h PHE 224 Cb 0.60 0.00 -0.06 0.00 2.79 0.00 0.00 35.95 39.29 1n4r h PHE 224 CO 0.04 0.09 0.39 0.00 -2.23 0.00 0.00 178.31 176.61 1n4r h GLY 226 N 0.70 -0.51 1.00 0.00 0.00 -0.77 -1.54 103.07 101.95 1n4r h GLY 226 Ca 0.33 0.19 0.00 0.00 0.00 0.00 0.00 47.33 47.85 1n4r h GLY 226 CO -0.21 -0.19 0.18 -2.22 0.00 0.00 0.00 176.54 174.10 1n4r h ILE 227 N -0.81 1.07 -0.85 2.60 1.08 -0.92 -2.07 117.51 117.61 1n4r h ILE 227 Ca -0.05 -0.13 -0.00 0.00 -0.39 0.00 0.00 64.86 64.29 1n4r h ILE 227 Cb 0.53 0.68 -0.04 0.00 -3.07 0.00 0.00 36.82 34.92 1n4r h ILE 227 CO 0.08 0.07 0.53 0.00 -0.69 0.00 0.00 178.15 178.14 1n4r h ALA 228 N 1.09 1.33 -0.03 1.87 0.00 -0.74 -1.02 119.26 121.76 1n4r h ALA 228 Ca 0.10 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1n4r h ALA 228 Cb -0.04 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 17.40 1n4r h ALA 228 CO -0.02 0.59 0.02 0.77 0.00 0.00 0.00 179.25 180.61 1n4r h SER 229 N 1.17 0.02 -0.87 0.00 0.02 -0.86 0.64 113.55 113.67 1n4r h SER 229 Ca 0.31 0.00 0.02 0.00 -0.84 0.00 0.00 61.79 61.28 1n4r h SER 229 Cb -0.08 -0.00 -0.05 0.00 0.14 0.00 0.00 62.40 62.41 1n4r h SER 229 CO -0.06 0.02 0.57 -0.07 -1.14 0.00 0.00 176.83 176.15 1n4r h LEU 230 N 0.04 0.98 -0.35 5.07 3.38 -0.94 -1.15 115.31 122.34 1n4r h LEU 230 Ca 0.01 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 1n4r h LEU 230 Cb 0.00 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.50 1n4r h LEU 230 CO -0.01 0.70 0.17 0.00 0.09 0.00 0.00 178.44 179.39 1n4r h LEU 232 N 0.43 0.40 0.00 0.00 4.07 -0.26 0.23 115.31 120.17 1n4r h LEU 232 Ca 0.12 -0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.08 1n4r h LEU 232 Cb 0.12 -0.09 0.00 0.00 1.08 0.00 0.00 40.66 41.77 1n4r h LEU 232 CO -0.02 0.27 -0.18 0.23 -1.08 0.00 0.00 178.44 177.66 1n4r n MET 233 N -4.48 0.16 -2.93 1.13 2.81 -0.49 -4.94 117.12 108.38 1n4r n MET 233 Ca 0.06 0.10 -0.11 0.00 -1.81 0.00 0.00 57.70 55.94 1n4r n MET 233 Cb 0.20 -1.66 0.05 0.00 -0.71 0.00 0.00 33.22 31.10 1n4r n MET 233 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1n4r n GLY 234 N 1.39 0.05 0.56 3.03 0.00 0.80 -4.96 105.19 106.06 1n4r n GLY 234 Ca 0.06 -0.16 0.01 0.00 0.00 0.00 0.00 46.02 45.93 1n4r n GLY 234 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1n4r n LYS 235 N -2.87 0.11 0.23 1.61 5.02 -0.16 -4.91 118.16 117.19 1n4r n LYS 235 Ca -0.09 -1.24 -0.18 0.00 -2.02 0.00 0.00 58.31 54.79 1n4r n LYS 235 Cb 0.57 -0.54 -0.10 0.00 -0.02 0.00 0.00 35.03 34.94 1n4r n LYS 235 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 1n4r h LEU 236 N 0.10 -1.47 -0.96 -0.35 6.46 -1.90 -0.15 115.31 117.05 1n4r h LEU 236 Ca -0.02 0.13 0.11 0.00 -0.12 0.00 0.00 57.88 57.98 1n4r h LEU 236 Cb 1.41 0.51 -0.08 0.00 -0.73 0.00 0.00 40.66 41.77 1n4r h LEU 236 CO 0.01 -0.63 0.59 -0.33 -0.62 0.00 0.00 178.44 177.46 1n4r h GLU 237 N -0.92 0.94 -0.26 1.25 4.39 -1.91 -1.22 114.58 116.85 1n4r h GLU 237 Ca -0.04 -0.06 -0.13 0.00 0.34 0.00 0.00 59.36 59.47 1n4r h GLU 237 Cb 0.84 -0.21 -0.01 0.00 -0.10 0.00 0.00 28.75 29.27 1n4r h GLU 237 CO -0.15 0.62 -0.38 1.49 -1.16 0.00 0.00 179.01 179.43 1n4r h GLU 238 N 0.97 0.60 0.21 2.33 4.81 -1.84 -3.33 114.58 118.34 1n4r h GLU 238 Ca 0.46 -0.30 -0.31 0.00 -0.13 0.00 0.00 59.36 59.08 1n4r h GLU 238 Cb 0.41 0.00 0.03 0.00 0.63 0.00 0.00 28.75 29.81 1n4r h GLU 238 CO -0.25 0.88 -1.44 0.28 -0.73 0.00 0.00 179.01 177.76 1n4r h VAL 239 N 0.50 1.22 -3.60 0.32 2.07 -0.49 -3.46 116.25 112.81 1n4r h VAL 239 Ca 0.05 -2.61 -0.67 0.00 0.82 0.00 0.00 66.70 64.29 1n4r h VAL 239 Cb 0.89 2.98 -0.23 0.00 -1.52 0.00 0.00 31.29 33.41 1n4r h VAL 239 CO 0.08 0.80 -0.73 -0.36 0.02 0.00 0.00 177.57 177.37 1n4r s PHE 240 N -2.56 2.85 0.97 1.57 2.99 -0.51 -5.08 117.98 118.21 1n4r s PHE 240 Ca -0.12 -0.28 -0.12 0.00 0.00 0.00 0.00 56.93 56.40 1n4r s PHE 240 Cb 0.04 -1.77 0.17 0.00 0.00 0.00 0.00 43.02 41.46 1n4r s PHE 240 CO 0.89 0.07 1.10 -1.54 -0.00 0.00 0.00 175.22 175.74 1n4r s SER 241 N -0.24 2.86 0.21 1.36 1.04 -1.26 -4.60 113.70 113.06 1n4r s SER 241 Ca 0.02 1.18 -0.08 0.00 0.48 0.00 0.00 55.95 57.54 1n4r s SER 241 Cb -0.13 -1.83 0.16 0.00 0.10 0.00 0.00 66.02 64.32 1n4r s SER 241 CO 0.03 -2.98 1.80 -0.08 0.98 0.00 0.00 173.24 172.98 1n4r h GLU 242 N -1.79 1.15 -0.53 4.02 4.81 -1.99 0.18 114.58 120.42 1n4r h GLU 242 Ca -0.53 -0.17 -0.03 0.00 -0.13 0.00 0.00 59.36 58.50 1n4r h GLU 242 Cb 1.33 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 30.48 1n4r h GLU 242 CO 0.58 0.89 0.23 0.87 -0.73 0.00 0.00 179.01 180.85 1n4r h LYS 243 N 1.12 0.79 -0.10 1.92 1.57 -1.99 -0.79 116.57 119.10 1n4r h LYS 243 Ca 0.27 -0.14 -0.00 0.00 -1.87 0.00 0.00 60.65 58.91 1n4r h LYS 243 Cb 0.13 -0.13 -0.00 0.00 0.08 0.00 0.00 32.23 32.30 1n4r h LYS 243 CO -0.03 0.68 0.06 0.93 -0.57 0.00 0.00 179.45 180.51 1n4r h GLU 244 N 0.72 0.13 -0.30 3.15 5.08 -1.79 -1.83 114.58 119.75 1n4r h GLU 244 Ca 0.18 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.52 1n4r h GLU 244 Cb 0.17 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.38 1n4r h GLU 244 CO -0.02 0.14 0.15 -0.07 -1.00 0.00 0.00 179.01 178.22 1n4r h LEU 245 N 0.08 0.36 -0.52 1.33 3.38 -0.79 -0.93 115.31 118.21 1n4r h LEU 245 Ca 0.03 -0.02 -0.07 0.00 0.09 0.00 0.00 57.88 57.91 1n4r h LEU 245 Cb 0.05 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 1n4r h LEU 245 CO -0.01 0.31 0.06 0.78 0.09 0.00 0.00 178.44 179.67 1n4r h ASN 246 N 0.42 0.86 -0.52 -0.43 -0.26 -0.66 -0.20 115.58 114.78 1n4r h ASN 246 Ca 0.11 -0.28 -0.06 0.00 -0.56 0.00 0.00 56.30 55.51 1n4r h ASN 246 Cb 0.03 -0.23 -0.02 0.00 -1.06 0.00 0.00 38.32 37.05 1n4r h ASN 246 CO -0.02 0.92 0.10 0.03 -1.06 0.00 0.00 177.43 177.40 1n4r h ARG 247 N 0.77 0.85 -0.47 0.81 3.08 -0.50 -1.69 114.38 117.22 1n4r h ARG 247 Ca 0.16 -0.22 -0.03 0.00 0.07 0.00 0.00 59.98 59.95 1n4r h ARG 247 Cb 0.44 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.37 1n4r h ARG 247 CO 0.02 0.83 0.17 0.82 -1.07 0.00 0.00 179.97 180.73 1n4r h ILE 248 N 0.73 1.22 -0.68 2.04 2.04 -1.03 -1.26 117.51 120.57 1n4r h ILE 248 Ca 0.16 -0.70 0.05 0.00 1.00 0.00 0.00 64.86 65.37 1n4r h ILE 248 Cb 0.38 0.78 -0.05 0.00 -0.74 0.00 0.00 36.82 37.19 1n4r h ILE 248 CO 0.01 0.26 0.40 0.11 0.00 0.00 0.00 178.15 178.92 1n4r h LYS 249 N 0.63 0.72 -0.43 2.37 1.57 -0.82 -0.30 116.57 120.32 1n4r h LYS 249 Ca 0.16 -0.04 0.01 0.00 -1.87 0.00 0.00 60.65 58.90 1n4r h LYS 249 Cb 0.23 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.36 1n4r h LYS 249 CO -0.01 0.48 0.28 -0.09 -0.57 0.00 0.00 179.45 179.54 1n4r h ARG 250 N 0.75 0.55 -0.48 3.15 9.65 -0.95 0.29 114.38 127.34 1n4r h ARG 250 Ca 0.30 -0.03 -0.01 0.00 -1.10 0.00 0.00 59.98 59.13 1n4r h ARG 250 Cb 0.13 -0.13 -0.02 0.00 -1.39 0.00 0.00 29.97 28.57 1n4r h ARG 250 CO -0.16 0.37 0.27 2.35 2.80 0.00 0.00 179.97 185.60 1n4r h TRP 251 N 0.57 0.65 0.29 2.20 7.01 -0.49 -2.38 115.95 123.80 1n4r h TRP 251 Ca 0.16 -0.01 -0.01 0.00 2.11 0.00 0.00 58.89 61.13 1n4r h TRP 251 Cb -0.06 -0.21 0.00 0.00 -2.10 0.00 0.00 29.16 26.79 1n4r h TRP 251 CO -0.05 0.48 -0.14 0.00 -2.79 0.00 0.00 178.44 175.94 1n4r h ILE 253 N -0.57 0.00 0.00 0.00 2.10 -0.93 -0.21 117.51 117.91 1n4r h ILE 253 Ca -0.04 -0.15 0.00 0.00 1.08 0.00 0.00 64.86 65.75 1n4r h ILE 253 Cb 0.41 0.91 0.00 0.00 -1.09 0.00 0.00 36.82 37.05 1n4r h ILE 253 CO 0.07 0.00 0.00 0.23 -1.08 0.00 0.00 178.15 177.37 1n4r n MET 254 N -2.60 0.13 0.14 2.19 2.81 -0.90 -3.23 117.12 115.66 1n4r n MET 254 Ca -0.01 0.06 0.13 0.00 -1.81 0.00 0.00 57.70 56.08 1n4r n MET 254 Cb 0.14 -1.50 0.43 0.00 -0.71 0.00 0.00 33.22 31.58 1n4r n MET 254 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1n4r h ARG 255 N 0.00 0.00 -6.28 0.03 2.47 -1.10 -3.44 114.38 106.06 1n4r h ARG 255 Ca 0.00 0.00 -0.55 0.00 -1.26 0.00 0.00 59.98 58.17 1n4r h ARG 255 Cb 0.36 0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 28.65 1n4r h ARG 255 CO 0.00 0.00 0.43 -1.14 0.56 0.00 0.00 179.97 179.82 1n4r s GLN 256 N -3.23 4.47 -0.09 0.04 0.74 -1.20 -2.49 119.66 117.90 1n4r s GLN 256 Ca 0.07 1.33 0.02 0.00 0.05 0.00 0.00 55.36 56.84 1n4r s GLN 256 Cb 0.10 -3.50 -0.07 0.00 1.10 0.00 0.00 33.01 30.64 1n4r s GLN 256 CO 0.54 -0.17 -0.05 1.04 -0.55 0.00 0.00 175.29 176.10 1n4r n GLN 257 N 4.46 0.97 0.07 1.67 1.13 -1.26 -4.96 117.38 119.45 1n4r n GLN 257 Ca 0.06 0.04 0.00 0.00 -1.94 0.00 0.00 57.00 55.16 1n4r n GLN 257 Cb 0.50 -1.18 0.00 0.00 0.11 0.00 0.00 30.24 29.66 1n4r n GLN 257 CO 0.00 0.00 0.00 0.27 -1.44 0.00 0.00 177.06 175.89 1n4r n ASN 258 N -2.63 -1.25 -0.61 1.08 0.23 -1.26 -5.07 115.26 105.75 1n4r n ASN 258 Ca -0.15 0.43 0.00 0.00 -0.53 0.00 0.00 54.58 54.33 1n4r n ASN 258 Cb 0.69 1.41 0.00 0.00 -2.08 0.00 0.00 39.78 39.80 1n4r n ASN 258 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1n4r n GLY 259 N -1.34 1.55 3.19 4.83 0.00 -1.26 -2.24 105.19 109.92 1n4r n GLY 259 Ca 0.00 -1.88 -0.23 0.00 0.00 0.00 0.00 46.02 43.91 1n4r n GLY 259 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1n4r s TYR 260 N 2.02 1.50 0.35 1.61 1.51 -1.26 -4.44 117.35 118.64 1n4r s TYR 260 Ca 0.00 -0.35 0.08 0.00 -1.01 0.00 0.00 57.07 55.79 1n4r s TYR 260 Cb 0.00 -0.91 -0.03 0.00 -0.11 0.00 0.00 41.96 40.91 1n4r s TYR 260 CO 0.00 0.05 0.24 -3.38 -1.11 0.00 0.00 175.55 171.35 1n4r s HIS 261 N -0.75 2.81 -0.85 2.71 -3.43 -1.04 -0.74 115.29 114.00 1n4r s HIS 261 Ca 0.05 -0.35 0.24 0.00 -0.80 0.00 0.00 55.06 54.19 1n4r s HIS 261 Cb -0.08 -1.77 0.23 0.00 -1.43 0.00 0.00 32.58 29.53 1n4r s HIS 261 CO 0.01 0.22 1.20 0.41 -2.00 0.00 0.00 174.74 174.58 1n4r n GLY 262 N -1.30 -1.21 3.35 -1.38 0.00 -1.26 -4.85 105.19 98.54 1n4r n GLY 262 Ca -0.02 -0.40 -0.15 0.00 0.00 0.00 0.00 46.02 45.45 1n4r n GLY 262 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1n4r s ARG 263 N -3.07 0.83 0.43 1.61 0.52 -1.26 -0.18 118.95 117.83 1n4r s ARG 263 Ca 0.08 -0.04 -0.24 0.00 -0.52 0.00 0.00 55.73 55.01 1n4r s ARG 263 Cb 0.16 0.38 -0.10 0.00 0.52 0.00 0.00 34.95 35.91 1n4r s ARG 263 CO 0.76 -0.25 1.04 -2.30 0.02 0.00 0.00 175.30 174.57 1n4r n PRO 264 N 1.08 1.39 -2.47 3.54 -0.02 -1.26 -2.45 135.00 134.81 1n4r n PRO 264 Ca -0.20 0.50 -0.20 0.00 -2.02 0.00 0.00 63.50 61.57 1n4r n PRO 264 Cb 0.57 -2.09 -0.00 0.00 -0.02 0.00 0.00 33.50 31.95 1n4r n PRO 264 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1n4r n ASN 265 N 0.38 -5.76 -4.25 2.55 5.03 -1.26 -5.01 115.26 106.94 1n4r n ASN 265 Ca 0.09 -0.06 -0.24 0.00 0.87 0.00 0.00 54.58 55.24 1n4r n ASN 265 Cb 0.40 -4.76 -0.14 0.00 -1.02 0.00 0.00 39.78 34.27 1n4r n ASN 265 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 1n4r s LYS 266 N -5.10 1.25 0.60 3.52 -0.14 -1.02 -5.13 119.74 113.72 1n4r s LYS 266 Ca 0.04 -0.98 -0.19 0.00 -1.36 0.00 0.00 55.97 53.48 1n4r s LYS 266 Cb -0.02 -1.40 -0.03 0.00 -1.68 0.00 0.00 37.83 34.71 1n4r s LYS 266 CO 0.05 0.35 1.26 -1.25 -0.76 0.00 0.00 175.35 175.00 1n4r s PRO 267 N -1.39 2.86 0.82 -1.68 0.04 -1.26 -4.75 135.00 129.65 1n4r s PRO 267 Ca 0.06 1.96 -0.10 0.00 0.04 0.00 0.00 61.00 62.96 1n4r s PRO 267 Cb -0.09 -1.95 0.09 0.00 0.04 0.00 0.00 34.50 32.59 1n4r s PRO 267 CO 0.02 -1.33 1.11 0.14 0.04 0.00 0.00 177.00 176.98 1n4r s VAL 268 N -1.48 2.89 -0.14 -0.36 -7.23 -1.26 -4.62 120.40 108.20 1n4r s VAL 268 Ca 0.78 0.29 -0.06 0.00 -1.81 0.00 0.00 61.98 61.18 1n4r s VAL 268 Cb -0.34 -2.61 0.06 0.00 0.56 0.00 0.00 36.38 34.04 1n4r s VAL 268 CO 0.37 -0.38 0.31 -0.62 -0.31 0.00 0.00 175.10 174.48 1n4r s ASP 269 N -3.15 -0.20 0.29 4.85 -1.08 0.08 -4.85 116.67 112.61 1n4r s ASP 269 Ca 0.63 0.68 -0.05 0.00 -0.52 0.00 0.00 52.55 53.30 1n4r s ASP 269 Cb -0.19 0.65 0.57 0.00 -1.46 0.00 0.00 42.92 42.49 1n4r s ASP 269 CO 0.57 -0.19 1.56 0.74 0.52 0.00 0.00 175.17 178.37 1n4r h THR 270 N 5.90 0.00 -0.01 1.71 2.02 -1.69 0.26 112.91 121.10 1n4r h THR 270 Ca -0.32 -0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.86 1n4r h THR 270 Cb 1.15 0.00 -0.00 0.00 -1.74 0.00 0.00 68.15 67.56 1n4r h THR 270 CO 0.28 0.00 0.04 0.00 0.37 0.00 0.00 175.52 176.21 1n4r h TYR 272 N 0.00 0.00 0.00 0.00 0.05 -1.17 -1.94 116.97 113.91 1n4r h TYR 272 Ca 0.00 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.78 1n4r h TYR 272 Cb 0.08 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 37.81 1n4r h TYR 272 CO 0.00 0.00 -0.04 0.77 -1.05 0.00 0.00 178.16 177.84 1n4r h SER 273 N 0.00 0.00 0.00 3.88 0.02 -1.18 0.13 113.55 116.40 1n4r h SER 273 Ca 0.00 0.00 -0.20 0.00 -0.84 0.00 0.00 61.79 60.75 1n4r h SER 273 Cb 0.53 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.04 1n4r h SER 273 CO 0.00 0.04 -1.47 0.33 -1.14 0.00 0.00 176.83 174.58 1n4r n PHE 274 N -3.77 0.40 -0.16 3.45 7.35 -0.78 -2.85 117.46 121.10 1n4r n PHE 274 Ca -0.03 0.17 -0.09 0.00 -0.76 0.00 0.00 57.45 56.75 1n4r n PHE 274 Cb 0.13 -0.85 -0.03 0.00 0.35 0.00 0.00 39.48 39.07 1n4r n PHE 274 CO 0.00 0.00 0.00 -1.49 -0.76 0.00 0.00 176.76 174.51 1n4r h TRP 275 N -1.00 -1.19 0.18 -5.13 -0.00 -1.30 0.73 115.95 108.23 1n4r h TRP 275 Ca -0.31 0.07 -0.24 0.00 -0.00 0.00 0.00 58.89 58.42 1n4r h TRP 275 Cb 1.18 0.59 0.03 0.00 -0.00 0.00 0.00 29.16 30.96 1n4r h TRP 275 CO -0.16 -0.42 -1.04 0.28 -0.00 0.00 0.00 178.44 177.10 1n4r h VAL 276 N -0.27 1.43 -0.47 1.49 2.07 -0.98 -3.15 116.25 116.37 1n4r h VAL 276 Ca 0.17 -2.58 0.05 0.00 0.82 0.00 0.00 66.70 65.16 1n4r h VAL 276 Cb 0.57 3.14 -0.05 0.00 -1.52 0.00 0.00 31.29 33.43 1n4r h VAL 276 CO -0.62 0.75 0.20 1.23 0.02 0.00 0.00 177.57 179.14 1n4r h GLY 277 N -0.19 0.64 1.46 2.17 0.00 -1.34 0.08 103.07 105.88 1n4r h GLY 277 Ca -0.18 -0.12 -0.03 0.00 0.00 0.00 0.00 47.33 47.00 1n4r h GLY 277 CO 0.19 0.05 0.20 0.00 0.00 0.00 0.00 176.54 176.98 1n4r h ALA 278 N 1.29 1.43 -0.21 3.60 0.00 0.35 0.48 119.26 126.20 1n4r h ALA 278 Ca 0.22 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 1n4r h ALA 278 Cb 0.19 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1n4r h ALA 278 CO -0.20 0.44 -0.02 1.15 0.00 0.00 0.00 179.25 180.63 1n4r h THR 279 N 0.70 1.27 -0.93 0.00 2.02 -1.23 -0.08 112.91 114.64 1n4r h THR 279 Ca 0.17 -0.93 0.04 0.00 0.77 0.00 0.00 66.41 66.45 1n4r h THR 279 Cb 0.14 1.45 -0.05 0.00 -1.74 0.00 0.00 68.15 67.95 1n4r h THR 279 CO -0.02 0.29 0.61 -0.07 0.37 0.00 0.00 175.52 176.70 1n4r h LEU 280 N 0.14 1.01 -0.32 2.58 3.38 -0.43 -0.02 115.31 121.65 1n4r h LEU 280 Ca 0.06 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 1n4r h LEU 280 Cb 0.43 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 1n4r h LEU 280 CO 0.01 0.69 0.13 0.50 0.09 0.00 0.00 178.44 179.87 1n4r h LYS 281 N 1.17 0.49 0.00 1.13 1.63 -0.54 -0.66 116.57 119.78 1n4r h LYS 281 Ca 0.37 -0.09 -0.03 0.00 -0.85 0.00 0.00 60.65 60.05 1n4r h LYS 281 Cb 0.01 -0.08 -0.00 0.00 -0.60 0.00 0.00 32.23 31.56 1n4r h LYS 281 CO -0.11 0.49 -0.13 -0.07 -3.45 0.00 0.00 179.45 176.18 1n4r h LEU 282 N 0.37 0.00 -1.03 5.20 3.38 -0.17 -0.61 115.31 122.45 1n4r h LEU 282 Ca 0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1n4r h LEU 282 Cb 0.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.94 1n4r h LEU 282 CO -0.01 0.13 0.00 0.18 0.09 0.00 0.00 178.44 178.84 1n4r n LEU 283 N -4.28 1.55 -2.11 1.67 4.77 -0.10 -4.94 117.00 113.55 1n4r n LEU 283 Ca -0.03 -0.66 -0.19 0.00 -0.03 0.00 0.00 56.01 55.11 1n4r n LEU 283 Cb 0.21 -0.11 -0.01 0.00 -2.33 0.00 0.00 43.42 41.18 1n4r n LEU 283 CO 0.35 0.33 -0.24 0.29 -1.33 0.00 0.00 177.39 176.79 1n4r n LYS 284 N 0.25 -1.49 -0.12 3.23 5.02 -0.24 -4.88 118.16 119.94 1n4r n LYS 284 Ca 0.15 0.91 0.02 0.00 -2.02 0.00 0.00 58.31 57.37 1n4r n LYS 284 Cb 0.30 -5.45 0.02 0.00 -0.02 0.00 0.00 35.03 29.89 1n4r n LYS 284 CO 0.00 0.00 0.00 0.44 -0.52 0.00 0.00 177.40 177.32 1n4r n ILE 285 N -3.97 0.57 0.10 -0.18 -5.35 -0.48 -4.73 119.36 105.32 1n4r n ILE 285 Ca -0.22 -0.63 0.03 0.00 -0.27 0.00 0.00 62.75 61.66 1n4r n ILE 285 Cb 0.67 0.55 0.43 0.00 -1.74 0.00 0.00 39.64 39.55 1n4r n ILE 285 CO 0.00 0.00 0.00 0.15 -1.76 0.00 0.00 176.55 174.94 1n4r h PHE 286 N 0.00 0.30 -0.34 4.28 3.57 -1.82 -1.62 116.94 121.31 1n4r h PHE 286 Ca 0.00 -0.02 0.10 0.00 3.53 0.00 0.00 57.97 61.58 1n4r h PHE 286 Cb 0.96 -0.09 -0.01 0.00 2.79 0.00 0.00 35.95 39.59 1n4r h PHE 286 CO 0.02 0.31 0.33 -0.56 -2.23 0.00 0.00 178.31 176.18 1n4r h GLN 287 N 0.30 0.00 -0.07 1.11 3.07 -1.89 -0.67 115.11 116.96 1n4r h GLN 287 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.81 1n4r h GLN 287 Cb 0.20 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.76 1n4r h GLN 287 CO 0.00 0.00 0.00 0.66 0.09 0.00 0.00 178.83 179.58 1n4r n TYR 288 N -3.89 0.07 -2.12 0.06 0.53 -0.61 -4.91 117.16 106.29 1n4r n TYR 288 Ca 0.05 -0.04 -0.27 0.00 -1.02 0.00 0.00 57.90 56.63 1n4r n TYR 288 Cb 0.50 0.00 0.09 0.00 -1.03 0.00 0.00 39.34 38.89 1n4r n TYR 288 CO 0.00 0.00 0.00 0.95 -1.02 0.00 0.00 176.86 176.79 1n4r s THR 289 N -1.93 2.17 -0.43 -0.72 -4.23 -0.26 -5.02 115.64 105.22 1n4r s THR 289 Ca 0.36 -0.19 -0.22 0.00 -1.18 0.00 0.00 61.69 60.46 1n4r s THR 289 Cb 0.20 -2.98 0.02 0.00 1.34 0.00 0.00 72.50 71.08 1n4r s THR 289 CO 0.31 0.00 0.71 0.21 -0.54 0.00 0.00 174.62 175.31 1n4r s ASN 290 N -4.58 6.38 0.02 3.99 3.84 -1.26 -4.94 114.94 118.39 1n4r s ASN 290 Ca 0.62 -0.16 -0.22 0.00 0.21 0.00 0.00 52.86 53.31 1n4r s ASN 290 Cb -0.10 -2.35 -0.16 0.00 -0.55 0.00 0.00 41.25 38.08 1n4r s ASN 290 CO 0.47 -0.82 1.31 -0.26 -2.79 0.00 0.00 177.10 175.00 1n4r h PHE 291 N 8.87 0.32 -0.13 0.43 0.05 -1.94 -3.24 116.94 121.30 1n4r h PHE 291 Ca -0.25 -0.10 0.04 0.00 3.82 0.00 0.00 57.97 61.48 1n4r h PHE 291 Cb 1.09 -0.07 -0.04 0.00 2.00 0.00 0.00 35.95 38.93 1n4r h PHE 291 CO 0.76 0.70 -0.13 1.49 -0.18 0.00 0.00 178.31 180.96 1n4r h GLU 292 N -0.15 -0.15 -0.47 1.51 4.22 -1.97 0.89 114.58 118.47 1n4r h GLU 292 Ca 0.01 0.01 -0.04 0.00 0.08 0.00 0.00 59.36 59.43 1n4r h GLU 292 Cb 0.65 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.91 1n4r h GLU 292 CO 0.03 -0.10 0.14 0.87 -2.18 0.00 0.00 179.01 177.77 1n4r h LYS 293 N -0.15 0.69 0.30 1.92 1.57 -1.85 0.18 116.57 119.24 1n4r h LYS 293 Ca 0.09 -0.12 -0.01 0.00 -1.87 0.00 0.00 60.65 58.74 1n4r h LYS 293 Cb 0.28 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.48 1n4r h LYS 293 CO -0.22 0.62 -0.15 -0.97 -0.57 0.00 0.00 179.45 178.16 1n4r h ASN 294 N 0.68 -0.34 -0.59 0.86 -1.24 -1.06 -1.64 115.58 112.25 1n4r h ASN 294 Ca 0.16 -0.18 0.07 0.00 0.71 0.00 0.00 56.30 57.06 1n4r h ASN 294 Cb 0.22 0.09 -0.06 0.00 0.73 0.00 0.00 38.32 39.30 1n4r h ASN 294 CO -0.01 0.04 0.27 -0.09 -1.29 0.00 0.00 177.43 176.35 1n4r h ARG 295 N -0.78 0.47 -0.53 6.67 2.43 -0.64 -1.01 114.38 120.99 1n4r h ARG 295 Ca -0.04 -0.03 0.04 0.00 -0.81 0.00 0.00 59.98 59.14 1n4r h ARG 295 Cb 0.51 -0.11 -0.04 0.00 -0.42 0.00 0.00 29.97 29.91 1n4r h ARG 295 CO 0.07 0.31 0.28 -0.97 -1.51 0.00 0.00 179.97 178.15 1n4r h ASN 296 N 0.49 0.42 0.22 -3.80 -0.00 -0.61 -1.62 115.58 110.67 1n4r h ASN 296 Ca 0.28 0.02 -0.01 0.00 -0.00 0.00 0.00 56.30 56.59 1n4r h ASN 296 Cb 0.28 -0.06 0.00 0.00 -0.00 0.00 0.00 38.32 38.54 1n4r h ASN 296 CO -0.24 0.29 -0.10 0.22 -0.00 0.00 0.00 177.43 177.60 1n4r h TYR 297 N 0.55 -0.27 -0.43 0.67 3.20 -0.41 -1.43 116.97 118.85 1n4r h TYR 297 Ca 0.23 -0.01 0.09 0.00 3.14 0.00 0.00 58.73 62.18 1n4r h TYR 297 Cb 0.11 0.09 -0.09 0.00 1.54 0.00 0.00 36.73 38.38 1n4r h TYR 297 CO -0.09 -0.08 -0.15 0.82 -1.64 0.00 0.00 178.16 177.02 1n4r h ILE 298 N -0.41 0.49 -0.01 1.81 2.04 -1.04 0.02 117.51 120.42 1n4r h ILE 298 Ca -0.03 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.79 1n4r h ILE 298 Cb 0.31 0.49 -0.01 0.00 -0.74 0.00 0.00 36.82 36.87 1n4r h ILE 298 CO 0.05 0.00 -0.20 -0.07 0.00 0.00 0.00 178.15 177.93 1n4r h LEU 299 N -0.06 0.01 -0.92 1.44 3.38 -1.21 -1.76 115.31 116.21 1n4r h LEU 299 Ca 0.21 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.18 1n4r h LEU 299 Cb 0.38 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.12 1n4r h LEU 299 CO -0.47 0.21 0.00 -1.54 0.09 0.00 0.00 178.44 176.73 1n4r n SER 300 N -4.30 0.58 -1.14 -0.43 3.41 -0.02 -1.50 113.62 110.22 1n4r n SER 300 Ca -0.02 0.69 0.10 0.00 -0.26 0.00 0.00 58.87 59.38 1n4r n SER 300 Cb 0.26 -0.79 0.25 0.00 -0.26 0.00 0.00 64.21 63.67 1n4r n SER 300 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1n4r n THR 301 N -2.19 0.83 -2.44 6.66 -2.24 -0.66 -4.31 114.28 109.93 1n4r n THR 301 Ca 0.01 -0.92 -0.41 0.00 -2.27 0.00 0.00 64.05 60.46 1n4r n THR 301 Cb 0.15 0.66 -0.04 0.00 -2.10 0.00 0.00 70.33 69.00 1n4r n THR 301 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 1n4r s GLN 302 N -1.12 4.53 -0.58 -0.78 0.74 -0.56 -1.15 119.66 120.74 1n4r s GLN 302 Ca 0.40 1.79 -0.20 0.00 0.05 0.00 0.00 55.36 57.41 1n4r s GLN 302 Cb 0.22 -3.27 0.08 0.00 1.10 0.00 0.00 33.01 31.14 1n4r s GLN 302 CO 0.29 -0.03 0.75 0.34 -0.55 0.00 0.00 175.29 176.09 1n4r s ASP 303 N 0.11 6.20 0.40 6.67 -1.08 -0.46 -4.91 116.67 123.60 1n4r s ASP 303 Ca 0.52 -1.17 0.29 0.00 -0.52 0.00 0.00 52.55 51.66 1n4r s ASP 303 Cb -0.31 -2.33 1.35 0.00 -1.46 0.00 0.00 42.92 40.17 1n4r s ASP 303 CO 0.35 -1.14 1.86 0.03 0.52 0.00 0.00 175.17 176.80 1n4r h ARG 304 N 9.23 0.00 0.00 4.34 3.08 -1.89 0.16 114.38 129.30 1n4r h ARG 304 Ca -0.29 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 59.73 1n4r h ARG 304 Cb 1.08 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.13 1n4r h ARG 304 CO 1.09 0.00 -0.58 1.25 -1.07 0.00 0.00 179.97 180.65 1n4r h LEU 305 N 0.00 0.00 0.00 3.04 7.12 -1.98 -3.42 115.31 120.07 1n4r h LEU 305 Ca 0.00 -0.09 0.00 0.00 0.13 0.00 0.00 57.88 57.92 1n4r h LEU 305 Cb 0.24 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.37 1n4r h LEU 305 CO 0.00 0.85 -1.36 1.33 -0.13 0.00 0.00 178.44 179.13 1n4r n VAL 306 N -4.60 0.09 0.00 1.05 0.24 -1.24 -5.10 118.33 108.77 1n4r n VAL 306 Ca -0.10 -0.29 0.00 0.00 -2.04 0.00 0.00 64.34 61.91 1n4r n VAL 306 Cb 0.31 0.30 0.00 0.00 -1.47 0.00 0.00 33.84 32.98 1n4r n VAL 306 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1n4r n GLY 307 N 1.35 0.22 0.41 7.63 0.00 0.54 -4.49 105.19 110.85 1n4r n GLY 307 Ca 0.00 -2.00 0.05 0.00 0.00 0.00 0.00 46.02 44.07 1n4r n GLY 307 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1n4r n GLY 308 N 0.04 -1.65 3.39 -0.02 0.00 -1.26 -4.32 105.19 101.37 1n4r n GLY 308 Ca 0.00 -1.42 -0.20 0.00 0.00 0.00 0.00 46.02 44.40 1n4r n GLY 308 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1n4r s PHE 309 N -1.64 1.91 0.49 1.61 0.40 -1.26 -1.36 117.98 118.12 1n4r s PHE 309 Ca 0.00 -0.50 0.03 0.00 -0.60 0.00 0.00 56.93 55.86 1n4r s PHE 309 Cb 0.00 -0.87 -0.02 0.00 0.51 0.00 0.00 43.02 42.64 1n4r s PHE 309 CO 0.00 0.47 0.06 0.00 0.70 0.00 0.00 175.22 176.46 1n4r s ALA 310 N -2.82 3.97 0.12 5.36 0.00 -0.30 -2.69 121.76 125.40 1n4r s ALA 310 Ca 0.25 -0.90 -0.08 0.00 0.00 0.00 0.00 51.96 51.23 1n4r s ALA 310 Cb -0.02 -0.06 -0.10 0.00 0.00 0.00 0.00 23.12 22.94 1n4r s ALA 310 CO 0.10 -0.10 1.32 1.57 0.00 0.00 0.00 175.76 178.65 1n4r h LYS 311 N 1.35 0.61 -5.29 0.00 2.10 -1.88 -3.41 116.57 110.06 1n4r h LYS 311 Ca -0.43 -0.54 -0.40 0.00 -2.00 0.00 0.00 60.65 57.27 1n4r h LYS 311 Cb 1.30 0.13 -0.14 0.00 -0.90 0.00 0.00 32.23 32.61 1n4r h LYS 311 CO 0.73 1.16 -0.70 -1.58 -2.00 0.00 0.00 179.45 177.07 1n4r s TRP 312 N -3.56 1.58 0.52 0.07 0.51 -1.26 -2.31 118.94 114.49 1n4r s TRP 312 Ca -0.08 -0.74 -0.22 0.00 -2.12 0.00 0.00 56.10 52.94 1n4r s TRP 312 Cb 0.09 -0.83 -0.06 0.00 -0.81 0.00 0.00 33.47 31.86 1n4r s TRP 312 CO 0.88 0.16 1.28 -1.25 -0.51 0.00 0.00 176.95 177.51 1n4r s PRO 313 N -3.74 3.35 -1.34 4.98 0.04 -1.26 -2.88 135.00 134.14 1n4r s PRO 313 Ca 0.24 2.04 -0.07 0.00 0.04 0.00 0.00 61.00 63.25 1n4r s PRO 313 Cb 0.03 -2.29 0.02 0.00 0.04 0.00 0.00 34.50 32.29 1n4r s PRO 313 CO 0.06 -0.96 1.10 -0.25 0.04 0.00 0.00 177.00 176.99 1n4r n ASP 314 N -0.87 -4.95 -4.29 6.66 8.00 -1.26 -5.00 116.55 114.83 1n4r n ASP 314 Ca 0.09 -0.60 -0.17 0.00 0.71 0.00 0.00 54.79 54.83 1n4r n ASP 314 Cb 0.46 -4.88 -0.10 0.00 -0.02 0.00 0.00 41.12 36.58 1n4r n ASP 314 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 1n4r s SER 315 N -3.61 2.17 0.10 -2.24 0.15 -1.14 -5.12 113.70 104.01 1n4r s SER 315 Ca 0.43 -0.96 -0.31 0.00 0.70 0.00 0.00 55.95 55.82 1n4r s SER 315 Cb -0.19 -0.08 -0.07 0.00 -1.71 0.00 0.00 66.02 63.97 1n4r s SER 315 CO 0.75 -0.21 1.27 -1.00 1.20 0.00 0.00 173.24 175.24 1n4r s HIS 316 N -2.84 3.37 0.59 3.44 0.09 -1.26 -4.67 115.29 114.01 1n4r s HIS 316 Ca 0.17 1.20 -0.15 0.00 -0.00 0.00 0.00 55.06 56.27 1n4r s HIS 316 Cb -0.01 -3.51 -0.04 0.00 -0.00 0.00 0.00 32.58 29.02 1n4r s HIS 316 CO 0.04 -1.66 1.04 -1.25 -0.00 0.00 0.00 174.74 172.91 1n4r s PRO 317 N 0.89 3.40 0.18 8.40 0.04 -1.26 -4.62 135.00 142.02 1n4r s PRO 317 Ca 0.60 1.12 -0.10 0.00 0.04 0.00 0.00 61.00 62.66 1n4r s PRO 317 Cb -0.32 -2.05 -0.01 0.00 0.04 0.00 0.00 34.50 32.16 1n4r s PRO 317 CO 0.31 -0.74 0.32 0.16 0.04 0.00 0.00 177.00 177.09 1n4r s ASP 318 N -2.98 0.00 0.21 6.66 1.47 -1.10 -4.97 116.67 115.97 1n4r s ASP 318 Ca 0.62 -0.86 -0.09 0.00 1.18 0.00 0.00 52.55 53.40 1n4r s ASP 318 Cb -0.15 0.46 0.27 0.00 -0.34 0.00 0.00 42.92 43.16 1n4r s ASP 318 CO 0.38 -0.93 1.78 0.00 0.68 0.00 0.00 175.17 177.08 1n4r h ALA 319 N 2.49 0.86 0.08 2.11 0.00 -1.97 -1.34 119.26 121.48 1n4r h ALA 319 Ca -0.31 0.05 0.01 0.00 0.00 0.00 0.00 54.91 54.66 1n4r h ALA 319 Cb 1.23 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.97 1n4r h ALA 319 CO 0.46 -0.07 -0.11 1.25 0.00 0.00 0.00 179.25 180.78 1n4r h LEU 320 N 0.56 -0.31 -0.90 0.00 6.46 -1.96 -0.50 115.31 118.65 1n4r h LEU 320 Ca 0.31 0.04 -0.12 0.00 -0.12 0.00 0.00 57.88 57.99 1n4r h LEU 320 Cb 0.29 0.12 -0.02 0.00 -0.73 0.00 0.00 40.66 40.32 1n4r h LEU 320 CO -0.24 -0.17 -0.53 0.45 -0.62 0.00 0.00 178.44 177.33 1n4r h HIS 321 N -0.23 0.07 -0.19 1.25 3.86 -1.76 -1.34 115.15 116.80 1n4r h HIS 321 Ca 0.02 -0.02 -0.02 0.00 -1.16 0.00 0.00 60.37 59.19 1n4r h HIS 321 Cb 0.24 -0.01 -0.01 0.00 1.06 0.00 0.00 27.41 28.69 1n4r h HIS 321 CO -0.14 0.57 0.06 0.00 0.86 0.00 0.00 177.93 179.28 1n4r h ALA 322 N 1.43 0.25 -0.10 2.45 0.00 -0.98 0.21 119.26 122.51 1n4r h ALA 322 Ca -0.00 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 1n4r h ALA 322 Cb 0.95 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.66 1n4r h ALA 322 CO 0.07 -0.13 -0.01 -0.92 0.00 0.00 0.00 179.25 178.27 1n4r h TYR 323 N 0.13 0.20 0.00 0.00 3.20 -0.95 -2.36 116.97 117.18 1n4r h TYR 323 Ca 0.06 -0.04 -0.10 0.00 3.14 0.00 0.00 58.73 61.79 1n4r h TYR 323 Cb 0.24 -0.05 -0.01 0.00 1.54 0.00 0.00 36.73 38.44 1n4r h TYR 323 CO 0.00 0.45 -0.48 0.74 -1.64 0.00 0.00 178.16 177.23 1n4r h PHE 324 N -0.11 0.00 -0.51 -3.82 -1.00 -1.25 -0.81 116.94 109.44 1n4r h PHE 324 Ca 0.03 0.00 -0.09 0.00 2.81 0.00 0.00 57.97 60.71 1n4r h PHE 324 Cb 0.37 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.91 1n4r h PHE 324 CO 0.04 0.48 -0.04 0.78 -1.61 0.00 0.00 178.31 177.96 1n4r h GLY 325 N 1.94 1.01 1.03 -1.45 0.00 -0.55 0.26 103.07 105.32 1n4r h GLY 325 Ca -0.00 -0.78 -0.10 0.00 0.00 0.00 0.00 47.33 46.45 1n4r h GLY 325 CO 0.06 0.71 -0.10 -2.22 0.00 0.00 0.00 176.54 174.99 1n4r h ILE 326 N 0.80 1.27 -0.08 2.60 2.04 -1.17 -0.89 117.51 122.08 1n4r h ILE 326 Ca 0.14 -1.22 -0.08 0.00 1.00 0.00 0.00 64.86 64.70 1n4r h ILE 326 Cb 0.58 1.10 -0.01 0.00 -0.74 0.00 0.00 36.82 37.74 1n4r h ILE 326 CO 0.03 0.42 -0.31 0.00 0.00 0.00 0.00 178.15 178.30 1n4r h GLY 328 N 1.03 0.48 1.02 0.00 0.00 0.02 -1.86 103.07 103.75 1n4r h GLY 328 Ca 0.02 -0.29 -0.01 0.00 0.00 0.00 0.00 47.33 47.05 1n4r h GLY 328 CO 0.04 0.27 0.53 1.41 0.00 0.00 0.00 176.54 178.80 1n4r h LEU 329 N 0.29 1.09 -1.25 3.11 4.07 -0.67 -2.58 115.31 119.38 1n4r h LEU 329 Ca 0.09 -0.07 0.02 0.00 0.08 0.00 0.00 57.88 58.00 1n4r h LEU 329 Cb 0.26 -0.27 -0.04 0.00 1.08 0.00 0.00 40.66 41.68 1n4r h LEU 329 CO -0.00 0.84 0.52 -1.28 -1.08 0.00 0.00 178.44 177.44 1n4r h SER 330 N 1.24 0.86 -0.14 -0.43 0.87 -0.54 -1.76 113.55 113.65 1n4r h SER 330 Ca 0.32 -0.02 0.04 0.00 -1.23 0.00 0.00 61.79 60.91 1n4r h SER 330 Cb -0.04 -0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 61.71 1n4r h SER 330 CO -0.06 0.61 0.13 -0.07 -0.53 0.00 0.00 176.83 176.91 1n4r h LEU 331 N 1.01 0.00 -1.01 2.23 4.07 -0.92 0.12 115.31 120.81 1n4r h LEU 331 Ca 0.30 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.26 1n4r h LEU 331 Cb -0.03 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.71 1n4r h LEU 331 CO -0.08 0.00 -0.36 0.23 -1.08 0.00 0.00 178.44 177.15 1n4r n MET 332 N -4.04 1.51 -0.73 1.13 2.81 -0.78 -5.06 117.12 111.96 1n4r n MET 332 Ca 0.01 -0.96 0.00 0.00 -1.81 0.00 0.00 57.70 54.93 1n4r n MET 332 Cb 0.25 -1.36 0.00 0.00 -0.71 0.00 0.00 33.22 31.40 1n4r n MET 332 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 1n4r n GLU 333 N 0.03 -1.68 -3.75 0.03 1.02 0.03 -5.09 120.64 111.23 1n4r n GLU 333 Ca 0.08 1.33 -0.13 0.00 -0.02 0.00 0.00 57.16 58.42 1n4r n GLU 333 Cb 0.40 -1.32 -0.14 0.00 -0.02 0.00 0.00 31.44 30.37 1n4r n GLU 333 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 1n4r s GLU 334 N -3.01 0.15 0.14 3.49 2.56 -1.25 -4.88 118.70 115.88 1n4r s GLU 334 Ca 0.00 0.40 -0.34 0.00 0.00 0.00 0.00 54.97 55.02 1n4r s GLU 334 Cb 0.00 -0.11 -0.14 0.00 2.00 0.00 0.00 34.13 35.87 1n4r s GLU 334 CO 0.00 -0.14 1.54 0.43 -0.56 0.00 0.00 175.26 176.53 1n4r n SER 335 N 4.00 2.81 0.00 -1.70 7.64 -1.26 -1.41 113.62 123.70 1n4r n SER 335 Ca -0.24 1.09 0.00 0.00 1.01 0.00 0.00 58.87 60.73 1n4r n SER 335 Cb 0.53 -1.38 0.00 0.00 -1.01 0.00 0.00 64.21 62.36 1n4r n SER 335 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1n4r n GLY 336 N 3.27 0.64 3.30 0.23 0.00 -1.26 -5.05 105.19 106.31 1n4r n GLY 336 Ca 0.17 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.89 1n4r n GLY 336 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1n4r s ILE 337 N -2.31 2.02 0.67 -0.61 1.01 -0.50 -4.55 121.20 116.93 1n4r s ILE 337 Ca 0.00 -1.10 -0.08 0.00 0.00 0.00 0.00 60.65 59.47 1n4r s ILE 337 Cb 0.00 -1.67 0.03 0.00 0.01 0.00 0.00 42.46 40.82 1n4r s ILE 337 CO 0.00 0.56 1.02 0.00 0.00 0.00 0.00 174.94 176.52 1n4r s LYS 339 N -5.22 4.27 0.05 0.00 2.20 -1.26 -4.76 119.74 115.02 1n4r s LYS 339 Ca 0.57 1.51 -0.19 0.00 -0.36 0.00 0.00 55.97 57.50 1n4r s LYS 339 Cb -0.11 -3.68 -0.06 0.00 -1.51 0.00 0.00 37.83 32.47 1n4r s LYS 339 CO 0.47 -0.62 0.56 0.54 -0.36 0.00 0.00 175.35 175.94 1n4r s VAL 340 N 3.15 4.80 -0.50 4.02 0.11 -1.26 -0.76 120.40 129.96 1n4r s VAL 340 Ca 0.50 1.18 -0.28 0.00 -2.93 0.00 0.00 61.98 60.45 1n4r s VAL 340 Cb -0.19 -3.88 0.03 0.00 -1.53 0.00 0.00 36.38 30.81 1n4r s VAL 340 CO 0.12 0.53 1.12 -2.28 -3.33 0.00 0.00 175.10 171.26 1n4r s HIS 341 N -0.93 2.78 0.20 1.54 2.46 0.60 -4.79 115.29 117.14 1n4r s HIS 341 Ca 0.29 0.59 -0.15 0.00 0.47 0.00 0.00 55.06 56.25 1n4r s HIS 341 Cb -0.19 -4.40 0.20 0.00 -0.13 0.00 0.00 32.58 28.06 1n4r s HIS 341 CO 0.18 -1.33 1.62 -1.00 -2.47 0.00 0.00 174.74 171.74 1n4r h PRO 342 N 9.29 -0.03 0.03 2.88 0.13 -1.92 -0.72 132.00 141.65 1n4r h PRO 342 Ca -0.24 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 64.69 1n4r h PRO 342 Cb 1.06 0.01 0.02 0.00 0.13 0.00 0.00 31.00 32.22 1n4r h PRO 342 CO 1.13 -0.02 -0.83 0.00 -0.23 0.00 0.00 178.00 178.04 1n4r h ALA 343 N 1.50 0.06 0.00 -0.56 0.00 -1.92 -3.33 119.26 115.01 1n4r h ALA 343 Ca 0.28 -0.64 0.00 0.00 0.00 0.00 0.00 54.91 54.55 1n4r h ALA 343 Cb 0.46 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1n4r h ALA 343 CO -0.63 0.49 0.00 1.25 0.00 0.00 0.00 179.25 180.37 1n4r h LEU 344 N 0.07 0.00 -1.06 0.00 5.85 -1.92 -3.47 115.31 114.77 1n4r h LEU 344 Ca -0.11 0.00 -0.28 0.00 0.84 0.00 0.00 57.88 58.33 1n4r h LEU 344 Cb 1.53 0.00 0.11 0.00 0.37 0.00 0.00 40.66 42.67 1n4r h LEU 344 CO 0.16 0.00 -0.50 -3.20 -0.34 0.00 0.00 178.44 174.56 1n4r n ASN 345 N -3.08 -4.55 -4.18 1.25 5.15 -0.28 -5.03 115.26 104.54 1n4r n ASN 345 Ca 0.04 -0.40 -0.11 0.00 -0.60 0.00 0.00 54.58 53.51 1n4r n ASN 345 Cb 0.53 -3.79 -0.10 0.00 -0.53 0.00 0.00 39.78 35.89 1n4r n ASN 345 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 1n4r s VAL 346 N -3.24 0.03 0.63 3.44 -7.23 -1.24 -4.98 120.40 107.82 1n4r s VAL 346 Ca 0.34 -1.96 -0.15 0.00 -1.81 0.00 0.00 61.98 58.40 1n4r s VAL 346 Cb -0.15 -2.34 -0.02 0.00 0.56 0.00 0.00 36.38 34.43 1n4r s VAL 346 CO 0.53 -0.16 1.08 -0.94 -0.31 0.00 0.00 175.10 175.30 1n4r s SER 347 N -3.12 5.50 0.42 4.85 1.04 -1.26 -0.29 113.70 120.84 1n4r s SER 347 Ca 0.34 1.87 0.10 0.00 0.48 0.00 0.00 55.95 58.73 1n4r s SER 347 Cb 0.07 -2.54 0.91 0.00 0.10 0.00 0.00 66.02 64.57 1n4r s SER 347 CO 0.09 -1.36 2.01 0.71 0.98 0.00 0.00 173.24 175.67 1n4r h THR 348 N 0.20 1.12 -0.39 2.02 1.35 -1.25 -0.26 112.91 115.69 1n4r h THR 348 Ca -0.47 -0.42 0.07 0.00 -0.55 0.00 0.00 66.41 65.04 1n4r h THR 348 Cb 1.23 0.94 -0.06 0.00 -1.73 0.00 0.00 68.15 68.53 1n4r h THR 348 CO 0.56 0.15 0.03 -0.09 -0.25 0.00 0.00 175.52 175.92 1n4r h ARG 349 N 0.29 0.14 -0.34 4.72 2.43 -1.92 -0.20 114.38 119.49 1n4r h ARG 349 Ca 0.07 -0.01 -0.10 0.00 -0.81 0.00 0.00 59.98 59.13 1n4r h ARG 349 Cb 0.15 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.66 1n4r h ARG 349 CO -0.00 0.09 -0.19 1.15 -1.51 0.00 0.00 179.97 179.51 1n4r h THR 350 N 0.14 1.29 0.00 0.20 2.02 -1.60 -1.41 112.91 113.54 1n4r h THR 350 Ca 0.19 -1.32 -0.01 0.00 0.77 0.00 0.00 66.41 66.03 1n4r h THR 350 Cb 0.25 1.40 -0.00 0.00 -1.74 0.00 0.00 68.15 68.06 1n4r h THR 350 CO -0.29 0.43 -0.05 0.77 0.37 0.00 0.00 175.52 176.75 1n4r h SER 351 N 0.52 0.00 0.53 4.18 4.64 -0.54 0.92 113.55 123.79 1n4r h SER 351 Ca 0.07 0.00 -0.29 0.00 -0.47 0.00 0.00 61.79 61.10 1n4r h SER 351 Cb 0.74 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.83 1n4r h SER 351 CO 0.06 0.05 -1.38 -0.33 -0.87 0.00 0.00 176.83 174.36 1n4r h GLU 352 N 0.00 0.29 -0.93 4.77 5.08 -0.94 -2.06 114.58 120.79 1n4r h GLU 352 Ca -0.00 -0.49 0.05 0.00 -1.00 0.00 0.00 59.36 57.92 1n4r h GLU 352 Cb 0.09 0.18 -0.06 0.00 0.50 0.00 0.00 28.75 29.46 1n4r h GLU 352 CO 0.01 1.20 0.60 -0.09 -1.00 0.00 0.00 179.01 179.72 1n4r h ARG 353 N 0.08 1.10 -0.21 2.33 1.12 -0.38 0.08 114.38 118.49 1n4r h ARG 353 Ca -0.19 -0.07 -0.10 0.00 -1.11 0.00 0.00 59.98 58.51 1n4r h ARG 353 Cb 2.01 -0.25 -0.01 0.00 -0.01 0.00 0.00 29.97 31.71 1n4r h ARG 353 CO 0.19 0.73 -0.32 1.25 -3.11 0.00 0.00 179.97 178.71 1n4r h LEU 354 N 1.13 0.44 -0.37 3.80 5.85 -0.82 -1.94 115.31 123.40 1n4r h LEU 354 Ca 0.38 -0.16 -0.03 0.00 0.84 0.00 0.00 57.88 58.91 1n4r h LEU 354 Cb 0.07 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 40.96 1n4r h LEU 354 CO -0.14 0.74 0.12 -0.09 -0.34 0.00 0.00 178.44 178.72 1n4r h ARG 355 N 0.37 0.58 -0.24 1.25 9.65 -0.30 -0.73 114.38 124.95 1n4r h ARG 355 Ca 0.05 -0.13 0.00 0.00 -1.10 0.00 0.00 59.98 58.80 1n4r h ARG 355 Cb 0.74 -0.08 -0.01 0.00 -1.39 0.00 0.00 29.97 29.23 1n4r h ARG 355 CO 0.06 0.59 0.16 -0.44 2.80 0.00 0.00 179.97 183.14 1n4r h ASP 356 N 0.45 0.28 -0.67 -3.80 3.32 -0.98 -1.02 116.42 114.01 1n4r h ASP 356 Ca 0.12 -0.01 0.12 0.00 0.02 0.00 0.00 57.03 57.28 1n4r h ASP 356 Cb 0.26 -0.07 -0.09 0.00 0.22 0.00 0.00 39.33 39.65 1n4r h ASP 356 CO -0.00 0.21 0.22 -0.07 -1.72 0.00 0.00 179.24 177.88 1n4r h LEU 357 N 0.33 0.17 -0.86 1.55 3.38 -1.04 0.02 115.31 118.86 1n4r h LEU 357 Ca 0.09 0.10 -0.10 0.00 0.09 0.00 0.00 57.88 58.07 1n4r h LEU 357 Cb -0.03 0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 1n4r h LEU 357 CO -0.02 0.08 -0.18 0.45 0.09 0.00 0.00 178.44 178.86 1n4r h HIS 358 N 0.37 0.72 0.45 1.13 3.86 -0.70 -2.67 115.15 118.31 1n4r h HIS 358 Ca 0.36 -0.14 -0.02 0.00 -1.16 0.00 0.00 60.37 59.41 1n4r h HIS 358 Cb 0.52 -0.18 -0.00 0.00 1.06 0.00 0.00 27.41 28.80 1n4r h HIS 358 CO -0.20 0.78 -0.24 1.96 0.86 0.00 0.00 177.93 181.09 1n4r h GLN 359 N 0.58 -0.62 0.01 2.45 7.50 0.30 -2.77 115.11 122.56 1n4r h GLN 359 Ca 0.09 0.04 0.02 0.00 0.50 0.00 0.00 58.65 59.31 1n4r h GLN 359 Cb 0.63 0.14 -0.03 0.00 0.05 0.00 0.00 27.48 28.27 1n4r h GLN 359 CO 0.04 -0.41 -0.17 0.66 -1.50 0.00 0.00 178.83 177.45 1n4r h SER 360 N -0.64 -0.48 -1.07 1.46 4.64 -1.20 -2.06 113.55 114.19 1n4r h SER 360 Ca -0.05 0.07 0.30 0.00 -0.47 0.00 0.00 61.79 61.64 1n4r h SER 360 Cb 0.51 0.20 -0.12 0.00 -0.31 0.00 0.00 62.40 62.69 1n4r h SER 360 CO 0.07 -0.23 0.66 -0.50 -0.87 0.00 0.00 176.83 175.97 1n4r h TRP 361 N -0.28 0.77 0.00 4.77 6.55 -1.41 -2.73 115.95 123.62 1n4r h TRP 361 Ca 0.05 0.03 -0.45 0.00 0.95 0.00 0.00 58.89 59.47 1n4r h TRP 361 Cb 0.34 -0.21 -0.01 0.00 -0.86 0.00 0.00 29.16 28.42 1n4r h TRP 361 CO -0.21 -0.03 2.05 1.63 -1.05 0.00 0.00 178.44 180.82 1n4r n LYS 362 N -4.78 2.86 0.00 0.49 4.01 -0.78 -5.13 118.16 114.84 1n4r n LYS 362 Ca 0.29 -1.64 0.00 0.00 -0.51 0.00 0.00 58.31 56.45 1n4r n LYS 362 Cb 0.97 -2.44 0.00 0.00 -0.51 0.00 0.00 35.03 33.05 1n4r n LYS 362 CO 0.00 0.00 0.00 0.25 -1.11 0.00 0.00 177.40 176.54