#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n4r n ASP 19 N 0.00 1.20 -4.53 -1.43 3.85 -1.26 -5.02 116.55 109.36 1n4r n ASP 19 Ca 0.00 -1.21 -0.42 0.00 -0.71 0.00 0.00 54.79 52.45 1n4r n ASP 19 Cb 0.00 0.09 -0.03 0.00 -1.35 0.00 0.00 41.12 39.83 1n4r n ASP 19 CO 0.00 0.00 0.00 0.12 -1.01 0.00 0.00 177.20 176.31 1n4r s PHE 20 N -1.58 2.46 -1.26 2.11 5.36 -1.26 -4.94 117.98 118.87 1n4r s PHE 20 Ca 0.02 -0.09 -0.08 0.00 -0.96 0.00 0.00 56.93 55.81 1n4r s PHE 20 Cb 0.00 -4.49 -0.07 0.00 -0.34 0.00 0.00 43.02 38.12 1n4r s PHE 20 CO 0.01 -1.85 2.50 1.28 -1.46 0.00 0.00 175.22 175.70 1n4r n LEU 21 N 8.71 6.75 -0.36 6.12 4.32 -1.26 -4.80 117.00 136.48 1n4r n LEU 21 Ca 0.02 -3.61 0.03 0.00 -0.02 0.00 0.00 56.01 52.44 1n4r n LEU 21 Cb 0.48 -1.33 0.10 0.00 -1.62 0.00 0.00 43.42 41.05 1n4r n LEU 21 CO 0.69 1.28 0.61 -1.14 -1.22 0.00 0.00 177.39 177.61 1n4r n ARG 22 N 4.04 -0.14 0.02 3.23 0.63 -1.26 -1.64 116.66 121.55 1n4r n ARG 22 Ca 0.61 1.50 -0.11 0.00 -0.92 0.00 0.00 57.85 58.93 1n4r n ARG 22 Cb 0.19 -2.24 -0.06 0.00 0.45 0.00 0.00 32.46 30.80 1n4r n ARG 22 CO 0.00 0.00 0.00 -0.44 -2.51 0.00 0.00 177.63 174.68 1n4r h ASP 23 N 0.00 -0.02 -0.93 6.15 3.32 -2.00 -2.19 116.42 120.75 1n4r h ASP 23 Ca 0.42 0.01 0.17 0.00 0.02 0.00 0.00 57.03 57.65 1n4r h ASP 23 Cb 0.66 0.02 -0.10 0.00 0.22 0.00 0.00 39.33 40.12 1n4r h ASP 23 CO -0.98 -0.00 0.52 0.03 -1.72 0.00 0.00 179.24 177.08 1n4r h ARG 24 N 0.01 0.66 -0.12 3.56 3.08 -1.71 0.76 114.38 120.62 1n4r h ARG 24 Ca 0.02 -0.04 -0.10 0.00 0.07 0.00 0.00 59.98 59.93 1n4r h ARG 24 Cb 0.02 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 29.91 1n4r h ARG 24 CO -0.03 0.44 -0.38 0.45 -1.07 0.00 0.00 179.97 179.37 1n4r h HIS 25 N 0.68 0.29 -0.42 3.04 3.86 -1.22 -0.75 115.15 120.62 1n4r h HIS 25 Ca 0.53 -0.07 -0.07 0.00 -1.16 0.00 0.00 60.37 59.59 1n4r h HIS 25 Cb 0.80 -0.07 -0.01 0.00 1.06 0.00 0.00 27.41 29.19 1n4r h HIS 25 CO -0.05 0.60 -0.01 0.28 0.86 0.00 0.00 177.93 179.61 1n4r h VAL 26 N 0.21 1.26 -0.41 2.45 2.07 -0.26 -1.72 116.25 119.86 1n4r h VAL 26 Ca 0.02 -1.05 -0.03 0.00 0.82 0.00 0.00 66.70 66.46 1n4r h VAL 26 Cb 0.78 1.10 -0.02 0.00 -1.52 0.00 0.00 31.29 31.63 1n4r h VAL 26 CO 0.06 0.36 0.13 0.03 0.02 0.00 0.00 177.57 178.17 1n4r h ARG 27 N 0.59 0.63 -0.36 1.57 3.08 -1.12 -1.71 114.38 117.07 1n4r h ARG 27 Ca 0.12 -0.14 0.08 0.00 0.07 0.00 0.00 59.98 60.11 1n4r h ARG 27 Cb 0.50 -0.09 -0.08 0.00 0.08 0.00 0.00 29.97 30.38 1n4r h ARG 27 CO 0.02 0.63 -0.18 0.35 -1.07 0.00 0.00 179.97 179.72 1n4r h PHE 28 N 0.52 -0.46 -0.41 3.04 3.57 -0.91 0.17 116.94 122.46 1n4r h PHE 28 Ca 0.13 0.04 -0.04 0.00 3.53 0.00 0.00 57.97 61.63 1n4r h PHE 28 Cb 0.26 0.26 -0.02 0.00 2.79 0.00 0.00 35.95 39.24 1n4r h PHE 28 CO 0.01 -0.26 0.08 0.74 -2.23 0.00 0.00 178.31 176.65 1n4r h PHE 29 N -0.12 0.62 -0.27 0.41 0.05 -1.13 -2.38 116.94 114.11 1n4r h PHE 29 Ca 0.18 -0.05 0.00 0.00 3.82 0.00 0.00 57.97 61.92 1n4r h PHE 29 Cb 0.40 -0.19 -0.01 0.00 2.00 0.00 0.00 35.95 38.15 1n4r h PHE 29 CO -0.41 0.55 0.17 1.96 -0.18 0.00 0.00 178.31 180.41 1n4r h GLN 30 N 0.59 0.36 -0.92 1.51 4.20 -0.11 -2.45 115.11 118.30 1n4r h GLN 30 Ca 0.13 -0.03 0.06 0.00 0.06 0.00 0.00 58.65 58.87 1n4r h GLN 30 Cb 0.26 -0.08 -0.06 0.00 0.30 0.00 0.00 27.48 27.90 1n4r h GLN 30 CO -0.00 0.26 0.58 0.00 -0.67 0.00 0.00 178.83 179.00 1n4r h ARG 31 N 0.36 1.05 -0.69 1.46 3.08 -0.66 -2.17 114.38 116.81 1n4r h ARG 31 Ca 0.10 -0.06 0.03 0.00 0.07 0.00 0.00 59.98 60.12 1n4r h ARG 31 Cb -0.02 -0.24 -0.04 0.00 0.08 0.00 0.00 29.97 29.75 1n4r h ARG 31 CO -0.02 0.69 0.43 0.00 -1.07 0.00 0.00 179.97 180.00 1n4r n LEU 33 N -4.68 0.40 0.00 0.00 7.99 -0.84 -4.38 117.00 115.50 1n4r n LEU 33 Ca 0.07 0.60 0.00 0.00 -0.01 0.00 0.00 56.01 56.67 1n4r n LEU 33 Cb 0.09 -0.55 0.00 0.00 -0.11 0.00 0.00 43.42 42.85 1n4r n LEU 33 CO 0.33 -0.45 0.00 0.00 -1.51 0.00 0.00 177.39 175.76 1n4r n GLN 34 N -1.95 0.00 -4.04 3.23 6.02 -0.52 -5.06 117.38 115.06 1n4r n GLN 34 Ca 0.03 0.00 -0.14 0.00 -0.01 0.00 0.00 57.00 56.88 1n4r n GLN 34 Cb 0.20 -0.11 -0.14 0.00 1.02 0.00 0.00 30.24 31.21 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 0.25 0.04 5.09 1.01 -1.16 -5.12 120.40 120.51 1n4r s VAL 35 Ca 0.00 -0.23 0.08 0.00 0.00 0.00 0.00 61.98 61.83 1n4r s VAL 35 Cb 0.00 -0.24 -0.03 0.00 0.00 0.00 0.00 36.38 36.11 1n4r s VAL 35 CO 0.00 0.01 -0.22 -0.76 0.00 0.00 0.00 175.10 174.13 1n4r s LEU 36 N -0.23 2.41 0.57 3.92 1.43 -1.26 -4.80 118.68 120.71 1n4r s LEU 36 Ca -0.00 -0.51 -0.19 0.00 -1.03 0.00 0.00 54.13 52.40 1n4r s LEU 36 Cb -0.02 -1.41 -0.04 0.00 0.03 0.00 0.00 46.19 44.75 1n4r s LEU 36 CO -0.00 0.26 1.14 -2.84 0.23 0.00 0.00 176.35 175.14 1n4r s PRO 37 N -1.36 3.17 0.16 1.29 0.02 -1.26 -4.86 135.00 132.16 1n4r s PRO 37 Ca 0.13 1.63 0.06 0.00 0.02 0.00 0.00 61.00 62.85 1n4r s PRO 37 Cb -0.10 -1.98 0.35 0.00 0.02 0.00 0.00 34.50 32.79 1n4r s PRO 37 CO 0.04 -1.00 1.04 -0.85 -0.33 0.00 0.00 177.00 175.90 1n4r n GLU 38 N -1.54 0.04 0.00 5.54 0.00 -1.26 -0.41 120.64 123.01 1n4r n GLU 38 Ca 0.12 0.43 0.09 0.00 0.00 0.00 0.00 57.16 57.80 1n4r n GLU 38 Cb 0.51 -1.89 0.43 0.00 0.00 0.00 0.00 31.44 30.49 1n4r n GLU 38 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.13 180.02 1n4r n ARG 39 N -1.67 0.22 -0.56 3.44 -4.01 -1.26 -2.53 116.66 110.30 1n4r n ARG 39 Ca -0.00 0.13 0.05 0.00 -1.04 0.00 0.00 57.85 56.98 1n4r n ARG 39 Cb 0.26 -1.50 0.20 0.00 -3.04 0.00 0.00 32.46 28.38 1n4r n ARG 39 CO 0.00 0.00 0.00 0.66 -3.04 0.00 0.00 177.63 175.25 1n4r n TYR 40 N -1.31 0.20 0.27 2.89 4.02 0.45 -4.73 117.16 118.95 1n4r n TYR 40 Ca 0.08 -1.43 0.12 0.00 -0.01 0.00 0.00 57.90 56.65 1n4r n TYR 40 Cb 0.15 -0.28 0.76 0.00 -0.02 0.00 0.00 39.34 39.95 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 0.88 0.00 0.22 7.72 4.64 -1.68 -2.09 113.55 123.24 1n4r h SER 41 Ca 0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 1n4r h SER 41 Cb 1.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.21 1n4r h SER 41 CO 0.07 0.05 0.00 -1.54 -0.87 0.00 0.00 176.83 174.54 1n4r n SER 42 N -4.04 0.00 -0.74 4.97 3.41 -1.26 -1.90 113.62 114.05 1n4r n SER 42 Ca -0.03 -0.07 0.11 0.00 -0.26 0.00 0.00 58.87 58.62 1n4r n SER 42 Cb 0.13 -0.22 0.06 0.00 -0.26 0.00 0.00 64.21 63.93 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 -1.22 2.54 -0.22 1.04 4.77 -0.79 -4.63 117.00 118.49 1n4r n LEU 43 Ca 0.08 -0.92 -0.02 0.00 -0.03 0.00 0.00 56.01 55.13 1n4r n LEU 43 Cb 0.11 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.24 1n4r n LEU 43 CO 0.11 0.44 0.68 -0.08 -1.33 0.00 0.00 177.39 177.22 1n4r h GLU 44 N 3.65 -0.07 0.00 3.23 4.57 -1.53 0.79 114.58 125.21 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 0.85 0.02 0.00 0.00 -0.16 0.00 0.00 28.75 29.45 1n4r h GLU 44 CO 0.00 -0.05 0.00 0.25 -1.18 0.00 0.00 179.01 178.03 1n4r n THR 45 N -5.45 0.00 -2.73 0.32 -2.24 -1.26 -3.13 114.28 99.78 1n4r n THR 45 Ca 0.07 0.00 -0.00 0.00 -2.27 0.00 0.00 64.05 61.85 1n4r n THR 45 Cb 0.36 -0.12 0.06 0.00 -2.10 0.00 0.00 70.33 68.52 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 -0.58 0.84 0.14 3.42 3.41 0.18 -4.09 113.62 116.95 1n4r n SER 46 Ca 0.03 -2.05 0.01 0.00 -0.26 0.00 0.00 58.87 56.60 1n4r n SER 46 Cb 0.02 -0.21 0.32 0.00 -0.26 0.00 0.00 64.21 64.07 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 2.00 0.12 -0.10 4.33 3.08 -1.14 -2.72 114.38 119.95 1n4r h ARG 47 Ca -0.23 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 59.77 1n4r h ARG 47 Cb 1.37 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 31.41 1n4r h ARG 47 CO 0.08 0.46 0.03 1.25 -1.07 0.00 0.00 179.97 180.72 1n4r h LEU 48 N 0.10 0.12 -0.33 3.04 5.85 -1.59 0.37 115.31 122.86 1n4r h LEU 48 Ca 0.01 -0.01 -0.13 0.00 0.84 0.00 0.00 57.88 58.60 1n4r h LEU 48 Cb 0.67 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.65 1n4r h LEU 48 CO 0.05 0.12 -0.61 0.71 -0.34 0.00 0.00 178.44 178.37 1n4r h THR 49 N 0.14 1.16 -0.08 1.05 1.35 -1.78 -1.32 112.91 113.43 1n4r h THR 49 Ca 0.04 -2.35 -0.17 0.00 -0.55 0.00 0.00 66.41 63.37 1n4r h THR 49 Cb 0.05 2.38 -0.01 0.00 -1.73 0.00 0.00 68.15 68.84 1n4r h THR 49 CO -0.00 0.60 -0.69 0.40 -0.25 0.00 0.00 175.52 175.58 1n4r h ILE 50 N 0.00 1.38 -0.29 6.82 1.08 -1.11 -1.43 117.51 123.97 1n4r h ILE 50 Ca -0.01 -2.10 -0.01 0.00 -0.39 0.00 0.00 64.86 62.35 1n4r h ILE 50 Cb 1.33 2.08 -0.01 0.00 -3.07 0.00 0.00 36.82 37.14 1n4r h ILE 50 CO 0.08 0.63 0.13 0.00 -0.69 0.00 0.00 178.15 178.30 1n4r h ALA 51 N 1.00 0.37 -0.43 1.87 0.00 -0.77 -2.25 119.26 119.05 1n4r h ALA 51 Ca -0.02 -0.11 0.05 0.00 0.00 0.00 0.00 54.91 54.83 1n4r h ALA 51 Cb 1.25 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.88 1n4r h ALA 51 CO 0.12 -0.05 0.16 0.35 0.00 0.00 0.00 179.25 179.84 1n4r h PHE 52 N 0.32 0.29 -0.89 0.00 3.57 -1.03 0.31 116.94 119.52 1n4r h PHE 52 Ca 0.10 0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.65 1n4r h PHE 52 Cb 0.15 -0.07 -0.05 0.00 2.79 0.00 0.00 35.95 38.77 1n4r h PHE 52 CO -0.01 0.12 0.58 0.74 -2.23 0.00 0.00 178.31 177.50 1n4r h PHE 53 N 0.34 1.08 -0.02 0.41 0.05 -1.06 -0.37 116.94 117.37 1n4r h PHE 53 Ca 0.20 0.03 -0.05 0.00 3.82 0.00 0.00 57.97 61.97 1n4r h PHE 53 Cb 0.18 -0.36 0.00 0.00 2.00 0.00 0.00 35.95 37.77 1n4r h PHE 53 CO -0.14 0.62 -0.18 0.00 -0.18 0.00 0.00 178.31 178.42 1n4r h ALA 54 N 1.37 0.05 0.37 2.45 0.00 -0.77 -1.21 119.26 121.52 1n4r h ALA 54 Ca 0.36 -0.41 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 1n4r h ALA 54 Cb 0.01 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1n4r h ALA 54 CO -0.12 0.03 -0.18 -0.07 0.00 0.00 0.00 179.25 178.91 1n4r h LEU 55 N -0.46 -0.42 -1.75 0.00 3.38 -0.37 0.40 115.31 116.09 1n4r h LEU 55 Ca -0.02 -0.11 -0.02 0.00 0.09 0.00 0.00 57.88 57.83 1n4r h LEU 55 Cb 0.88 0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.73 1n4r h LEU 55 CO 0.04 -0.12 -0.01 -1.28 0.09 0.00 0.00 178.44 177.16 1n4r h SER 56 N -0.73 0.13 -0.25 -0.43 0.87 -1.20 0.22 113.55 112.15 1n4r h SER 56 Ca -0.05 -0.01 -0.14 0.00 -1.23 0.00 0.00 61.79 60.35 1n4r h SER 56 Cb 0.50 -0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 62.42 1n4r h SER 56 CO 0.08 0.16 -0.37 1.23 -0.53 0.00 0.00 176.83 177.41 1n4r h GLY 57 N 0.34 0.86 0.85 5.77 0.00 -1.01 -0.49 103.07 109.38 1n4r h GLY 57 Ca 0.04 -0.85 -0.09 0.00 0.00 0.00 0.00 47.33 46.43 1n4r h GLY 57 CO 0.00 0.77 -0.23 1.41 0.00 0.00 0.00 176.54 178.49 1n4r h LEU 58 N 0.65 0.55 -0.70 3.11 3.38 0.54 -2.52 115.31 120.32 1n4r h LEU 58 Ca 0.06 -0.49 0.07 0.00 0.09 0.00 0.00 57.88 57.61 1n4r h LEU 58 Cb 0.92 -0.16 -0.06 0.00 0.09 0.00 0.00 40.66 41.45 1n4r h LEU 58 CO 0.08 0.93 0.38 -0.78 0.09 0.00 0.00 178.44 179.14 1n4r h ASP 59 N 0.19 0.55 0.09 -0.43 -0.00 -0.55 0.16 116.42 116.42 1n4r h ASP 59 Ca 0.03 0.04 -0.02 0.00 -0.00 0.00 0.00 57.03 57.08 1n4r h ASP 59 Cb 0.79 -0.07 -0.00 0.00 -0.00 0.00 0.00 39.33 40.05 1n4r h ASP 59 CO 0.06 0.34 -0.08 -0.03 -0.00 0.00 0.00 179.24 179.53 1n4r h MET 60 N 0.68 0.00 -0.32 0.28 4.05 -0.97 0.28 114.93 118.93 1n4r h MET 60 Ca 0.32 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.74 1n4r h MET 60 Cb 0.24 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.04 1n4r h MET 60 CO -0.21 0.08 0.00 1.28 0.23 0.00 0.00 176.91 178.29 1n4r n LEU 61 N -4.31 3.06 -3.45 3.39 4.77 0.04 -1.57 117.00 118.94 1n4r n LEU 61 Ca -0.03 -1.29 -0.22 0.00 -0.03 0.00 0.00 56.01 54.44 1n4r n LEU 61 Cb 0.16 -0.20 0.05 0.00 -2.33 0.00 0.00 43.42 41.10 1n4r n LEU 61 CO 0.34 0.65 -0.01 -0.67 -1.33 0.00 0.00 177.39 176.36 1n4r n ASP 62 N 1.24 -6.08 -1.05 -1.43 2.03 0.34 -4.94 116.55 106.66 1n4r n ASP 62 Ca 0.18 -0.83 0.02 0.00 0.52 0.00 0.00 54.79 54.68 1n4r n ASP 62 Cb 0.55 -4.33 0.01 0.00 -0.72 0.00 0.00 41.12 36.63 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 -2.91 0.48 0.00 1.67 7.64 -0.56 -4.88 113.62 115.06 1n4r n SER 63 Ca -0.08 -1.97 0.03 0.00 1.01 0.00 0.00 58.87 57.87 1n4r n SER 63 Cb 0.60 -0.22 0.16 0.00 -1.01 0.00 0.00 64.21 63.74 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 0.26 0.00 0.07 -3.43 4.77 -1.26 -2.26 117.00 115.16 1n4r n LEU 64 Ca 0.02 0.35 -0.07 0.00 -0.03 0.00 0.00 56.01 56.28 1n4r n LEU 64 Cb 0.93 -0.35 0.08 0.00 -2.33 0.00 0.00 43.42 41.74 1n4r n LEU 64 CO -0.03 -0.28 0.41 -2.24 -1.33 0.00 0.00 177.39 173.93 1n4r h ASP 65 N 0.00 0.32 0.00 -1.43 2.03 -1.96 -3.21 116.42 112.18 1n4r h ASP 65 Ca 0.00 -0.20 0.00 0.00 -0.73 0.00 0.00 57.03 56.10 1n4r h ASP 65 Cb 0.08 -0.09 0.00 0.00 -0.83 0.00 0.00 39.33 38.48 1n4r h ASP 65 CO 0.00 0.90 0.00 1.33 -1.03 0.00 0.00 179.24 180.44 1n4r n VAL 66 N -3.83 0.00 -4.03 4.15 0.24 -0.96 -4.68 118.33 109.23 1n4r n VAL 66 Ca -0.03 0.00 -0.08 0.00 -2.04 0.00 0.00 64.34 62.19 1n4r n VAL 66 Cb 0.67 -0.24 -0.10 0.00 -1.47 0.00 0.00 33.84 32.69 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 -1.36 0.16 -1.10 3.34 -7.23 -1.21 -5.07 120.40 107.93 1n4r s VAL 67 Ca 0.00 -1.33 -0.17 0.00 -1.81 0.00 0.00 61.98 58.67 1n4r s VAL 67 Cb 0.00 -0.88 0.13 0.00 0.56 0.00 0.00 36.38 36.19 1n4r s VAL 67 CO 0.00 -0.74 1.36 0.21 -0.31 0.00 0.00 175.10 175.63 1n4r s ASN 68 N -2.17 6.84 0.39 4.85 3.84 -1.26 -4.85 114.94 122.58 1n4r s ASN 68 Ca -0.05 -2.47 0.23 0.00 0.21 0.00 0.00 52.86 50.79 1n4r s ASN 68 Cb -0.01 -2.44 1.32 0.00 -0.55 0.00 0.00 41.25 39.58 1n4r s ASN 68 CO -0.05 -0.97 1.61 0.11 -2.79 0.00 0.00 177.10 175.01 1n4r h LYS 69 N 8.02 0.10 -0.37 0.43 1.57 -1.92 0.35 116.57 124.75 1n4r h LYS 69 Ca 0.27 -0.01 -0.08 0.00 -1.87 0.00 0.00 60.65 58.96 1n4r h LYS 69 Cb 0.94 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.21 1n4r h LYS 69 CO 1.24 0.06 -0.07 -0.44 -0.57 0.00 0.00 179.45 179.67 1n4r h ASP 70 N 0.10 0.70 0.13 0.86 3.32 -1.92 -1.69 116.42 117.92 1n4r h ASP 70 Ca 0.82 -0.35 -0.01 0.00 0.02 0.00 0.00 57.03 57.51 1n4r h ASP 70 Cb 2.26 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 41.62 1n4r h ASP 70 CO -0.61 0.89 -0.06 0.44 -1.72 0.00 0.00 179.24 178.18 1n4r h ASP 71 N 0.50 -0.15 -0.71 6.45 3.32 -1.35 -2.74 116.42 121.74 1n4r h ASP 71 Ca 0.10 -0.17 0.05 0.00 0.02 0.00 0.00 57.03 57.03 1n4r h ASP 71 Cb 0.58 0.04 -0.04 0.00 0.22 0.00 0.00 39.33 40.12 1n4r h ASP 71 CO 0.03 0.08 0.47 0.40 -1.72 0.00 0.00 179.24 178.50 1n4r h ILE 72 N -0.38 1.05 -0.53 0.35 2.04 -1.48 -1.24 117.51 117.31 1n4r h ILE 72 Ca -0.02 -0.26 -0.06 0.00 1.00 0.00 0.00 64.86 65.51 1n4r h ILE 72 Cb 0.31 0.21 -0.02 0.00 -0.74 0.00 0.00 36.82 36.57 1n4r h ILE 72 CO 0.03 0.14 0.07 0.40 0.00 0.00 0.00 178.15 178.79 1n4r h ILE 73 N 0.77 1.24 -0.45 -0.67 2.04 -1.17 -0.94 117.51 118.34 1n4r h ILE 73 Ca 0.30 -0.93 -0.14 0.00 1.00 0.00 0.00 64.86 65.09 1n4r h ILE 73 Cb 0.19 0.75 -0.01 0.00 -0.74 0.00 0.00 36.82 37.02 1n4r h ILE 73 CO -0.09 0.34 -0.27 -0.33 0.00 0.00 0.00 178.15 177.80 1n4r h GLU 74 N 0.81 0.97 -0.13 2.37 4.39 -0.97 -1.55 114.58 120.46 1n4r h GLU 74 Ca 0.17 -0.44 0.00 0.00 0.34 0.00 0.00 59.36 59.43 1n4r h GLU 74 Cb 0.38 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.01 1n4r h GLU 74 CO 0.01 1.11 0.08 2.35 -1.16 0.00 0.00 179.01 181.40 1n4r h TRP 75 N 0.81 0.15 -0.37 4.33 7.01 -0.92 -1.59 115.95 125.37 1n4r h TRP 75 Ca 0.09 0.00 0.01 0.00 2.11 0.00 0.00 58.89 61.11 1n4r h TRP 75 Cb 0.85 -0.05 -0.02 0.00 -2.10 0.00 0.00 29.16 27.84 1n4r h TRP 75 CO 0.06 0.09 0.22 0.82 -2.79 0.00 0.00 178.44 176.83 1n4r h ILE 76 N 0.16 1.04 0.00 2.65 2.04 -1.07 -1.85 117.51 120.48 1n4r h ILE 76 Ca 0.05 -0.15 -0.01 0.00 1.00 0.00 0.00 64.86 65.75 1n4r h ILE 76 Cb -0.01 0.56 -0.00 0.00 -0.74 0.00 0.00 36.82 36.64 1n4r h ILE 76 CO -0.02 0.08 -0.03 1.88 0.00 0.00 0.00 178.15 180.05 1n4r h TYR 77 N 0.44 0.00 0.00 1.37 0.05 -0.98 0.25 116.97 118.11 1n4r h TYR 77 Ca 0.14 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.92 1n4r h TYR 77 Cb -0.00 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.74 1n4r h TYR 77 CO -0.07 0.03 0.00 -1.13 -1.05 0.00 0.00 178.16 175.94 1n4r n SER 78 N -3.27 0.48 -0.34 3.88 3.41 -0.63 -2.49 113.62 114.66 1n4r n SER 78 Ca -0.02 0.58 0.13 0.00 -0.26 0.00 0.00 58.87 59.30 1n4r n SER 78 Cb 0.18 -0.70 0.30 0.00 -0.26 0.00 0.00 64.21 63.73 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 -1.99 1.35 -4.71 1.04 4.77 0.08 -4.62 117.00 112.91 1n4r n LEU 79 Ca 0.04 -0.41 -0.42 0.00 -0.03 0.00 0.00 56.01 55.19 1n4r n LEU 79 Cb 0.29 -0.08 -0.03 0.00 -2.33 0.00 0.00 43.42 41.27 1n4r n LEU 79 CO 0.23 0.25 0.71 -1.58 -1.33 0.00 0.00 177.39 175.67 1n4r s GLN 80 N -2.43 4.55 -0.68 3.23 0.74 -1.05 -0.26 119.66 123.75 1n4r s GLN 80 Ca 0.25 1.48 -0.21 0.00 0.05 0.00 0.00 55.36 56.93 1n4r s GLN 80 Cb 0.19 -3.43 0.09 0.00 1.10 0.00 0.00 33.01 30.96 1n4r s GLN 80 CO 0.51 -0.06 0.92 0.08 -0.55 0.00 0.00 175.29 176.19 1n4r s VAL 81 N 0.92 4.50 0.43 1.34 1.01 0.73 -4.89 120.40 124.45 1n4r s VAL 81 Ca 0.53 -0.68 -0.12 0.00 0.00 0.00 0.00 61.98 61.70 1n4r s VAL 81 Cb -0.23 -4.65 -0.07 0.00 0.00 0.00 0.00 36.38 31.43 1n4r s VAL 81 CO 0.28 -1.39 0.83 -0.76 0.00 0.00 0.00 175.10 174.06 1n4r s LEU 82 N 3.54 3.77 0.60 3.92 1.43 -1.26 -3.14 118.68 127.54 1n4r s LEU 82 Ca 0.21 1.25 -0.17 0.00 -1.03 0.00 0.00 54.13 54.39 1n4r s LEU 82 Cb -0.17 -4.15 -0.03 0.00 0.03 0.00 0.00 46.19 41.87 1n4r s LEU 82 CO 0.07 -0.45 1.12 -2.16 0.23 0.00 0.00 176.35 175.15 1n4r s PRO 83 N -3.91 3.09 0.76 1.29 0.04 -1.26 -4.48 135.00 130.53 1n4r s PRO 83 Ca 0.53 1.50 -0.09 0.00 0.04 0.00 0.00 61.00 62.97 1n4r s PRO 83 Cb -0.10 -1.98 0.07 0.00 0.04 0.00 0.00 34.50 32.53 1n4r s PRO 83 CO 0.31 -1.04 1.10 0.95 0.04 0.00 0.00 177.00 178.37 1n4r s THR 84 N -2.06 2.13 0.18 1.26 -4.23 -1.26 -3.21 115.64 108.45 1n4r s THR 84 Ca 0.70 -0.13 -0.22 0.00 -1.18 0.00 0.00 61.69 60.86 1n4r s THR 84 Cb -0.22 -3.00 0.10 0.00 1.34 0.00 0.00 72.50 70.72 1n4r s THR 84 CO 0.34 0.00 1.59 1.05 -0.54 0.00 0.00 174.62 177.06 1n4r h GLU 85 N -0.84 -0.18 -0.06 3.99 9.09 -1.96 0.34 114.58 124.96 1n4r h GLU 85 Ca -0.45 0.01 0.00 0.00 0.05 0.00 0.00 59.36 58.97 1n4r h GLU 85 Cb 1.32 0.04 0.00 0.00 -1.65 0.00 0.00 28.75 28.46 1n4r h GLU 85 CO 0.63 -0.12 0.00 -0.40 0.05 0.00 0.00 179.01 179.17 1n4r n ASP 86 N -5.43 0.06 -3.98 3.06 3.85 -1.26 -4.87 116.55 107.98 1n4r n ASP 86 Ca 0.03 -1.63 -0.31 0.00 -0.71 0.00 0.00 54.79 52.17 1n4r n ASP 86 Cb 0.35 -0.03 -0.06 0.00 -1.35 0.00 0.00 41.12 40.04 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 -0.46 -1.47 0.00 0.11 1.74 0.12 -4.79 116.66 111.91 1n4r n ARG 87 Ca 0.00 0.13 0.14 0.00 -0.77 0.00 0.00 57.85 57.34 1n4r n ARG 87 Cb 0.01 -4.70 0.45 0.00 -1.02 0.00 0.00 32.46 27.21 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 -2.22 1.40 -0.89 0.55 3.41 -1.26 -4.10 113.62 110.50 1n4r n SER 88 Ca 0.08 -1.31 0.00 0.00 -0.26 0.00 0.00 58.87 57.38 1n4r n SER 88 Cb 0.47 0.05 0.17 0.00 -0.26 0.00 0.00 64.21 64.64 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 -0.06 2.30 -0.29 4.04 6.94 -1.26 -4.80 115.26 122.14 1n4r n ASN 89 Ca 0.16 -3.84 -0.02 0.00 -0.02 0.00 0.00 54.58 50.87 1n4r n ASN 89 Cb 0.36 -0.49 0.15 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 1.23 1.02 0.00 -4.53 3.38 -1.95 -1.77 115.31 112.68 1n4r h LEU 90 Ca 0.07 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1n4r h LEU 90 Cb 1.12 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.61 1n4r h LEU 90 CO 0.15 0.79 0.00 0.47 0.09 0.00 0.00 178.44 179.94 1n4r n ASP 91 N -4.36 0.00 -0.04 -0.43 8.00 -1.26 -2.31 116.55 116.15 1n4r n ASP 91 Ca 0.09 -0.10 0.01 0.00 0.71 0.00 0.00 54.79 55.50 1n4r n ASP 91 Cb 0.07 -0.13 0.02 0.00 -0.02 0.00 0.00 41.12 41.06 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 -1.13 2.89 -2.41 -1.24 1.74 -0.67 -4.65 116.66 111.20 1n4r n ARG 92 Ca 0.06 -1.60 -0.30 0.00 -0.77 0.00 0.00 57.85 55.24 1n4r n ARG 92 Cb 0.05 -1.05 -0.01 0.00 -1.02 0.00 0.00 32.46 30.43 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 -2.02 0.09 3.33 0.00 0.00 -1.19 -4.47 105.19 100.93 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 1.78 0.29 1.61 0.40 -1.26 -0.19 117.98 116.61 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 -0.03 0.00 0.51 0.00 0.00 43.02 42.61 1n4r s PHE 95 CO 0.00 0.32 0.46 1.03 0.70 0.00 0.00 175.22 177.73 1n4r s ARG 96 N -2.84 3.47 0.26 0.44 0.52 0.64 -0.76 118.95 120.68 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 -2.77 0.18 0.00 0.52 0.00 0.00 34.95 32.82 1n4r s ARG 96 CO 0.06 0.29 1.49 0.78 0.02 0.00 0.00 175.30 177.94 1n4r h GLY 97 N 1.10 0.00 0.00 -3.53 0.00 -1.89 -3.46 103.07 95.29 1n4r h GLY 97 Ca -0.50 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.83 1n4r h GLY 97 CO 0.62 0.00 0.00 -1.14 0.00 0.00 0.00 176.54 176.02 1n4r n SER 98 N -3.41 0.00 -1.84 0.19 3.41 -1.26 -1.51 113.62 109.21 1n4r n SER 98 Ca 0.01 -0.93 0.02 0.00 -0.26 0.00 0.00 58.87 57.71 1n4r n SER 98 Cb 0.72 0.00 0.34 0.00 -0.26 0.00 0.00 64.21 65.02 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 -0.48 5.14 0.33 4.04 3.41 -1.26 -4.64 113.62 120.16 1n4r n SER 99 Ca 0.00 -2.95 0.16 0.00 -0.26 0.00 0.00 58.87 55.82 1n4r n SER 99 Cb 0.00 -0.69 0.84 0.00 -0.26 0.00 0.00 64.21 64.10 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 3.29 0.00 0.00 7.33 -0.00 -1.96 -0.78 116.97 124.85 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 2.00 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 38.73 1n4r h TYR 100 CO 1.08 0.00 0.00 -0.07 -0.00 0.00 0.00 178.16 179.17 1n4r h LEU 101 N 0.00 0.00 -0.06 0.10 3.38 -2.01 -3.47 115.31 113.25 1n4r h LEU 101 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1n4r h LEU 101 Cb 0.64 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.39 1n4r h LEU 101 CO -0.00 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.14 1n4r n GLY 102 N 0.97 0.68 3.76 0.83 0.00 -0.30 -5.05 105.19 106.08 1n4r n GLY 102 Ca 0.05 -0.72 -0.39 0.00 0.00 0.00 0.00 46.02 44.95 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 -2.06 4.78 0.02 -0.61 1.01 -1.26 -4.99 121.20 118.10 1n4r s ILE 103 Ca 0.00 1.44 -0.35 0.00 0.00 0.00 0.00 60.65 61.74 1n4r s ILE 103 Cb 0.00 -4.02 -0.14 0.00 0.01 0.00 0.00 42.46 38.30 1n4r s ILE 103 CO 0.00 0.41 1.62 -0.81 0.00 0.00 0.00 174.94 176.16 1n4r n PRO 104 N 2.62 1.78 -1.40 2.79 -0.04 -1.26 -4.81 135.00 134.68 1n4r n PRO 104 Ca -0.05 0.65 -0.54 0.00 -0.04 0.00 0.00 63.50 63.52 1n4r n PRO 104 Cb 0.50 -2.39 -0.09 0.00 -0.04 0.00 0.00 33.50 31.49 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 4.26 1.49 -3.51 0.54 7.35 -1.26 -4.92 117.46 121.40 1n4r n PHE 105 Ca 0.20 0.45 -0.29 0.00 -0.76 0.00 0.00 57.45 57.06 1n4r n PHE 105 Cb 0.24 -2.45 -0.14 0.00 0.35 0.00 0.00 39.48 37.49 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 6.66 3.27 -0.77 -2.13 2.47 -1.26 -5.06 114.94 118.11 1n4r s ASN 106 Ca 1.12 -1.59 -0.25 0.00 0.42 0.00 0.00 52.86 52.57 1n4r s ASN 106 Cb -1.08 -0.33 -0.20 0.00 -1.45 0.00 0.00 41.25 38.19 1n4r s ASN 106 CO 0.56 -0.39 1.88 -0.81 -3.72 0.00 0.00 177.10 174.62 1n4r n PRO 107 N 4.83 1.01 -4.35 0.43 -0.04 -1.26 -4.21 135.00 131.40 1n4r n PRO 107 Ca 0.01 -1.82 -0.34 0.00 -0.04 0.00 0.00 63.50 61.31 1n4r n PRO 107 Cb 0.40 -3.21 -0.09 0.00 -0.04 0.00 0.00 33.50 30.57 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 11.57 -0.02 0.00 3.54 7.64 -1.04 -4.78 113.62 130.54 1n4r n SER 108 Ca 0.46 -1.24 0.00 0.00 1.01 0.00 0.00 58.87 59.11 1n4r n SER 108 Cb 0.43 -1.76 0.00 0.00 -1.01 0.00 0.00 64.21 61.88 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 -4.43 0.00 -0.38 1.43 5.02 -1.26 -5.04 118.16 113.50 1n4r n LYS 109 Ca -0.20 0.00 -0.27 0.00 -2.02 0.00 0.00 58.31 55.82 1n4r n LYS 109 Cb 0.63 0.00 0.24 0.00 -0.02 0.00 0.00 35.03 35.88 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 -3.38 -3.68 4.39 0.23 -1.26 -5.02 115.26 106.54 1n4r n ASN 110 Ca 0.00 -0.58 0.00 0.00 -0.53 0.00 0.00 54.58 53.47 1n4r n ASN 110 Cb 0.00 -0.97 0.00 0.00 -2.08 0.00 0.00 39.78 36.73 1n4r n ASN 110 CO 0.00 0.00 0.00 0.09 -0.93 0.00 0.00 177.26 176.42 1n4r n PRO 111 N -4.31 2.14 -4.07 -0.53 -0.09 -1.26 -4.99 135.00 121.89 1n4r n PRO 111 Ca 0.09 0.00 -0.34 0.00 -0.09 0.00 0.00 63.50 63.15 1n4r n PRO 111 Cb 0.52 0.00 -0.10 0.00 -0.09 0.00 0.00 33.50 33.83 1n4r n PRO 111 CO 0.00 0.00 0.00 0.20 -0.09 0.00 0.00 175.50 175.61 1n4r s GLY 112 N -0.14 1.86 -0.78 1.68 0.00 -1.20 -4.92 107.32 103.83 1n4r s GLY 112 Ca 0.00 -0.78 -0.23 0.00 0.00 0.00 0.00 44.72 43.71 1n4r s GLY 112 CO 0.00 0.06 1.13 -0.51 0.00 0.00 0.00 173.10 173.77 1n4r s THR 113 N 0.43 4.23 0.14 0.90 -4.23 -1.26 -4.64 115.64 111.21 1n4r s THR 113 Ca 0.02 -0.52 -0.32 0.00 -1.18 0.00 0.00 61.69 59.69 1n4r s THR 113 Cb -0.13 -4.80 -0.18 0.00 1.34 0.00 0.00 72.50 68.73 1n4r s THR 113 CO 0.01 -1.61 0.77 0.00 -0.54 0.00 0.00 174.62 173.24 1n4r n ALA 114 N 7.96 -2.77 -3.68 3.99 0.00 -1.26 -5.00 120.51 119.76 1n4r n ALA 114 Ca 0.08 0.49 -0.09 0.00 0.00 0.00 0.00 53.44 53.91 1n4r n ALA 114 Cb 0.48 -1.72 -0.10 0.00 0.00 0.00 0.00 19.45 18.11 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 -0.63 -0.71 0.40 0.00 5.65 -1.26 -5.06 115.29 113.67 1n4r s HIS 115 Ca 0.72 1.46 0.21 0.00 0.25 0.00 0.00 55.06 57.71 1n4r s HIS 115 Cb -1.01 0.33 1.21 0.00 -1.18 0.00 0.00 32.58 31.93 1n4r s HIS 115 CO 0.56 -0.40 1.69 -1.35 -0.65 0.00 0.00 174.74 174.60 1n4r h PRO 116 N 7.32 0.27 0.00 2.88 0.11 -2.05 -2.89 132.00 137.64 1n4r h PRO 116 Ca -0.32 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.78 1n4r h PRO 116 Cb 1.17 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1n4r h PRO 116 CO 0.24 0.18 -0.03 0.66 -0.21 0.00 0.00 178.00 178.84 1n4r n TYR 117 N -4.75 0.00 -3.33 0.65 4.01 -1.26 -5.02 117.16 107.46 1n4r n TYR 117 Ca 0.31 -0.67 -0.38 0.00 -0.16 0.00 0.00 57.90 56.99 1n4r n TYR 117 Cb 1.09 -0.09 -0.07 0.00 -0.31 0.00 0.00 39.34 39.96 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 -1.82 6.53 0.11 7.72 2.15 -1.09 -5.03 116.67 125.24 1n4r s ASP 118 Ca 0.15 0.64 -0.26 0.00 0.43 0.00 0.00 52.55 53.51 1n4r s ASP 118 Cb 0.13 -2.26 0.07 0.00 -0.30 0.00 0.00 42.92 40.56 1n4r s ASP 118 CO 0.01 -0.09 0.88 -0.94 -0.17 0.00 0.00 175.17 174.87 1n4r s SER 119 N 0.97 -0.28 0.88 -0.34 1.04 -1.26 -4.87 113.70 109.84 1n4r s SER 119 Ca 0.22 -0.24 -0.12 0.00 0.48 0.00 0.00 55.95 56.29 1n4r s SER 119 Cb -0.15 0.48 0.12 0.00 0.10 0.00 0.00 66.02 66.57 1n4r s SER 119 CO 0.09 -0.85 1.13 -0.83 0.98 0.00 0.00 173.24 173.76 1n4r s GLY 120 N -2.76 1.58 -0.10 7.32 0.00 -0.41 -4.70 107.32 108.25 1n4r s GLY 120 Ca 0.09 -0.48 0.00 0.00 0.00 0.00 0.00 44.72 44.33 1n4r s GLY 120 CO -0.03 0.05 -0.08 -1.58 0.00 0.00 0.00 173.10 171.47 1n4r s HIS 121 N -3.28 1.39 0.34 1.90 5.04 0.06 -4.57 115.29 116.18 1n4r s HIS 121 Ca 0.63 -0.64 0.13 0.00 -1.54 0.00 0.00 55.06 53.64 1n4r s HIS 121 Cb -0.14 -1.15 1.01 0.00 0.04 0.00 0.00 32.58 32.34 1n4r s HIS 121 CO 0.53 -0.44 1.69 0.97 -2.34 0.00 0.00 174.74 175.16 1n4r h ILE 122 N 6.14 0.40 0.00 0.89 2.10 -0.96 0.46 117.51 126.55 1n4r h ILE 122 Ca -0.30 -0.15 -0.02 0.00 1.08 0.00 0.00 64.86 65.47 1n4r h ILE 122 Cb 1.14 -0.07 -0.00 0.00 -1.09 0.00 0.00 36.82 36.80 1n4r h ILE 122 CO 0.42 0.08 -0.11 0.00 -1.08 0.00 0.00 178.15 177.45 1n4r h ALA 123 N 1.79 0.98 0.11 0.18 0.00 -1.95 -2.10 119.26 118.27 1n4r h ALA 123 Ca 0.70 -0.10 -0.31 0.00 0.00 0.00 0.00 54.91 55.19 1n4r h ALA 123 Cb 1.50 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.26 1n4r h ALA 123 CO -0.54 0.14 -1.63 0.52 0.00 0.00 0.00 179.25 177.75 1n4r h MET 124 N 0.00 0.23 -0.77 0.00 2.86 -0.46 -2.12 114.93 114.66 1n4r h MET 124 Ca -0.00 -0.39 -0.06 0.00 -2.06 0.00 0.00 59.70 57.20 1n4r h MET 124 Cb 0.75 0.14 -0.03 0.00 0.06 0.00 0.00 31.60 32.52 1n4r h MET 124 CO 0.01 1.06 0.27 1.15 1.06 0.00 0.00 176.91 180.47 1n4r h THR 125 N 0.06 1.26 0.71 2.22 2.02 -0.87 0.38 112.91 118.69 1n4r h THR 125 Ca -0.28 -0.89 -0.03 0.00 0.77 0.00 0.00 66.41 65.98 1n4r h THR 125 Cb 2.02 0.38 0.01 0.00 -1.74 0.00 0.00 68.15 68.82 1n4r h THR 125 CO 0.14 0.35 -0.34 0.22 0.37 0.00 0.00 175.52 176.27 1n4r h TYR 126 N 1.14 -0.88 0.00 3.16 3.20 -1.44 -2.00 116.97 120.15 1n4r h TYR 126 Ca 0.25 -0.02 -0.02 0.00 3.14 0.00 0.00 58.73 62.08 1n4r h TYR 126 Cb 0.28 0.29 -0.00 0.00 1.54 0.00 0.00 36.73 38.84 1n4r h TYR 126 CO 0.02 -0.55 -0.09 1.79 -1.64 0.00 0.00 178.16 177.69 1n4r h THR 127 N -1.19 0.74 0.69 1.81 1.35 -1.35 -0.65 112.91 114.31 1n4r h THR 127 Ca -0.10 -0.36 -0.03 0.00 -0.55 0.00 0.00 66.41 65.37 1n4r h THR 127 Cb 0.73 1.22 0.01 0.00 -1.73 0.00 0.00 68.15 68.37 1n4r h THR 127 CO 0.16 0.09 -0.33 1.23 -0.25 0.00 0.00 175.52 176.42 1n4r h GLY 128 N 0.46 -0.96 0.51 5.82 0.00 -0.19 0.94 103.07 109.65 1n4r h GLY 128 Ca -0.00 0.36 0.08 0.00 0.00 0.00 0.00 47.33 47.77 1n4r h GLY 128 CO 0.01 -0.35 0.30 1.41 0.00 0.00 0.00 176.54 177.91 1n4r h LEU 129 N -1.24 0.39 -0.63 3.11 3.38 -1.22 -0.50 115.31 118.60 1n4r h LEU 129 Ca -0.09 0.06 0.07 0.00 0.09 0.00 0.00 57.88 58.00 1n4r h LEU 129 Cb 0.71 -0.01 -0.06 0.00 0.09 0.00 0.00 40.66 41.40 1n4r h LEU 129 CO 0.15 0.23 0.32 -1.28 0.09 0.00 0.00 178.44 177.96 1n4r h SER 130 N 0.54 0.45 -0.46 -0.43 0.87 -1.09 -1.75 113.55 111.67 1n4r h SER 130 Ca 0.31 0.04 -0.07 0.00 -1.23 0.00 0.00 61.79 60.85 1n4r h SER 130 Cb 0.31 -0.04 -0.02 0.00 -0.44 0.00 0.00 62.40 62.21 1n4r h SER 130 CO -0.25 0.28 0.03 0.00 -0.53 0.00 0.00 176.83 176.37 1n4r h LEU 132 N 0.65 -0.04 -0.70 0.00 3.38 -0.65 -0.58 115.31 117.37 1n4r h LEU 132 Ca 0.13 0.06 -0.00 0.00 0.09 0.00 0.00 57.88 58.16 1n4r h LEU 132 Cb 0.45 0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.26 1n4r h LEU 132 CO 0.02 0.02 0.43 0.40 0.09 0.00 0.00 178.44 179.39 1n4r h ILE 133 N 0.14 1.20 -0.58 1.22 2.04 -1.24 -1.68 117.51 118.60 1n4r h ILE 133 Ca 0.15 -0.42 -0.01 0.00 1.00 0.00 0.00 64.86 65.58 1n4r h ILE 133 Cb 0.17 0.22 -0.03 0.00 -0.74 0.00 0.00 36.82 36.44 1n4r h ILE 133 CO -0.21 0.20 0.32 0.40 0.00 0.00 0.00 178.15 178.85 1n4r h ILE 134 N 0.95 1.18 -0.00 -0.67 2.04 -0.81 -1.89 117.51 118.30 1n4r h ILE 134 Ca 0.25 -0.45 0.00 0.00 1.00 0.00 0.00 64.86 65.66 1n4r h ILE 134 Cb -0.05 0.40 0.00 0.00 -0.74 0.00 0.00 36.82 36.43 1n4r h ILE 134 CO -0.05 0.20 -0.00 0.18 0.00 0.00 0.00 178.15 178.48 1n4r n LEU 135 N -4.39 0.00 0.00 1.44 4.77 -0.28 -4.91 117.00 113.64 1n4r n LEU 135 Ca 0.05 0.23 0.00 0.00 -0.03 0.00 0.00 56.01 56.26 1n4r n LEU 135 Cb 0.10 -0.23 0.00 0.00 -2.33 0.00 0.00 43.42 40.96 1n4r n LEU 135 CO 0.37 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.04 1n4r n GLY 136 N 1.23 0.50 3.55 -0.72 0.00 -0.71 -4.95 105.19 104.09 1n4r n GLY 136 Ca 0.16 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.66 -0.96 1.61 -0.08 -0.69 -4.93 116.55 110.83 1n4r n ASP 137 Ca 0.00 0.42 0.08 0.00 -1.51 0.00 0.00 54.79 53.79 1n4r n ASP 137 Cb 0.00 -1.35 0.23 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 -2.62 3.37 -1.57 1.67 5.68 -1.26 -4.50 116.55 117.32 1n4r n ASP 138 Ca 0.10 -1.99 -0.20 0.00 -0.50 0.00 0.00 54.79 52.20 1n4r n ASP 138 Cb 0.52 -0.34 -0.09 0.00 -1.14 0.00 0.00 41.12 40.08 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 1.04 -1.49 0.17 -2.12 4.32 -1.26 -4.86 117.00 112.80 1n4r n LEU 139 Ca 0.17 0.50 0.01 0.00 -0.02 0.00 0.00 56.01 56.68 1n4r n LEU 139 Cb 0.51 -2.81 0.31 0.00 -1.62 0.00 0.00 43.42 39.81 1n4r n LEU 139 CO 0.12 -1.06 0.67 0.77 -1.22 0.00 0.00 177.39 176.67 1n4r h SER 140 N 0.00 0.00 -0.06 -1.43 4.64 -2.02 -2.62 113.55 112.07 1n4r h SER 140 Ca -0.42 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.90 1n4r h SER 140 Cb 1.33 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.42 1n4r h SER 140 CO 0.61 0.44 0.00 0.54 -0.87 0.00 0.00 176.83 177.55 1n4r n ARG 141 N -4.03 1.46 -3.07 4.77 1.74 -1.26 -4.80 116.66 111.47 1n4r n ARG 141 Ca -0.02 -0.68 -0.41 0.00 -0.77 0.00 0.00 57.85 55.98 1n4r n ARG 141 Cb 0.46 -1.43 -0.06 0.00 -1.02 0.00 0.00 32.46 30.42 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 -1.93 4.97 -1.27 1.55 1.01 -0.99 -4.96 120.40 118.78 1n4r s VAL 142 Ca 0.36 1.25 -0.19 0.00 0.00 0.00 0.00 61.98 63.40 1n4r s VAL 142 Cb 0.19 -3.98 0.03 0.00 0.00 0.00 0.00 36.38 32.61 1n4r s VAL 142 CO 0.30 0.05 1.80 -0.67 0.00 0.00 0.00 175.10 176.57 1n4r n ASP 143 N 5.43 4.43 -0.25 3.32 -0.08 -1.26 -4.80 116.55 123.33 1n4r n ASP 143 Ca 0.00 -2.86 0.05 0.00 -1.51 0.00 0.00 54.79 50.48 1n4r n ASP 143 Cb 0.49 -1.75 0.16 0.00 2.34 0.00 0.00 41.12 42.37 1n4r n ASP 143 CO 0.00 0.00 0.00 0.11 0.12 0.00 0.00 177.20 177.43 1n4r h LYS 144 N 8.15 0.13 -0.63 -0.67 1.57 -1.93 -0.71 116.57 122.48 1n4r h LYS 144 Ca 0.39 -0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 59.12 1n4r h LYS 144 Cb 0.89 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 33.14 1n4r h LYS 144 CO 1.40 0.09 0.25 0.93 -0.57 0.00 0.00 179.45 181.54 1n4r h GLU 145 N 0.13 0.91 -0.31 3.15 4.39 -2.00 -1.83 114.58 119.03 1n4r h GLU 145 Ca 0.41 -0.15 -0.05 0.00 0.34 0.00 0.00 59.36 59.92 1n4r h GLU 145 Cb 0.73 -0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 29.21 1n4r h GLU 145 CO -0.63 0.75 -0.00 0.00 -1.16 0.00 0.00 179.01 177.97 1n4r h ALA 146 N 1.37 0.41 -0.24 3.43 0.00 -1.54 -0.88 119.26 121.82 1n4r h ALA 146 Ca 0.21 -0.24 0.01 0.00 0.00 0.00 0.00 54.91 54.90 1n4r h ALA 146 Cb 0.17 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 1n4r h ALA 146 CO -0.02 0.17 0.14 0.00 0.00 0.00 0.00 179.25 179.54 1n4r h LEU 148 N 0.29 0.83 -0.63 0.00 3.38 -1.25 0.16 115.31 118.08 1n4r h LEU 148 Ca 0.10 -0.08 -0.07 0.00 0.09 0.00 0.00 57.88 57.92 1n4r h LEU 148 Cb 0.00 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.51 1n4r h LEU 148 CO -0.05 0.69 0.13 0.00 0.09 0.00 0.00 178.44 179.31 1n4r h ALA 149 N 1.44 0.84 -0.57 1.53 0.00 -0.60 -1.41 119.26 120.49 1n4r h ALA 149 Ca 0.23 -0.25 -0.08 0.00 0.00 0.00 0.00 54.91 54.81 1n4r h ALA 149 Cb 0.07 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 1n4r h ALA 149 CO -0.03 0.57 0.04 0.78 0.00 0.00 0.00 179.25 180.61 1n4r h GLY 150 N 0.94 1.06 0.84 0.00 0.00 -0.06 -2.80 103.07 103.06 1n4r h GLY 150 Ca 0.20 -0.75 -0.00 0.00 0.00 0.00 0.00 47.33 46.77 1n4r h GLY 150 CO 0.01 0.69 -0.20 -2.00 0.00 0.00 0.00 176.54 175.04 1n4r h LEU 151 N 0.88 -0.52 -0.98 3.11 6.46 -0.36 -2.47 115.31 121.42 1n4r h LEU 151 Ca 0.17 0.04 0.19 0.00 -0.12 0.00 0.00 57.88 58.16 1n4r h LEU 151 Cb 0.49 0.17 -0.11 0.00 -0.73 0.00 0.00 40.66 40.48 1n4r h LEU 151 CO 0.02 -0.31 0.58 0.03 -0.62 0.00 0.00 178.44 178.14 1n4r h ARG 152 N -0.48 0.70 0.00 1.25 3.08 -0.99 0.15 114.38 118.10 1n4r h ARG 152 Ca -0.02 -0.04 -0.00 0.00 0.07 0.00 0.00 59.98 59.99 1n4r h ARG 152 Cb 0.42 -0.16 -0.00 0.00 0.08 0.00 0.00 29.97 30.31 1n4r h ARG 152 CO -0.00 0.46 -0.02 0.00 -1.07 0.00 0.00 179.97 179.34 1n4r h ALA 153 N 1.64 1.15 0.00 0.04 0.00 -1.17 -2.68 119.26 118.24 1n4r h ALA 153 Ca 0.57 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.46 1n4r h ALA 153 Cb 0.89 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.67 1n4r h ALA 153 CO -0.39 0.02 -0.48 -0.07 0.00 0.00 0.00 179.25 178.33 1n4r h LEU 154 N 0.00 0.00 -9.67 0.00 3.38 -0.55 -3.47 115.31 104.99 1n4r h LEU 154 Ca -0.00 -0.01 -0.52 0.00 0.09 0.00 0.00 57.88 57.44 1n4r h LEU 154 Cb 0.12 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.88 1n4r h LEU 154 CO 0.00 0.00 0.50 -1.58 0.09 0.00 0.00 178.44 177.46 1n4r s GLN 155 N -3.28 4.56 0.66 1.13 0.74 -1.01 -1.78 119.66 120.69 1n4r s GLN 155 Ca 0.04 1.78 0.02 0.00 0.05 0.00 0.00 55.36 57.25 1n4r s GLN 155 Cb 0.08 -3.26 0.11 0.00 1.10 0.00 0.00 33.01 31.04 1n4r s GLN 155 CO 0.72 0.03 0.92 -0.51 -0.55 0.00 0.00 175.29 175.91 1n4r s LEU 156 N -0.44 3.05 0.22 3.68 1.43 0.56 -4.98 118.68 122.21 1n4r s LEU 156 Ca 0.50 -0.44 -0.08 0.00 -1.03 0.00 0.00 54.13 53.07 1n4r s LEU 156 Cb -0.31 -2.00 0.19 0.00 0.03 0.00 0.00 46.19 44.11 1n4r s LEU 156 CO 0.36 -1.65 1.89 -0.08 0.23 0.00 0.00 176.35 177.10 1n4r h GLU 157 N -0.28 1.14 0.00 1.70 4.22 -1.96 -2.04 114.58 117.35 1n4r h GLU 157 Ca -0.35 -0.08 0.00 0.00 0.08 0.00 0.00 59.36 59.01 1n4r h GLU 157 Cb 1.27 -0.25 0.00 0.00 0.50 0.00 0.00 28.75 30.27 1n4r h GLU 157 CO 0.41 0.77 0.00 -0.40 -2.18 0.00 0.00 179.01 177.61 1n4r n ASP 158 N -4.47 0.00 0.00 1.04 3.85 -1.26 -4.86 116.55 110.85 1n4r n ASP 158 Ca 0.09 -0.82 0.00 0.00 -0.71 0.00 0.00 54.79 53.35 1n4r n ASP 158 Cb 0.03 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 39.80 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 0.25 2.84 3.61 6.12 0.00 -0.77 -4.07 105.19 113.18 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 0.13 -4.28 1.61 3.41 -1.26 -3.99 113.62 109.24 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 -0.94 -0.10 0.00 -0.26 0.00 0.00 64.21 62.90 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 -3.70 1.48 0.41 7.33 0.40 -1.26 -0.32 117.98 122.32 1n4r s PHE 161 Ca 0.70 -0.61 0.08 0.00 -0.60 0.00 0.00 56.93 56.50 1n4r s PHE 161 Cb -0.02 -0.74 -0.00 0.00 0.51 0.00 0.00 43.02 42.77 1n4r s PHE 161 CO 0.49 0.20 0.49 0.00 0.70 0.00 0.00 175.22 177.11 1n4r n ALA 163 N -1.72 1.28 -2.83 0.00 0.00 -1.26 -4.76 120.51 111.22 1n4r n ALA 163 Ca 0.06 -0.74 -0.12 0.00 0.00 0.00 0.00 53.44 52.63 1n4r n ALA 163 Cb 0.60 -0.74 -0.11 0.00 0.00 0.00 0.00 19.45 19.19 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 -2.58 0.49 0.52 0.00 -7.23 -1.26 -0.31 120.40 110.03 1n4r s VAL 164 Ca -0.12 -1.11 0.17 0.00 -1.81 0.00 0.00 61.98 59.11 1n4r s VAL 164 Cb 0.07 -0.63 0.27 0.00 0.56 0.00 0.00 36.38 36.66 1n4r s VAL 164 CO 0.80 -0.43 2.15 1.55 -0.31 0.00 0.00 175.10 178.86 1n4r h PRO 165 N 4.42 0.00 0.00 4.82 0.13 -1.86 -1.40 132.00 138.11 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 0.42 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.58 1n4r n GLU 166 N -4.51 0.17 0.00 0.86 4.71 -1.26 -4.95 120.64 115.66 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 0.09 -1.90 0.00 0.00 -1.01 0.00 0.00 31.44 28.63 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 -0.46 3.04 3.13 0.62 0.00 -0.53 -5.17 105.19 105.81 1n4r n GLY 167 Ca 0.01 -1.71 0.02 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 -0.99 -4.78 1.61 3.41 -1.26 -4.70 113.62 106.90 1n4r n SER 168 Ca 0.00 -1.25 -0.31 0.00 -0.26 0.00 0.00 58.87 57.05 1n4r n SER 168 Cb 0.00 1.54 0.08 0.00 -0.26 0.00 0.00 64.21 65.57 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 -2.01 2.44 -0.04 4.33 1.03 -1.26 -4.86 118.70 118.32 1n4r s GLU 169 Ca 0.23 1.06 0.02 0.00 0.03 0.00 0.00 54.97 56.31 1n4r s GLU 169 Cb -0.01 -1.93 0.01 0.00 -0.80 0.00 0.00 34.13 31.41 1n4r s GLU 169 CO 0.00 -1.48 -0.09 0.54 -1.33 0.00 0.00 175.26 172.89 1n4r s ASN 170 N -3.55 1.34 0.18 0.83 4.22 -1.26 -4.25 114.94 112.44 1n4r s ASN 170 Ca 0.60 -0.21 -0.12 0.00 -2.14 0.00 0.00 52.86 50.99 1n4r s ASN 170 Cb -0.16 -0.52 0.05 0.00 1.28 0.00 0.00 41.25 41.89 1n4r s ASN 170 CO 0.56 0.03 0.61 -0.90 -2.04 0.00 0.00 177.10 175.35 1n4r n ASP 171 N 3.65 -1.29 -0.20 3.54 5.68 -1.22 -4.94 116.55 121.77 1n4r n ASP 171 Ca -0.22 -1.78 0.18 0.00 -0.50 0.00 0.00 54.79 52.48 1n4r n ASP 171 Cb 0.52 2.11 0.53 0.00 -1.14 0.00 0.00 41.12 43.15 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 0.36 -0.63 0.11 1.85 -1.72 -2.22 114.93 112.68 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 0.79 -0.08 -0.08 0.00 0.43 0.00 0.00 31.60 32.66 1n4r h MET 172 CO 0.25 0.24 0.19 0.00 -0.40 0.00 0.00 176.91 177.19 1n4r h ARG 173 N 0.37 0.32 0.00 0.39 3.08 -1.94 -1.04 114.38 115.56 1n4r h ARG 173 Ca 0.42 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.45 1n4r h ARG 173 Cb 1.08 -0.07 -0.00 0.00 0.08 0.00 0.00 29.97 31.05 1n4r h ARG 173 CO -0.14 0.21 -0.04 0.74 -1.07 0.00 0.00 179.97 179.68 1n4r h PHE 174 N 0.33 0.00 -0.40 3.04 0.05 -1.69 -2.67 116.94 115.60 1n4r h PHE 174 Ca 0.33 0.00 -0.15 0.00 3.82 0.00 0.00 57.97 61.97 1n4r h PHE 174 Cb 0.48 0.00 -0.01 0.00 2.00 0.00 0.00 35.95 38.42 1n4r h PHE 174 CO -0.21 0.04 -0.35 0.28 -0.18 0.00 0.00 178.31 177.88 1n4r h VAL 175 N 0.00 1.27 -0.64 -0.55 2.07 -1.14 -1.08 116.25 116.18 1n4r h VAL 175 Ca -0.00 -1.52 -0.08 0.00 0.82 0.00 0.00 66.70 65.92 1n4r h VAL 175 Cb 0.91 1.33 -0.03 0.00 -1.52 0.00 0.00 31.29 31.99 1n4r h VAL 175 CO 0.00 0.51 0.09 0.22 0.02 0.00 0.00 177.57 178.42 1n4r h TYR 176 N 0.77 1.12 -0.33 1.57 3.20 -1.18 -1.22 116.97 120.89 1n4r h TYR 176 Ca 0.07 -0.15 -0.02 0.00 3.14 0.00 0.00 58.73 61.77 1n4r h TYR 176 Cb 0.94 -0.31 -0.01 0.00 1.54 0.00 0.00 36.73 38.88 1n4r h TYR 176 CO 0.06 0.95 0.13 0.00 -1.64 0.00 0.00 178.16 177.65 1n4r h ALA 178 N 0.97 0.60 -0.39 0.00 0.00 -1.00 -1.11 119.26 118.33 1n4r h ALA 178 Ca 0.11 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.01 1n4r h ALA 178 Cb 0.20 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 1n4r h ALA 178 CO -0.01 0.02 0.22 0.77 0.00 0.00 0.00 179.25 180.25 1n4r h SER 179 N 0.61 0.36 -0.78 0.00 0.02 -0.94 -1.15 113.55 111.67 1n4r h SER 179 Ca 0.18 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 61.09 1n4r h SER 179 Cb -0.03 -0.07 -0.04 0.00 0.14 0.00 0.00 62.40 62.40 1n4r h SER 179 CO -0.06 0.26 0.33 0.00 -1.14 0.00 0.00 176.83 176.22 1n4r h ILE 181 N 1.14 0.98 -0.98 0.00 2.04 -0.81 -0.31 117.51 119.57 1n4r h ILE 181 Ca 0.27 -0.41 0.06 0.00 1.00 0.00 0.00 64.86 65.78 1n4r h ILE 181 Cb 0.19 1.24 -0.06 0.00 -0.74 0.00 0.00 36.82 37.44 1n4r h ILE 181 CO -0.02 0.10 0.63 0.00 0.00 0.00 0.00 178.15 178.86 1n4r h TYR 183 N 1.14 0.16 -0.62 0.00 3.20 -0.96 0.36 116.97 120.24 1n4r h TYR 183 Ca 0.42 -0.02 -0.09 0.00 3.14 0.00 0.00 58.73 62.18 1n4r h TYR 183 Cb 0.17 -0.05 -0.02 0.00 1.54 0.00 0.00 36.73 38.37 1n4r h TYR 183 CO -0.00 0.34 0.03 0.52 -1.64 0.00 0.00 178.16 177.41 1n4r h MET 184 N -0.06 1.07 -0.04 1.82 2.86 -0.67 -0.99 114.93 118.92 1n4r h MET 184 Ca 0.03 -0.33 0.00 0.00 -2.06 0.00 0.00 59.70 57.34 1n4r h MET 184 Cb 0.26 -0.11 0.00 0.00 0.06 0.00 0.00 31.60 31.82 1n4r h MET 184 CO 0.00 1.03 0.00 1.28 1.06 0.00 0.00 176.91 180.28 1n4r n LEU 185 N -4.20 0.34 -4.23 1.22 4.77 -0.31 -4.89 117.00 109.69 1n4r n LEU 185 Ca 0.03 -0.14 -0.31 0.00 -0.03 0.00 0.00 56.01 55.56 1n4r n LEU 185 Cb 0.33 -0.02 -0.07 0.00 -2.33 0.00 0.00 43.42 41.33 1n4r n LEU 185 CO 0.44 0.07 -0.34 -3.20 -1.33 0.00 0.00 177.39 173.03 1n4r n ASN 186 N -0.54 -0.06 -3.54 -1.43 5.15 -0.38 -4.93 115.26 109.53 1n4r n ASN 186 Ca 0.13 -1.17 -0.04 0.00 -0.60 0.00 0.00 54.58 52.90 1n4r n ASN 186 Cb 0.11 -2.12 -0.06 0.00 -0.53 0.00 0.00 39.78 37.19 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 -4.17 -0.68 -0.17 1.20 3.84 -0.02 -5.02 114.94 109.92 1n4r s ASN 187 Ca 0.15 1.09 0.11 0.00 0.21 0.00 0.00 52.86 54.42 1n4r s ASN 187 Cb -0.09 1.78 0.60 0.00 -0.55 0.00 0.00 41.25 43.00 1n4r s ASN 187 CO 0.96 -0.24 1.42 0.79 -2.79 0.00 0.00 177.10 177.24 1n4r n TRP 188 N 5.41 1.51 0.90 0.43 7.02 -1.26 -4.06 117.44 127.40 1n4r n TRP 188 Ca -0.08 -0.53 0.11 0.00 -1.02 0.00 0.00 57.50 55.98 1n4r n TRP 188 Cb 0.50 -0.39 0.51 0.00 -2.42 0.00 0.00 31.31 29.51 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 0.49 0.00 0.03 -0.99 3.41 -1.26 -2.74 113.62 112.56 1n4r n SER 189 Ca 0.20 0.21 0.09 0.00 -0.26 0.00 0.00 58.87 59.12 1n4r n SER 189 Cb 0.93 -0.38 0.40 0.00 -0.26 0.00 0.00 64.21 64.90 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 0.64 -1.18 3.27 5.00 0.00 -1.26 -4.83 105.19 106.84 1n4r n GLY 190 Ca 0.08 -0.03 -0.10 0.00 0.00 0.00 0.00 46.02 45.98 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 -3.07 0.98 -1.00 1.61 0.23 -1.11 -2.56 119.30 114.38 1n4r s MET 191 Ca 0.08 -0.86 -0.15 0.00 -1.03 0.00 0.00 55.69 53.73 1n4r s MET 191 Cb 0.11 0.41 0.19 0.00 -1.53 0.00 0.00 34.83 34.00 1n4r s MET 191 CO 0.35 -0.36 1.11 0.34 -2.03 0.00 0.00 175.02 174.44 1n4r s ASP 192 N -2.84 6.88 0.40 -1.18 3.68 -1.26 -4.90 116.67 117.45 1n4r s ASP 192 Ca 0.05 -2.69 0.19 0.00 2.13 0.00 0.00 52.55 52.23 1n4r s ASP 192 Cb 0.03 -2.32 1.11 0.00 -1.45 0.00 0.00 42.92 40.29 1n4r s ASP 192 CO -0.10 -0.74 1.77 -0.03 0.13 0.00 0.00 175.17 176.19 1n4r h MET 193 N 7.82 0.37 -0.47 4.34 1.85 -1.98 -0.99 114.93 125.88 1n4r h MET 193 Ca 0.19 -0.02 -0.02 0.00 -0.61 0.00 0.00 59.70 59.23 1n4r h MET 193 Cb 0.97 -0.08 -0.02 0.00 0.43 0.00 0.00 31.60 32.89 1n4r h MET 193 CO 1.04 0.25 0.21 -0.22 -0.40 0.00 0.00 176.91 177.79 1n4r h LYS 194 N 0.39 0.68 -0.15 0.39 3.64 -2.00 -1.03 116.57 118.49 1n4r h LYS 194 Ca 0.60 -0.11 -0.14 0.00 -1.27 0.00 0.00 60.65 59.74 1n4r h LYS 194 Cb 1.54 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 33.23 1n4r h LYS 194 CO -0.30 0.60 -0.48 0.87 -2.27 0.00 0.00 179.45 177.86 1n4r h LYS 195 N 0.61 0.40 -0.37 1.90 1.57 -1.57 -1.99 116.57 117.11 1n4r h LYS 195 Ca 0.16 -0.23 -0.03 0.00 -1.87 0.00 0.00 60.65 58.68 1n4r h LYS 195 Cb 0.15 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.46 1n4r h LYS 195 CO -0.02 0.80 0.10 0.00 -0.57 0.00 0.00 179.45 179.76 1n4r h ALA 196 N 1.16 0.49 -0.88 3.86 0.00 -1.14 -1.60 119.26 121.16 1n4r h ALA 196 Ca 0.02 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 1n4r h ALA 196 Cb 0.97 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.58 1n4r h ALA 196 CO 0.08 0.15 0.52 0.82 0.00 0.00 0.00 179.25 180.83 1n4r h ILE 197 N 0.45 1.25 -0.72 0.00 2.04 -1.10 -1.28 117.51 118.15 1n4r h ILE 197 Ca 0.12 -0.56 0.03 0.00 1.00 0.00 0.00 64.86 65.45 1n4r h ILE 197 Cb 0.29 0.02 -0.04 0.00 -0.74 0.00 0.00 36.82 36.34 1n4r h ILE 197 CO -0.00 0.26 0.45 -1.28 0.00 0.00 0.00 178.15 177.58 1n4r h SER 198 N 1.22 0.74 -0.40 1.72 0.87 -1.00 -0.55 113.55 116.16 1n4r h SER 198 Ca 0.32 -0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.87 1n4r h SER 198 Cb -0.03 -0.16 -0.02 0.00 -0.44 0.00 0.00 62.40 61.75 1n4r h SER 198 CO -0.06 0.52 0.22 0.22 -0.53 0.00 0.00 176.83 177.20 1n4r h TYR 199 N 0.88 0.55 -0.66 2.24 3.20 -0.38 -1.18 116.97 121.61 1n4r h TYR 199 Ca 0.29 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.14 1n4r h TYR 199 Cb 0.01 -0.17 -0.03 0.00 1.54 0.00 0.00 36.73 38.08 1n4r h TYR 199 CO -0.04 0.42 0.39 0.82 -1.64 0.00 0.00 178.16 178.11 1n4r h ILE 200 N 0.51 1.20 -0.09 1.81 2.04 -0.72 -2.57 117.51 119.68 1n4r h ILE 200 Ca 0.14 -0.45 -0.00 0.00 1.00 0.00 0.00 64.86 65.55 1n4r h ILE 200 Cb 0.05 0.29 -0.00 0.00 -0.74 0.00 0.00 36.82 36.42 1n4r h ILE 200 CO -0.02 0.21 0.04 0.03 0.00 0.00 0.00 178.15 178.40 1n4r h ARG 201 N 0.90 0.14 0.00 2.37 3.08 -0.85 -2.66 114.38 117.36 1n4r h ARG 201 Ca 0.24 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.26 1n4r h ARG 201 Cb -0.01 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.01 1n4r h ARG 201 CO -0.04 0.23 0.00 0.54 -1.07 0.00 0.00 179.97 179.63 1n4r n ARG 202 N -4.94 0.06 0.00 0.04 1.74 -0.47 -1.57 116.66 111.52 1n4r n ARG 202 Ca -0.06 0.55 0.13 0.00 -0.77 0.00 0.00 57.85 57.70 1n4r n ARG 202 Cb 0.10 -1.71 0.36 0.00 -1.02 0.00 0.00 32.46 30.20 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 -1.84 0.98 -4.71 0.55 3.41 -0.99 -3.98 113.62 107.04 1n4r n SER 203 Ca -0.00 -0.84 -0.42 0.00 -0.26 0.00 0.00 58.87 57.35 1n4r n SER 203 Cb 0.02 0.15 -0.03 0.00 -0.26 0.00 0.00 64.21 64.09 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 -2.55 4.32 0.69 4.33 -2.45 -0.61 -1.24 119.30 121.80 1n4r s MET 204 Ca 0.23 2.06 -0.05 0.00 -1.25 0.00 0.00 55.69 56.68 1n4r s MET 204 Cb 0.19 -3.26 0.07 0.00 1.25 0.00 0.00 34.83 33.08 1n4r s MET 204 CO 0.54 -0.43 0.98 0.45 1.05 0.00 0.00 175.02 177.60 1n4r s SER 205 N 1.12 4.76 0.51 1.11 0.15 -0.10 -4.88 113.70 116.37 1n4r s SER 205 Ca 0.64 0.25 0.27 0.00 0.70 0.00 0.00 55.95 57.81 1n4r s SER 205 Cb -0.36 -0.88 1.37 0.00 -1.71 0.00 0.00 66.02 64.43 1n4r s SER 205 CO 0.30 -1.60 2.03 0.10 1.20 0.00 0.00 173.24 175.27 1n4r h TYR 206 N -0.51 0.00 -0.18 3.44 -0.00 -1.95 -0.72 116.97 117.06 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 0.19 0.14 0.00 -0.40 -0.00 0.00 0.00 178.16 178.09 1n4r n ASP 207 N -3.61 1.67 0.00 0.10 3.85 -1.26 -4.94 116.55 112.35 1n4r n ASP 207 Ca -0.02 -1.73 0.00 0.00 -0.71 0.00 0.00 54.79 52.34 1n4r n ASP 207 Cb 0.27 -0.11 0.00 0.00 -1.35 0.00 0.00 41.12 39.92 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 0.33 0.00 -4.51 -1.12 3.02 -0.28 -4.78 115.26 107.92 1n4r n ASN 208 Ca 0.16 0.00 -0.26 0.00 -0.03 0.00 0.00 54.58 54.45 1n4r n ASN 208 Cb 0.32 0.00 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 -1.97 1.76 -0.09 7.41 0.00 -1.26 -4.19 107.32 108.98 1n4r s GLY 209 Ca 0.00 -1.53 -0.02 0.00 0.00 0.00 0.00 44.72 43.18 1n4r s GLY 209 CO 0.00 -0.90 -0.01 1.08 0.00 0.00 0.00 173.10 173.27 1n4r s LEU 210 N -5.39 3.51 0.54 0.66 1.02 -1.26 -0.92 118.68 116.84 1n4r s LEU 210 Ca 0.68 0.11 0.07 0.00 0.02 0.00 0.00 54.13 55.01 1n4r s LEU 210 Cb -0.05 -1.80 0.05 0.00 0.02 0.00 0.00 46.19 44.41 1n4r s LEU 210 CO 0.47 0.36 0.52 0.00 0.02 0.00 0.00 176.35 177.72 1n4r s ALA 211 N -0.79 4.49 0.37 4.21 0.00 -0.37 -0.87 121.76 128.79 1n4r s ALA 211 Ca 0.12 -1.58 0.29 0.00 0.00 0.00 0.00 51.96 50.79 1n4r s ALA 211 Cb -0.11 -0.98 1.48 0.00 0.00 0.00 0.00 23.12 23.51 1n4r s ALA 211 CO 0.02 -0.55 2.06 1.96 0.00 0.00 0.00 175.76 179.25 1n4r h GLN 212 N 0.60 0.00 -1.96 0.00 1.08 -1.88 -3.45 115.11 109.50 1n4r h GLN 212 Ca -0.35 0.00 0.22 0.00 -1.45 0.00 0.00 58.65 57.07 1n4r h GLN 212 Cb 1.30 0.00 -0.11 0.00 -0.05 0.00 0.00 27.48 28.61 1n4r h GLN 212 CO 0.52 0.11 0.63 0.20 -0.95 0.00 0.00 178.83 179.33 1n4r s GLY 213 N -4.20 -0.33 0.19 3.46 0.00 -1.26 -2.03 107.32 103.15 1n4r s GLY 213 Ca -0.02 0.56 -0.33 0.00 0.00 0.00 0.00 44.72 44.93 1n4r s GLY 213 CO 0.57 0.13 1.33 0.00 0.00 0.00 0.00 173.10 175.13 1n4r n ALA 214 N -0.41 0.22 0.00 3.20 0.00 -1.26 -2.15 120.51 120.11 1n4r n ALA 214 Ca -0.07 0.45 0.00 0.00 0.00 0.00 0.00 53.44 53.82 1n4r n ALA 214 Cb 0.61 -2.17 0.00 0.00 0.00 0.00 0.00 19.45 17.89 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 2.31 2.95 3.80 0.00 0.00 -1.26 -5.02 105.19 107.96 1n4r n GLY 215 Ca 0.14 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 2.62 0.11 0.99 2.01 -0.91 -4.98 118.68 118.51 1n4r s LEU 216 Ca 0.00 1.34 -0.31 0.00 0.01 0.00 0.00 54.13 55.17 1n4r s LEU 216 Cb 0.00 -3.96 -0.09 0.00 0.01 0.00 0.00 46.19 42.15 1n4r s LEU 216 CO 0.00 -1.97 1.56 -0.70 1.01 0.00 0.00 176.35 176.25 1n4r s GLU 217 N -5.14 4.23 0.55 1.70 2.12 -1.26 -4.68 118.70 116.22 1n4r s GLU 217 Ca 0.61 2.27 -0.21 0.00 0.36 0.00 0.00 54.97 58.00 1n4r s GLU 217 Cb -0.15 -3.37 -0.05 0.00 0.26 0.00 0.00 34.13 30.82 1n4r s GLU 217 CO 0.54 -0.63 1.33 -1.54 -0.54 0.00 0.00 175.26 174.42 1n4r s SER 218 N 1.68 5.32 0.01 -1.70 1.04 -1.26 -4.40 113.70 114.38 1n4r s SER 218 Ca 0.70 2.69 -0.09 0.00 0.48 0.00 0.00 55.95 59.74 1n4r s SER 218 Cb -0.40 -2.63 0.00 0.00 0.10 0.00 0.00 66.02 63.09 1n4r s SER 218 CO 0.31 -1.53 0.17 -2.28 0.98 0.00 0.00 173.24 170.88 1n4r s HIS 219 N -1.35 0.02 0.27 5.02 2.46 -0.05 -4.85 115.29 116.82 1n4r s HIS 219 Ca 0.72 -0.12 -0.02 0.00 0.47 0.00 0.00 55.06 56.11 1n4r s HIS 219 Cb -0.39 -0.03 0.43 0.00 -0.13 0.00 0.00 32.58 32.46 1n4r s HIS 219 CO 0.45 -0.32 1.87 0.78 -2.47 0.00 0.00 174.74 175.05 1n4r h GLY 220 N 4.07 1.54 0.78 1.59 0.00 -0.77 -0.68 103.07 109.61 1n4r h GLY 220 Ca -0.31 -0.46 -0.03 0.00 0.00 0.00 0.00 47.33 46.53 1n4r h GLY 220 CO 0.42 0.30 -0.01 -1.33 0.00 0.00 0.00 176.54 175.92 1n4r h GLY 221 N 1.14 0.31 1.96 4.60 0.00 -1.91 -2.07 103.07 107.09 1n4r h GLY 221 Ca 0.44 -0.24 -0.12 0.00 0.00 0.00 0.00 47.33 47.41 1n4r h GLY 221 CO -0.19 0.22 -0.55 1.48 0.00 0.00 0.00 176.54 177.51 1n4r h SER 222 N 0.02 0.05 -0.52 0.19 4.64 -1.78 -1.37 113.55 114.77 1n4r h SER 222 Ca 0.04 -0.03 -0.09 0.00 -0.47 0.00 0.00 61.79 61.25 1n4r h SER 222 Cb 0.41 -0.01 -0.02 0.00 -0.31 0.00 0.00 62.40 62.47 1n4r h SER 222 CO 0.01 0.59 -0.01 0.74 -0.87 0.00 0.00 176.83 177.29 1n4r h THR 223 N 0.04 1.26 -0.00 2.95 2.02 -1.08 0.32 112.91 118.41 1n4r h THR 223 Ca -0.00 -1.11 -0.00 0.00 0.77 0.00 0.00 66.41 66.07 1n4r h THR 223 Cb 0.98 0.94 -0.00 0.00 -1.74 0.00 0.00 68.15 68.33 1n4r h THR 223 CO 0.07 0.39 0.00 0.15 0.37 0.00 0.00 175.52 176.51 1n4r h PHE 224 N 0.79 0.01 -0.69 3.16 3.57 -1.11 -0.66 116.94 122.01 1n4r h PHE 224 Ca 0.15 -0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.71 1n4r h PHE 224 Cb 0.54 -0.00 -0.06 0.00 2.79 0.00 0.00 35.95 39.22 1n4r h PHE 224 CO 0.04 0.10 0.38 0.00 -2.23 0.00 0.00 178.31 176.61 1n4r h GLY 226 N 0.70 -0.52 0.86 0.00 0.00 -0.77 -1.52 103.07 101.82 1n4r h GLY 226 Ca 0.31 0.19 0.02 0.00 0.00 0.00 0.00 47.33 47.86 1n4r h GLY 226 CO -0.19 -0.19 0.11 -2.22 0.00 0.00 0.00 176.54 174.05 1n4r h ILE 227 N -0.83 0.98 -0.93 2.60 1.08 -0.99 -1.83 117.51 117.58 1n4r h ILE 227 Ca -0.05 -0.08 0.02 0.00 -0.39 0.00 0.00 64.86 64.36 1n4r h ILE 227 Cb 0.53 0.72 -0.05 0.00 -3.07 0.00 0.00 36.82 34.95 1n4r h ILE 227 CO 0.08 0.04 0.62 0.00 -0.69 0.00 0.00 178.15 178.20 1n4r h ALA 228 N 1.13 1.36 -0.21 1.87 0.00 -0.82 -0.64 119.26 121.96 1n4r h ALA 228 Ca 0.10 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 1n4r h ALA 228 Cb 0.04 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.46 1n4r h ALA 228 CO -0.08 0.57 0.11 0.77 0.00 0.00 0.00 179.25 180.62 1n4r h SER 229 N 1.23 0.26 -0.79 0.00 0.02 -0.77 -0.01 113.55 113.49 1n4r h SER 229 Ca 0.35 -0.09 0.00 0.00 -0.84 0.00 0.00 61.79 61.21 1n4r h SER 229 Cb -0.08 -0.07 -0.04 0.00 0.14 0.00 0.00 62.40 62.35 1n4r h SER 229 CO -0.09 0.28 0.50 -0.07 -1.14 0.00 0.00 176.83 176.31 1n4r h LEU 230 N 0.22 0.93 -0.45 5.07 3.38 -0.80 -1.30 115.31 122.36 1n4r h LEU 230 Ca 0.07 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 1n4r h LEU 230 Cb 0.08 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 1n4r h LEU 230 CO -0.01 0.70 0.25 0.00 0.09 0.00 0.00 178.44 179.46 1n4r h LEU 232 N 0.59 0.25 -0.00 0.00 4.07 -0.52 0.20 115.31 119.91 1n4r h LEU 232 Ca 0.16 -0.01 0.00 0.00 0.08 0.00 0.00 57.88 58.11 1n4r h LEU 232 Cb 0.06 -0.06 0.00 0.00 1.08 0.00 0.00 40.66 41.73 1n4r h LEU 232 CO -0.03 0.18 -0.26 0.23 -1.08 0.00 0.00 178.44 177.49 1n4r n MET 233 N -4.50 0.00 -3.11 1.13 2.81 -0.53 -4.94 117.12 107.98 1n4r n MET 233 Ca 0.01 -0.00 -0.14 0.00 -1.81 0.00 0.00 57.70 55.76 1n4r n MET 233 Cb 0.11 -1.50 0.06 0.00 -0.71 0.00 0.00 33.22 31.18 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 1.50 -0.13 0.64 3.03 0.00 0.71 -4.95 105.19 106.00 1n4r n GLY 234 Ca 0.06 -0.05 0.01 0.00 0.00 0.00 0.00 46.02 46.05 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 -3.40 0.07 0.25 1.61 5.02 -0.25 -4.91 118.16 116.54 1n4r n LYS 235 Ca -0.13 -1.25 -0.17 0.00 -2.02 0.00 0.00 58.31 54.74 1n4r n LYS 235 Cb 0.59 -0.47 -0.10 0.00 -0.02 0.00 0.00 35.03 35.04 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 0.17 -1.41 -0.94 -0.35 6.46 -1.91 -0.50 115.31 116.84 1n4r h LEU 236 Ca -0.04 0.12 0.11 0.00 -0.12 0.00 0.00 57.88 57.95 1n4r h LEU 236 Cb 1.46 0.48 -0.08 0.00 -0.73 0.00 0.00 40.66 41.79 1n4r h LEU 236 CO 0.02 -0.63 0.58 -0.33 -0.62 0.00 0.00 178.44 177.46 1n4r h GLU 237 N -0.93 0.90 -0.35 1.25 4.39 -1.91 -1.36 114.58 116.57 1n4r h GLU 237 Ca -0.05 -0.05 -0.12 0.00 0.34 0.00 0.00 59.36 59.47 1n4r h GLU 237 Cb 0.83 -0.20 -0.01 0.00 -0.10 0.00 0.00 28.75 29.26 1n4r h GLU 237 CO -0.11 0.60 -0.28 1.49 -1.16 0.00 0.00 179.01 179.54 1n4r h GLU 238 N 0.93 0.74 0.22 2.33 4.81 -1.84 -3.33 114.58 118.44 1n4r h GLU 238 Ca 0.46 -0.32 -0.31 0.00 -0.13 0.00 0.00 59.36 59.06 1n4r h GLU 238 Cb 0.44 -0.02 0.03 0.00 0.63 0.00 0.00 28.75 29.83 1n4r h GLU 238 CO -0.26 0.94 -1.38 0.28 -0.73 0.00 0.00 179.01 177.86 1n4r h VAL 239 N 0.63 1.27 -3.60 0.32 2.07 -0.52 -3.46 116.25 112.97 1n4r h VAL 239 Ca 0.08 -2.63 -0.67 0.00 0.82 0.00 0.00 66.70 64.30 1n4r h VAL 239 Cb 0.80 3.03 -0.23 0.00 -1.52 0.00 0.00 31.29 33.37 1n4r h VAL 239 CO 0.07 0.79 -0.73 -0.36 0.02 0.00 0.00 177.57 177.36 1n4r s PHE 240 N -2.55 2.86 0.94 1.57 2.99 -0.56 -5.08 117.98 118.13 1n4r s PHE 240 Ca -0.11 -0.27 -0.12 0.00 0.00 0.00 0.00 56.93 56.43 1n4r s PHE 240 Cb 0.04 -1.77 0.15 0.00 0.00 0.00 0.00 43.02 41.44 1n4r s PHE 240 CO 0.90 0.08 1.10 -1.54 -0.00 0.00 0.00 175.22 175.76 1n4r s SER 241 N -0.26 3.17 0.24 1.36 1.04 -1.26 -4.60 113.70 113.39 1n4r s SER 241 Ca 0.03 1.30 -0.06 0.00 0.48 0.00 0.00 55.95 57.70 1n4r s SER 241 Cb -0.13 -1.97 0.25 0.00 0.10 0.00 0.00 66.02 64.28 1n4r s SER 241 CO 0.03 -2.80 1.83 -0.08 0.98 0.00 0.00 173.24 173.20 1n4r h GLU 242 N -1.66 1.14 -0.52 4.02 4.81 -1.99 0.89 114.58 121.28 1n4r h GLU 242 Ca -0.52 -0.17 -0.05 0.00 -0.13 0.00 0.00 59.36 58.50 1n4r h GLU 242 Cb 1.31 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 30.46 1n4r h GLU 242 CO 0.57 0.89 0.14 -0.22 -0.73 0.00 0.00 179.01 179.66 1n4r h LYS 243 N 1.13 0.81 -0.12 1.92 1.63 -1.99 -0.96 116.57 118.99 1n4r h LYS 243 Ca 0.27 -0.19 -0.00 0.00 -0.85 0.00 0.00 60.65 59.88 1n4r h LYS 243 Cb 0.13 -0.11 -0.01 0.00 -0.60 0.00 0.00 32.23 31.64 1n4r h LYS 243 CO -0.03 0.77 0.06 0.93 -3.45 0.00 0.00 179.45 177.73 1n4r h GLU 244 N 0.71 0.17 -0.35 1.90 5.08 -1.75 -1.72 114.58 118.62 1n4r h GLU 244 Ca 0.16 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.50 1n4r h GLU 244 Cb 0.31 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.51 1n4r h GLU 244 CO -0.00 0.21 0.21 -0.07 -1.00 0.00 0.00 179.01 178.36 1n4r h LEU 245 N 0.09 0.41 -0.54 1.33 3.38 -0.68 -0.90 115.31 118.41 1n4r h LEU 245 Ca 0.04 -0.02 -0.08 0.00 0.09 0.00 0.00 57.88 57.92 1n4r h LEU 245 Cb 0.09 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 1n4r h LEU 245 CO -0.01 0.32 0.04 0.78 0.09 0.00 0.00 178.44 179.66 1n4r h ASN 246 N 0.48 0.89 -0.44 -0.43 2.35 -0.70 -0.09 115.58 117.65 1n4r h ASN 246 Ca 0.13 -0.29 -0.04 0.00 -0.55 0.00 0.00 56.30 55.55 1n4r h ASN 246 Cb -0.02 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.09 1n4r h ASN 246 CO -0.02 0.96 0.11 0.03 -1.65 0.00 0.00 177.43 176.85 1n4r h ARG 247 N 0.80 0.71 -0.38 0.81 3.08 -0.43 -1.67 114.38 117.30 1n4r h ARG 247 Ca 0.16 -0.17 -0.01 0.00 0.07 0.00 0.00 59.98 60.02 1n4r h ARG 247 Cb 0.48 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.42 1n4r h ARG 247 CO 0.02 0.71 0.18 0.82 -1.07 0.00 0.00 179.97 180.63 1n4r h ILE 248 N 0.58 1.17 -0.75 2.04 2.04 -1.02 -1.19 117.51 120.38 1n4r h ILE 248 Ca 0.14 -0.49 0.08 0.00 1.00 0.00 0.00 64.86 65.59 1n4r h ILE 248 Cb 0.32 0.79 -0.06 0.00 -0.74 0.00 0.00 36.82 37.13 1n4r h ILE 248 CO 0.00 0.18 0.41 0.11 0.00 0.00 0.00 178.15 178.86 1n4r h LYS 249 N 0.47 0.71 -0.52 2.37 1.57 -0.84 -0.43 116.57 119.90 1n4r h LYS 249 Ca 0.13 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.86 1n4r h LYS 249 Cb 0.12 -0.16 -0.03 0.00 0.08 0.00 0.00 32.23 32.25 1n4r h LYS 249 CO -0.02 0.47 0.31 -0.09 -0.57 0.00 0.00 179.45 179.55 1n4r h ARG 250 N 0.73 0.72 -0.51 3.15 9.65 -0.85 -0.45 114.38 126.80 1n4r h ARG 250 Ca 0.35 -0.07 -0.01 0.00 -1.10 0.00 0.00 59.98 59.15 1n4r h ARG 250 Cb 0.28 -0.15 -0.02 0.00 -1.39 0.00 0.00 29.97 28.69 1n4r h ARG 250 CO -0.22 0.53 0.27 2.35 2.80 0.00 0.00 179.97 185.70 1n4r h TRP 251 N 0.70 0.72 0.22 2.20 7.01 -0.26 -2.44 115.95 124.11 1n4r h TRP 251 Ca 0.19 -0.02 -0.01 0.00 2.11 0.00 0.00 58.89 61.15 1n4r h TRP 251 Cb -0.00 -0.23 0.00 0.00 -2.10 0.00 0.00 29.16 26.83 1n4r h TRP 251 CO -0.02 0.54 -0.11 0.00 -2.79 0.00 0.00 178.44 176.06 1n4r h ILE 253 N -0.55 0.00 0.00 0.00 2.10 -1.09 0.30 117.51 118.28 1n4r h ILE 253 Ca -0.03 -0.15 0.00 0.00 1.08 0.00 0.00 64.86 65.76 1n4r h ILE 253 Cb 0.40 0.89 0.00 0.00 -1.09 0.00 0.00 36.82 37.02 1n4r h ILE 253 CO 0.05 0.00 0.00 0.23 -1.08 0.00 0.00 178.15 177.35 1n4r n MET 254 N -2.55 0.35 0.20 2.19 2.81 -0.92 -3.27 117.12 115.92 1n4r n MET 254 Ca -0.00 0.02 0.13 0.00 -1.81 0.00 0.00 57.70 56.04 1n4r n MET 254 Cb 0.14 -1.50 0.38 0.00 -0.71 0.00 0.00 33.22 31.53 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 -6.33 0.03 2.47 -0.99 -3.45 114.38 106.11 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 0.30 0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 28.59 1n4r h ARG 255 CO 0.00 0.00 0.50 -1.14 0.56 0.00 0.00 179.97 179.89 1n4r s GLN 256 N -3.30 4.47 -0.09 0.04 0.74 -1.20 -2.56 119.66 117.75 1n4r s GLN 256 Ca 0.06 1.43 0.03 0.00 0.05 0.00 0.00 55.36 56.93 1n4r s GLN 256 Cb 0.08 -3.51 -0.07 0.00 1.10 0.00 0.00 33.01 30.61 1n4r s GLN 256 CO 0.59 -0.22 -0.05 1.04 -0.55 0.00 0.00 175.29 176.10 1n4r n GLN 257 N 4.56 1.01 0.07 1.67 1.13 -1.26 -4.96 117.38 119.60 1n4r n GLN 257 Ca 0.08 0.04 0.00 0.00 -1.94 0.00 0.00 57.00 55.18 1n4r n GLN 257 Cb 0.49 -1.20 0.00 0.00 0.11 0.00 0.00 30.24 29.65 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 -1.20 -0.47 1.08 0.23 -1.26 -5.07 115.26 105.94 1n4r n ASN 258 Ca -0.16 0.46 0.00 0.00 -0.53 0.00 0.00 54.58 54.35 1n4r n ASN 258 Cb 0.71 1.38 0.00 0.00 -2.08 0.00 0.00 39.78 39.78 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 -1.30 1.65 3.18 4.83 0.00 -1.26 -2.23 105.19 110.06 1n4r n GLY 259 Ca 0.00 -1.89 -0.23 0.00 0.00 0.00 0.00 46.02 43.90 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 2.20 1.46 0.33 1.61 1.51 -1.26 -4.41 117.35 118.79 1n4r s TYR 260 Ca 0.00 -0.34 0.08 0.00 -1.01 0.00 0.00 57.07 55.80 1n4r s TYR 260 Cb 0.00 -0.88 -0.03 0.00 -0.11 0.00 0.00 41.96 40.93 1n4r s TYR 260 CO 0.00 0.04 0.23 -3.38 -1.11 0.00 0.00 175.55 171.33 1n4r s HIS 261 N -0.72 2.83 -0.92 2.71 -3.43 -1.06 -0.76 115.29 113.94 1n4r s HIS 261 Ca 0.05 -0.33 0.24 0.00 -0.80 0.00 0.00 55.06 54.21 1n4r s HIS 261 Cb -0.08 -1.72 0.24 0.00 -1.43 0.00 0.00 32.58 29.60 1n4r s HIS 261 CO 0.01 0.26 1.22 0.41 -2.00 0.00 0.00 174.74 174.64 1n4r n GLY 262 N -1.27 -1.19 3.35 -1.38 0.00 -1.26 -4.85 105.19 98.59 1n4r n GLY 262 Ca -0.03 -0.42 -0.15 0.00 0.00 0.00 0.00 46.02 45.43 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 -3.04 0.82 0.43 1.61 0.52 -1.26 -0.06 118.95 117.97 1n4r s ARG 263 Ca 0.09 -0.01 -0.24 0.00 -0.52 0.00 0.00 55.73 55.05 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 -0.24 1.01 -2.30 0.02 0.00 0.00 175.30 174.55 1n4r n PRO 264 N 1.14 1.33 -2.46 3.54 -0.02 -1.26 -2.41 135.00 134.87 1n4r n PRO 264 Ca -0.21 0.48 -0.21 0.00 -2.02 0.00 0.00 63.50 61.55 1n4r n PRO 264 Cb 0.56 -2.04 -0.00 0.00 -0.02 0.00 0.00 33.50 32.00 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 0.47 -5.85 -4.25 2.55 5.03 -1.26 -5.01 115.26 106.94 1n4r n ASN 265 Ca 0.09 -0.05 -0.25 0.00 0.87 0.00 0.00 54.58 55.25 1n4r n ASN 265 Cb 0.39 -4.84 -0.14 0.00 -1.02 0.00 0.00 39.78 34.17 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 1.31 0.59 3.52 -0.14 -1.01 -5.13 119.74 113.78 1n4r s LYS 266 Ca 0.04 -0.96 -0.20 0.00 -1.36 0.00 0.00 55.97 53.49 1n4r s LYS 266 Cb -0.02 -1.44 -0.03 0.00 -1.68 0.00 0.00 37.83 34.66 1n4r s LYS 266 CO 0.04 0.36 1.27 -1.25 -0.76 0.00 0.00 175.35 175.02 1n4r s PRO 267 N -1.29 2.95 0.84 -1.68 0.04 -1.26 -4.74 135.00 129.86 1n4r s PRO 267 Ca 0.07 2.01 -0.10 0.00 0.04 0.00 0.00 61.00 63.02 1n4r s PRO 267 Cb -0.09 -2.03 0.10 0.00 0.04 0.00 0.00 34.50 32.52 1n4r s PRO 267 CO 0.02 -1.27 1.11 0.14 0.04 0.00 0.00 177.00 177.04 1n4r s VAL 268 N -1.44 2.79 -0.15 -0.36 -7.23 -1.26 -4.63 120.40 108.11 1n4r s VAL 268 Ca 0.76 0.26 -0.07 0.00 -1.81 0.00 0.00 61.98 61.12 1n4r s VAL 268 Cb -0.35 -2.55 0.06 0.00 0.56 0.00 0.00 36.38 34.10 1n4r s VAL 268 CO 0.39 -0.33 0.33 -0.62 -0.31 0.00 0.00 175.10 174.56 1n4r s ASP 269 N -3.10 -0.23 0.28 4.85 -1.08 0.06 -4.85 116.67 112.62 1n4r s ASP 269 Ca 0.64 0.73 -0.05 0.00 -0.52 0.00 0.00 52.55 53.35 1n4r s ASP 269 Cb -0.19 0.73 0.54 0.00 -1.46 0.00 0.00 42.92 42.54 1n4r s ASP 269 CO 0.57 -0.20 1.54 0.41 0.52 0.00 0.00 175.17 178.01 1n4r n THR 270 N 4.64 -0.41 0.33 1.71 -1.04 -0.96 -0.74 114.28 117.80 1n4r n THR 270 Ca -0.18 2.23 0.21 0.00 -2.04 0.00 0.00 64.05 64.27 1n4r n THR 270 Cb 0.53 -3.14 1.13 0.00 -1.82 0.00 0.00 70.33 67.03 1n4r n THR 270 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1n4r h TYR 272 N 0.00 0.00 0.00 0.00 0.05 -1.17 -1.87 116.97 113.97 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 0.07 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 -0.03 0.77 -1.05 0.00 0.00 178.16 177.85 1n4r h SER 273 N 0.00 0.00 0.00 3.88 0.02 -1.16 0.94 113.55 117.23 1n4r h SER 273 Ca 0.00 0.00 -0.19 0.00 -0.84 0.00 0.00 61.79 60.76 1n4r h SER 273 Cb 0.52 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.03 1n4r h SER 273 CO 0.00 0.03 -1.50 0.33 -1.14 0.00 0.00 176.83 174.56 1n4r n PHE 274 N -3.52 0.28 -0.20 3.45 7.35 -0.75 -3.02 117.46 121.05 1n4r n PHE 274 Ca -0.02 0.12 -0.08 0.00 -0.76 0.00 0.00 57.45 56.71 1n4r n PHE 274 Cb 0.14 -0.79 -0.03 0.00 0.35 0.00 0.00 39.48 39.14 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 -1.21 0.08 -5.13 -0.00 -1.31 0.79 115.95 108.17 1n4r h TRP 275 Ca -0.29 0.08 -0.12 0.00 -0.00 0.00 0.00 58.89 58.56 1n4r h TRP 275 Cb 1.18 0.61 0.01 0.00 -0.00 0.00 0.00 29.16 30.96 1n4r h TRP 275 CO -0.21 -0.42 -0.52 0.28 -0.00 0.00 0.00 178.44 177.58 1n4r h VAL 276 N -0.22 1.60 -0.48 1.49 2.07 -1.05 -3.17 116.25 116.49 1n4r h VAL 276 Ca 0.19 -2.42 0.08 0.00 0.82 0.00 0.00 66.70 65.37 1n4r h VAL 276 Cb 0.56 3.20 -0.07 0.00 -1.52 0.00 0.00 31.29 33.47 1n4r h VAL 276 CO -0.68 0.67 0.09 1.23 0.02 0.00 0.00 177.57 178.90 1n4r h GLY 277 N -0.56 0.57 1.65 2.17 0.00 -1.41 0.36 103.07 105.86 1n4r h GLY 277 Ca -0.09 -0.02 -0.02 0.00 0.00 0.00 0.00 47.33 47.20 1n4r h GLY 277 CO 0.10 -0.06 0.11 0.00 0.00 0.00 0.00 176.54 176.69 1n4r h ALA 278 N 1.37 1.59 -0.17 3.60 0.00 0.48 0.22 119.26 126.36 1n4r h ALA 278 Ca 0.24 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 55.00 1n4r h ALA 278 Cb 0.31 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1n4r h ALA 278 CO -0.31 0.32 -0.05 1.15 0.00 0.00 0.00 179.25 180.36 1n4r h THR 279 N 0.46 1.29 -0.98 0.00 2.02 -1.11 -0.39 112.91 114.20 1n4r h THR 279 Ca 0.11 -1.02 0.03 0.00 0.77 0.00 0.00 66.41 66.31 1n4r h THR 279 Cb 0.12 1.61 -0.06 0.00 -1.74 0.00 0.00 68.15 68.08 1n4r h THR 279 CO -0.01 0.30 0.64 -0.07 0.37 0.00 0.00 175.52 176.76 1n4r h LEU 280 N 0.05 1.07 -0.44 2.58 3.38 -0.38 0.03 115.31 121.60 1n4r h LEU 280 Ca 0.04 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 1n4r h LEU 280 Cb 0.49 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 1n4r h LEU 280 CO 0.02 0.74 0.19 0.50 0.09 0.00 0.00 178.44 179.98 1n4r h LYS 281 N 1.25 0.65 0.00 1.13 1.63 -0.71 -1.09 116.57 119.43 1n4r h LYS 281 Ca 0.39 -0.11 -0.03 0.00 -0.85 0.00 0.00 60.65 60.04 1n4r h LYS 281 Cb -0.02 -0.11 -0.00 0.00 -0.60 0.00 0.00 32.23 31.49 1n4r h LYS 281 CO -0.12 0.58 -0.17 -0.07 -3.45 0.00 0.00 179.45 176.23 1n4r h LEU 282 N 0.57 0.00 -1.06 5.20 3.38 -0.09 -0.70 115.31 122.61 1n4r h LEU 282 Ca 0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.12 1n4r h LEU 282 Cb 0.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.91 1n4r h LEU 282 CO -0.02 0.17 0.00 0.18 0.09 0.00 0.00 178.44 178.86 1n4r n LEU 283 N -4.13 1.58 -1.95 1.67 4.77 -0.10 -4.94 117.00 113.91 1n4r n LEU 283 Ca -0.02 -0.67 -0.18 0.00 -0.03 0.00 0.00 56.01 55.11 1n4r n LEU 283 Cb 0.24 -0.11 -0.02 0.00 -2.33 0.00 0.00 43.42 41.20 1n4r n LEU 283 CO 0.35 0.34 -0.22 0.29 -1.33 0.00 0.00 177.39 176.81 1n4r n LYS 284 N 0.27 -1.40 -0.15 3.23 5.02 -0.27 -4.88 118.16 119.97 1n4r n LYS 284 Ca 0.16 0.91 0.02 0.00 -2.02 0.00 0.00 58.31 57.38 1n4r n LYS 284 Cb 0.31 -5.37 0.03 0.00 -0.02 0.00 0.00 35.03 29.98 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 -3.79 0.63 0.08 -0.18 -5.35 -0.57 -4.73 119.36 105.45 1n4r n ILE 285 Ca -0.21 -0.71 0.02 0.00 -0.27 0.00 0.00 62.75 61.58 1n4r n ILE 285 Cb 0.65 0.48 0.38 0.00 -1.74 0.00 0.00 39.64 39.41 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 0.35 -0.10 4.28 3.57 -1.81 -1.74 116.94 121.48 1n4r h PHE 286 Ca 0.00 -0.03 0.03 0.00 3.53 0.00 0.00 57.97 61.50 1n4r h PHE 286 Cb 1.00 -0.10 -0.00 0.00 2.79 0.00 0.00 35.95 39.63 1n4r h PHE 286 CO 0.03 0.39 0.22 -0.56 -2.23 0.00 0.00 178.31 176.16 1n4r h GLN 287 N 0.33 0.00 -0.17 1.11 3.07 -1.89 -0.60 115.11 116.97 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 0.29 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.85 1n4r h GLN 287 CO 0.01 0.00 0.00 0.66 0.09 0.00 0.00 178.83 179.59 1n4r n TYR 288 N -3.34 0.20 -2.17 0.06 0.53 -0.65 -4.92 117.16 106.86 1n4r n TYR 288 Ca -0.00 -0.10 -0.26 0.00 -1.02 0.00 0.00 57.90 56.52 1n4r n TYR 288 Cb 0.31 0.00 0.07 0.00 -1.03 0.00 0.00 39.34 38.69 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 -1.80 2.30 -0.44 -0.72 -4.23 -0.23 -5.02 115.64 105.49 1n4r s THR 289 Ca 0.34 -0.23 -0.23 0.00 -1.18 0.00 0.00 61.69 60.39 1n4r s THR 289 Cb 0.19 -3.02 0.02 0.00 1.34 0.00 0.00 72.50 71.04 1n4r s THR 289 CO 0.29 -0.02 0.80 0.21 -0.54 0.00 0.00 174.62 175.37 1n4r s ASN 290 N -4.52 6.44 -0.01 3.99 3.84 -1.26 -4.95 114.94 118.47 1n4r s ASN 290 Ca 0.60 -0.03 -0.25 0.00 0.21 0.00 0.00 52.86 53.39 1n4r s ASN 290 Cb -0.11 -2.40 -0.19 0.00 -0.55 0.00 0.00 41.25 38.01 1n4r s ASN 290 CO 0.45 -0.92 1.28 -0.26 -2.79 0.00 0.00 177.10 174.87 1n4r h PHE 291 N 8.95 0.10 -0.08 0.43 0.05 -1.95 -3.26 116.94 121.18 1n4r h PHE 291 Ca -0.25 -0.03 0.04 0.00 3.82 0.00 0.00 57.97 61.55 1n4r h PHE 291 Cb 1.08 -0.02 -0.05 0.00 2.00 0.00 0.00 35.95 38.97 1n4r h PHE 291 CO 0.81 0.55 -0.19 1.49 -0.18 0.00 0.00 178.31 180.78 1n4r h GLU 292 N -0.38 -0.25 -0.35 1.51 4.57 -1.97 0.50 114.58 118.20 1n4r h GLU 292 Ca 0.01 0.02 -0.03 0.00 -1.18 0.00 0.00 59.36 58.18 1n4r h GLU 292 Cb 0.53 0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 29.16 1n4r h GLU 292 CO 0.01 -0.17 0.10 0.87 -1.18 0.00 0.00 179.01 178.64 1n4r h LYS 293 N -0.26 0.50 0.21 1.92 1.57 -1.85 0.25 116.57 118.91 1n4r h LYS 293 Ca 0.08 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.78 1n4r h LYS 293 Cb 0.38 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.60 1n4r h LYS 293 CO -0.24 0.46 -0.10 -0.97 -0.57 0.00 0.00 179.45 178.03 1n4r h ASN 294 N 0.50 -0.24 -0.79 0.86 -1.24 -1.05 -1.61 115.58 112.01 1n4r h ASN 294 Ca 0.12 -0.28 0.07 0.00 0.71 0.00 0.00 56.30 56.93 1n4r h ASN 294 Cb 0.17 0.06 -0.06 0.00 0.73 0.00 0.00 38.32 39.22 1n4r h ASN 294 CO -0.01 0.20 0.46 -0.09 -1.29 0.00 0.00 177.43 176.70 1n4r h ARG 295 N -0.74 0.79 -0.39 6.67 2.43 -0.66 -0.94 114.38 121.54 1n4r h ARG 295 Ca -0.03 -0.05 0.02 0.00 -0.81 0.00 0.00 59.98 59.11 1n4r h ARG 295 Cb 0.50 -0.18 -0.03 0.00 -0.42 0.00 0.00 29.97 29.85 1n4r h ARG 295 CO 0.05 0.52 0.23 -0.97 -1.51 0.00 0.00 179.97 178.29 1n4r h ASN 296 N 0.81 0.37 0.24 -3.80 -1.24 -0.46 -1.94 115.58 109.56 1n4r h ASN 296 Ca 0.36 0.00 -0.01 0.00 0.71 0.00 0.00 56.30 57.36 1n4r h ASN 296 Cb 0.26 -0.08 0.00 0.00 0.73 0.00 0.00 38.32 39.23 1n4r h ASN 296 CO -0.21 0.27 -0.12 0.22 -1.29 0.00 0.00 177.43 176.31 1n4r h TYR 297 N 0.46 -0.30 -0.49 0.67 3.20 -0.51 -1.57 116.97 118.43 1n4r h TYR 297 Ca 0.15 -0.01 0.10 0.00 3.14 0.00 0.00 58.73 62.11 1n4r h TYR 297 Cb 0.00 0.10 -0.10 0.00 1.54 0.00 0.00 36.73 38.27 1n4r h TYR 297 CO -0.07 -0.09 -0.19 0.82 -1.64 0.00 0.00 178.16 176.98 1n4r h ILE 298 N -0.45 0.39 -0.06 1.81 2.04 -1.09 -0.16 117.51 119.98 1n4r h ILE 298 Ca -0.03 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.78 1n4r h ILE 298 Cb 0.34 0.39 -0.01 0.00 -0.74 0.00 0.00 36.82 36.80 1n4r h ILE 298 CO 0.05 0.00 -0.18 -0.07 0.00 0.00 0.00 178.15 177.96 1n4r h LEU 299 N -0.08 0.09 -0.43 1.44 3.38 -1.28 -2.14 115.31 116.29 1n4r h LEU 299 Ca 0.23 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.18 1n4r h LEU 299 Cb 0.44 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.17 1n4r h LEU 299 CO -0.55 0.28 0.00 -1.54 0.09 0.00 0.00 178.44 176.72 1n4r n SER 300 N -4.29 0.27 -0.98 -0.43 3.41 -0.08 -1.36 113.62 110.16 1n4r n SER 300 Ca -0.02 0.59 0.09 0.00 -0.26 0.00 0.00 58.87 59.27 1n4r n SER 300 Cb 0.27 -0.64 0.22 0.00 -0.26 0.00 0.00 64.21 63.80 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 -1.82 0.83 -2.46 6.66 -2.24 -0.81 -4.25 114.28 110.19 1n4r n THR 301 Ca 0.02 -0.92 -0.41 0.00 -2.27 0.00 0.00 64.05 60.47 1n4r n THR 301 Cb 0.12 0.65 -0.04 0.00 -2.10 0.00 0.00 70.33 68.96 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 -1.08 4.56 -0.58 -0.78 0.74 -0.46 -1.11 119.66 120.94 1n4r s GLN 302 Ca 0.35 1.78 -0.20 0.00 0.05 0.00 0.00 55.36 57.33 1n4r s GLN 302 Cb 0.19 -3.26 0.08 0.00 1.10 0.00 0.00 33.01 31.12 1n4r s GLN 302 CO 0.25 0.02 0.74 0.34 -0.55 0.00 0.00 175.29 176.09 1n4r s ASP 303 N -0.05 6.20 0.42 6.67 -1.08 -0.33 -4.90 116.67 123.60 1n4r s ASP 303 Ca 0.50 -1.16 0.29 0.00 -0.52 0.00 0.00 52.55 51.67 1n4r s ASP 303 Cb -0.31 -2.33 1.43 0.00 -1.46 0.00 0.00 42.92 40.25 1n4r s ASP 303 CO 0.36 -1.12 1.89 0.08 0.52 0.00 0.00 175.17 176.89 1n4r h ARG 304 N 9.21 0.00 0.00 4.34 -0.00 -1.89 0.17 114.38 126.22 1n4r h ARG 304 Ca -0.29 0.00 -0.03 0.00 -0.00 0.00 0.00 59.98 59.67 1n4r h ARG 304 Cb 1.09 0.00 -0.00 0.00 -0.00 0.00 0.00 29.97 31.05 1n4r h ARG 304 CO 1.08 0.00 -0.60 -0.11 -0.00 0.00 0.00 179.97 180.34 1n4r n LEU 305 N -2.58 1.81 0.01 0.08 -0.00 -1.26 -4.66 117.00 110.40 1n4r n LEU 305 Ca -0.00 0.61 0.11 0.00 -0.00 0.00 0.00 56.01 56.73 1n4r n LEU 305 Cb 0.15 -0.88 -0.07 0.00 -0.00 0.00 0.00 43.42 42.62 1n4r n LEU 305 CO 0.18 -0.39 -0.19 0.55 -0.00 0.00 0.00 177.39 177.53 1n4r n VAL 306 N -4.59 0.07 0.00 1.96 3.14 -1.24 -5.10 118.33 112.57 1n4r n VAL 306 Ca -0.10 -0.22 0.00 0.00 -2.96 0.00 0.00 64.34 61.06 1n4r n VAL 306 Cb 0.31 0.41 0.00 0.00 -1.06 0.00 0.00 33.84 33.50 1n4r n VAL 306 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1n4r n GLY 307 N 1.39 0.09 0.32 7.55 0.00 0.60 -4.49 105.19 110.65 1n4r n GLY 307 Ca 0.01 -1.96 0.04 0.00 0.00 0.00 0.00 46.02 44.12 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 -0.05 -1.66 3.39 -0.02 0.00 -1.26 -4.32 105.19 101.27 1n4r n GLY 308 Ca 0.00 -1.44 -0.21 0.00 0.00 0.00 0.00 46.02 44.37 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 1.95 0.50 1.61 0.40 -1.26 -1.19 117.98 118.36 1n4r s PHE 309 Ca 0.00 -0.46 0.03 0.00 -0.60 0.00 0.00 56.93 55.90 1n4r s PHE 309 Cb 0.00 -0.89 -0.01 0.00 0.51 0.00 0.00 43.02 42.63 1n4r s PHE 309 CO 0.00 0.49 0.11 0.00 0.70 0.00 0.00 175.22 176.52 1n4r s ALA 310 N -2.64 4.07 0.12 5.36 0.00 -0.27 -2.69 121.76 125.70 1n4r s ALA 310 Ca 0.24 -0.90 -0.09 0.00 0.00 0.00 0.00 51.96 51.21 1n4r s ALA 310 Cb -0.03 -0.18 -0.11 0.00 0.00 0.00 0.00 23.12 22.80 1n4r s ALA 310 CO 0.10 -0.14 1.31 1.57 0.00 0.00 0.00 175.76 178.60 1n4r h LYS 311 N 1.25 0.65 -5.36 0.00 2.10 -1.88 -3.41 116.57 109.92 1n4r h LYS 311 Ca -0.42 -0.58 -0.42 0.00 -2.00 0.00 0.00 60.65 57.23 1n4r h LYS 311 Cb 1.30 0.13 -0.14 0.00 -0.90 0.00 0.00 32.23 32.62 1n4r h LYS 311 CO 0.70 1.19 -0.70 -1.58 -2.00 0.00 0.00 179.45 177.06 1n4r s TRP 312 N -3.58 1.65 0.52 0.07 0.51 -1.26 -2.26 118.94 114.58 1n4r s TRP 312 Ca -0.09 -0.71 -0.22 0.00 -2.12 0.00 0.00 56.10 52.97 1n4r s TRP 312 Cb 0.09 -0.86 -0.06 0.00 -0.81 0.00 0.00 33.47 31.83 1n4r s TRP 312 CO 0.89 0.21 1.26 -1.25 -0.51 0.00 0.00 176.95 177.55 1n4r s PRO 313 N -3.73 3.36 -1.33 4.98 0.04 -1.26 -2.95 135.00 134.12 1n4r s PRO 313 Ca 0.24 2.00 -0.07 0.00 0.04 0.00 0.00 61.00 63.21 1n4r s PRO 313 Cb 0.02 -2.27 0.01 0.00 0.04 0.00 0.00 34.50 32.30 1n4r s PRO 313 CO 0.07 -0.94 1.15 -0.40 0.04 0.00 0.00 177.00 176.92 1n4r n ASP 314 N -0.89 -5.55 -4.29 6.66 5.68 -1.26 -5.01 116.55 111.89 1n4r n ASP 314 Ca 0.10 -0.55 -0.18 0.00 -0.50 0.00 0.00 54.79 53.65 1n4r n ASP 314 Cb 0.47 -5.05 -0.10 0.00 -1.14 0.00 0.00 41.12 35.30 1n4r n ASP 314 CO 0.00 0.00 0.00 -0.55 -1.33 0.00 0.00 177.20 175.32 1n4r s SER 315 N -3.52 2.26 0.05 -1.12 0.15 -1.15 -5.12 113.70 105.25 1n4r s SER 315 Ca 0.47 -0.94 -0.31 0.00 0.70 0.00 0.00 55.95 55.87 1n4r s SER 315 Cb -0.21 -0.09 -0.06 0.00 -1.71 0.00 0.00 66.02 63.95 1n4r s SER 315 CO 0.73 -0.18 1.31 -1.38 1.20 0.00 0.00 173.24 174.92 1n4r s HIS 316 N -2.72 3.18 0.62 3.44 0.00 -1.26 -4.66 115.29 113.88 1n4r s HIS 316 Ca 0.17 1.05 -0.15 0.00 -3.00 0.00 0.00 55.06 53.13 1n4r s HIS 316 Cb -0.02 -3.57 -0.03 0.00 -4.00 0.00 0.00 32.58 24.97 1n4r s HIS 316 CO 0.04 -1.95 1.06 -1.25 -1.00 0.00 0.00 174.74 171.64 1n4r s PRO 317 N 1.59 3.21 0.18 -0.38 0.04 -1.26 -4.64 135.00 133.72 1n4r s PRO 317 Ca 0.62 1.17 -0.10 0.00 0.04 0.00 0.00 61.00 62.73 1n4r s PRO 317 Cb -0.32 -2.02 -0.01 0.00 0.04 0.00 0.00 34.50 32.20 1n4r s PRO 317 CO 0.28 -0.90 0.32 0.16 0.04 0.00 0.00 177.00 176.90 1n4r s ASP 318 N -2.95 0.00 0.21 6.66 1.47 -1.10 -4.97 116.67 116.00 1n4r s ASP 318 Ca 0.63 -0.85 -0.09 0.00 1.18 0.00 0.00 52.55 53.42 1n4r s ASP 318 Cb -0.16 0.46 0.28 0.00 -0.34 0.00 0.00 42.92 43.16 1n4r s ASP 318 CO 0.40 -0.93 1.77 0.00 0.68 0.00 0.00 175.17 177.09 1n4r h ALA 319 N 2.48 0.86 0.09 2.11 0.00 -1.97 -1.42 119.26 121.41 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 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 1n4r h ALA 319 CO 0.46 -0.09 -0.11 1.25 0.00 0.00 0.00 179.25 180.76 1n4r h LEU 320 N 0.53 -0.30 -0.92 0.00 6.46 -1.96 -0.53 115.31 118.60 1n4r h LEU 320 Ca 0.31 0.03 -0.11 0.00 -0.12 0.00 0.00 57.88 57.99 1n4r h LEU 320 Cb 0.32 0.11 -0.01 0.00 -0.73 0.00 0.00 40.66 40.34 1n4r h LEU 320 CO -0.26 -0.17 -0.51 0.45 -0.62 0.00 0.00 178.44 177.34 1n4r h HIS 321 N -0.23 0.09 -0.16 1.25 3.86 -1.76 -1.23 115.15 116.97 1n4r h HIS 321 Ca 0.01 -0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.18 1n4r h HIS 321 Cb 0.24 -0.02 -0.01 0.00 1.06 0.00 0.00 27.41 28.68 1n4r h HIS 321 CO -0.13 0.57 0.05 0.00 0.86 0.00 0.00 177.93 179.28 1n4r h ALA 322 N 1.42 0.21 -0.09 2.45 0.00 -1.03 0.24 119.26 122.47 1n4r h ALA 322 Ca -0.00 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 1n4r h ALA 322 Cb 0.92 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.64 1n4r h ALA 322 CO 0.07 -0.16 0.00 -0.92 0.00 0.00 0.00 179.25 178.24 1n4r h TYR 323 N 0.08 0.17 0.00 0.00 3.20 -0.96 -2.42 116.97 117.04 1n4r h TYR 323 Ca 0.05 -0.03 -0.11 0.00 3.14 0.00 0.00 58.73 61.79 1n4r h TYR 323 Cb 0.24 -0.04 -0.02 0.00 1.54 0.00 0.00 36.73 38.45 1n4r h TYR 323 CO 0.00 0.41 -0.50 0.74 -1.64 0.00 0.00 178.16 177.18 1n4r h PHE 324 N -0.12 0.00 -0.58 -3.82 -1.00 -1.22 -0.63 116.94 109.57 1n4r h PHE 324 Ca 0.02 0.00 -0.11 0.00 2.81 0.00 0.00 57.97 60.70 1n4r h PHE 324 Cb 0.35 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.89 1n4r h PHE 324 CO 0.03 0.50 -0.05 0.78 -1.61 0.00 0.00 178.31 177.96 1n4r h GLY 325 N 1.84 1.15 0.98 -1.45 0.00 -0.50 0.17 103.07 105.26 1n4r h GLY 325 Ca -0.01 -0.88 -0.09 0.00 0.00 0.00 0.00 47.33 46.35 1n4r h GLY 325 CO 0.07 0.81 -0.13 -2.22 0.00 0.00 0.00 176.54 175.07 1n4r h ILE 326 N 0.95 1.28 -0.15 2.60 2.04 -1.18 -1.02 117.51 122.03 1n4r h ILE 326 Ca 0.16 -1.23 -0.05 0.00 1.00 0.00 0.00 64.86 64.73 1n4r h ILE 326 Cb 0.62 1.28 -0.01 0.00 -0.74 0.00 0.00 36.82 37.97 1n4r h ILE 326 CO 0.04 0.41 -0.15 0.00 0.00 0.00 0.00 178.15 178.45 1n4r h GLY 328 N 0.78 0.51 1.01 0.00 0.00 -0.21 -2.42 103.07 102.74 1n4r h GLY 328 Ca 0.04 -0.33 -0.01 0.00 0.00 0.00 0.00 47.33 47.04 1n4r h GLY 328 CO 0.02 0.30 0.48 1.41 0.00 0.00 0.00 176.54 178.76 1n4r h LEU 329 N 0.30 0.97 -1.53 3.11 4.07 -0.65 -2.71 115.31 118.89 1n4r h LEU 329 Ca 0.09 -0.07 0.07 0.00 0.08 0.00 0.00 57.88 58.05 1n4r h LEU 329 Cb 0.31 -0.25 -0.04 0.00 1.08 0.00 0.00 40.66 41.76 1n4r h LEU 329 CO 0.00 0.76 0.41 -1.28 -1.08 0.00 0.00 178.44 177.24 1n4r h SER 330 N 1.11 0.50 -0.16 -0.43 0.87 -0.59 -1.90 113.55 112.95 1n4r h SER 330 Ca 0.29 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.85 1n4r h SER 330 Cb -0.03 -0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 61.81 1n4r h SER 330 CO -0.05 0.33 0.10 -0.07 -0.53 0.00 0.00 176.83 176.61 1n4r h LEU 331 N 0.57 0.20 -0.98 2.23 -0.00 -1.10 -0.50 115.31 115.73 1n4r h LEU 331 Ca 0.27 -0.01 0.00 0.00 -0.00 0.00 0.00 57.88 58.14 1n4r h LEU 331 Cb 0.31 -0.05 0.00 0.00 -0.00 0.00 0.00 40.66 40.92 1n4r h LEU 331 CO -0.08 0.15 -0.23 0.23 -0.00 0.00 0.00 178.44 178.52 1n4r n MET 332 N -4.50 1.37 -2.21 1.13 2.81 -0.77 -5.03 117.12 109.91 1n4r n MET 332 Ca -0.00 -0.98 -0.02 0.00 -1.81 0.00 0.00 57.70 54.88 1n4r n MET 332 Cb 0.08 -1.48 -0.02 0.00 -0.71 0.00 0.00 33.22 31.09 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 0.04 -3.86 -4.32 0.03 1.02 -0.20 -5.05 120.64 108.30 1n4r n GLU 333 Ca 0.13 2.96 -0.27 0.00 -0.02 0.00 0.00 57.16 59.96 1n4r n GLU 333 Cb 0.43 -4.02 -0.10 0.00 -0.02 0.00 0.00 31.44 27.73 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 -0.83 1.93 -0.39 3.49 2.56 -1.24 -4.96 118.70 119.25 1n4r s GLU 334 Ca -0.12 -1.34 -0.39 0.00 0.00 0.00 0.00 54.97 53.12 1n4r s GLU 334 Cb 0.01 -2.08 -0.15 0.00 2.00 0.00 0.00 34.13 33.91 1n4r s GLU 334 CO 0.32 0.42 2.08 0.45 -0.56 0.00 0.00 175.26 177.97 1n4r n SER 335 N 0.07 1.67 -2.75 -1.70 2.88 -1.26 -2.29 113.62 110.23 1n4r n SER 335 Ca -0.11 0.64 -0.13 0.00 -1.33 0.00 0.00 58.87 57.94 1n4r n SER 335 Cb 0.56 -1.10 0.06 0.00 -0.75 0.00 0.00 64.21 62.98 1n4r n SER 335 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1n4r n GLY 336 N 6.39 -0.14 2.59 0.46 0.00 -1.26 -5.03 105.19 108.20 1n4r n GLY 336 Ca 0.43 -0.05 -0.28 0.00 0.00 0.00 0.00 46.02 46.12 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 -3.25 0.08 0.54 -0.61 1.01 -0.97 -4.79 121.20 113.21 1n4r s ILE 337 Ca 0.08 -0.69 -0.18 0.00 0.00 0.00 0.00 60.65 59.86 1n4r s ILE 337 Cb -0.04 -0.97 -0.14 0.00 0.01 0.00 0.00 42.46 41.32 1n4r s ILE 337 CO 0.53 -0.59 -0.03 0.00 0.00 0.00 0.00 174.94 174.85 1n4r s LYS 339 N -1.28 4.28 0.02 0.00 -0.14 -1.26 -4.84 119.74 116.51 1n4r s LYS 339 Ca 0.58 1.82 -0.00 0.00 -1.36 0.00 0.00 55.97 57.01 1n4r s LYS 339 Cb -0.47 -2.85 -0.04 0.00 -1.68 0.00 0.00 37.83 32.79 1n4r s LYS 339 CO 0.65 -0.12 0.13 0.54 -0.76 0.00 0.00 175.35 175.79 1n4r s VAL 340 N -1.34 5.02 -0.77 3.17 0.11 -1.26 -1.49 120.40 123.83 1n4r s VAL 340 Ca 0.53 -0.40 -0.21 0.00 -2.93 0.00 0.00 61.98 58.97 1n4r s VAL 340 Cb -0.31 -3.36 0.10 0.00 -1.53 0.00 0.00 36.38 31.27 1n4r s VAL 340 CO 0.39 0.26 1.03 -2.28 -3.33 0.00 0.00 175.10 171.17 1n4r s HIS 341 N -1.33 2.86 0.48 1.54 2.46 0.24 -4.77 115.29 116.78 1n4r s HIS 341 Ca 0.28 -0.91 0.38 0.00 0.47 0.00 0.00 55.06 55.27 1n4r s HIS 341 Cb -0.12 -4.28 1.57 0.00 -0.13 0.00 0.00 32.58 29.61 1n4r s HIS 341 CO 0.19 -1.57 1.58 -1.00 -2.47 0.00 0.00 174.74 171.48 1n4r h PRO 342 N 9.26 0.01 0.00 2.88 0.13 -1.92 0.06 132.00 142.42 1n4r h PRO 342 Ca -0.10 -0.00 -0.23 0.00 -0.87 0.00 0.00 66.00 64.80 1n4r h PRO 342 Cb 1.05 -0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.14 1n4r h PRO 342 CO 1.16 0.01 -1.76 0.00 -0.23 0.00 0.00 178.00 177.17 1n4r n ALA 343 N -2.65 1.82 0.20 -0.56 0.00 -1.26 -4.29 120.51 113.76 1n4r n ALA 343 Ca 0.41 -0.78 0.11 0.00 0.00 0.00 0.00 53.44 53.19 1n4r n ALA 343 Cb 1.70 -0.73 -0.05 0.00 0.00 0.00 0.00 19.45 20.36 1n4r n ALA 343 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1n4r n LEU 344 N -2.83 0.51 -1.96 0.00 7.94 -0.77 -4.88 117.00 115.01 1n4r n LEU 344 Ca -0.16 0.12 -0.15 0.00 -1.11 0.00 0.00 56.01 54.71 1n4r n LEU 344 Cb 0.94 -0.05 0.01 0.00 0.53 0.00 0.00 43.42 44.85 1n4r n LEU 344 CO 0.44 -0.06 -0.07 -3.20 -1.11 0.00 0.00 177.39 173.39 1n4r n ASN 345 N -2.34 -4.59 -4.36 1.96 5.15 -0.06 -5.02 115.26 106.01 1n4r n ASN 345 Ca -0.01 -0.13 -0.18 0.00 -0.60 0.00 0.00 54.58 53.66 1n4r n ASN 345 Cb 0.52 -3.56 -0.10 0.00 -0.53 0.00 0.00 39.78 36.11 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 -2.88 0.85 0.65 3.44 -7.23 -1.25 -4.97 120.40 109.02 1n4r s VAL 346 Ca 0.13 -2.01 -0.16 0.00 -1.81 0.00 0.00 61.98 58.14 1n4r s VAL 346 Cb -0.06 -2.60 -0.00 0.00 0.56 0.00 0.00 36.38 34.28 1n4r s VAL 346 CO 0.16 -0.09 1.12 -0.94 -0.31 0.00 0.00 175.10 175.04 1n4r s SER 347 N -3.36 5.09 0.23 4.85 1.04 -1.26 -0.59 113.70 119.70 1n4r s SER 347 Ca 0.35 2.06 -0.07 0.00 0.48 0.00 0.00 55.95 58.76 1n4r s SER 347 Cb 0.08 -2.56 0.23 0.00 0.10 0.00 0.00 66.02 63.87 1n4r s SER 347 CO 0.13 -1.64 1.91 0.71 0.98 0.00 0.00 173.24 175.32 1n4r h THR 348 N 0.14 1.22 -0.74 2.02 1.35 -1.56 -0.29 112.91 115.05 1n4r h THR 348 Ca -0.47 -0.42 0.13 0.00 -0.55 0.00 0.00 66.41 65.10 1n4r h THR 348 Cb 1.25 -0.10 -0.09 0.00 -1.73 0.00 0.00 68.15 67.48 1n4r h THR 348 CO 0.54 0.22 0.30 -0.09 -0.25 0.00 0.00 175.52 176.25 1n4r h ARG 349 N 1.22 0.45 -0.22 4.72 2.43 -1.91 0.53 114.38 121.60 1n4r h ARG 349 Ca 0.34 -0.03 -0.06 0.00 -0.81 0.00 0.00 59.98 59.42 1n4r h ARG 349 Cb -0.12 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.32 1n4r h ARG 349 CO -0.08 0.30 -0.10 1.15 -1.51 0.00 0.00 179.97 179.73 1n4r h THR 350 N 0.47 1.30 0.00 0.20 2.02 -1.58 -2.30 112.91 113.02 1n4r h THR 350 Ca 0.40 -1.15 -0.00 0.00 0.77 0.00 0.00 66.41 66.42 1n4r h THR 350 Cb 0.57 1.60 -0.00 0.00 -1.74 0.00 0.00 68.15 68.58 1n4r h THR 350 CO -0.38 0.35 -0.01 0.77 0.37 0.00 0.00 175.52 176.62 1n4r h SER 351 N 0.16 0.00 0.74 4.18 4.64 -0.03 -1.05 113.55 122.18 1n4r h SER 351 Ca 0.05 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.34 1n4r h SER 351 Cb 0.59 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.67 1n4r h SER 351 CO 0.03 0.01 -0.45 -0.33 -0.87 0.00 0.00 176.83 175.23 1n4r h GLU 352 N 0.00 -1.07 -0.55 4.77 4.39 0.54 -0.90 114.58 121.75 1n4r h GLU 352 Ca -0.00 0.07 0.08 0.00 0.34 0.00 0.00 59.36 59.85 1n4r h GLU 352 Cb 0.03 0.24 -0.06 0.00 -0.10 0.00 0.00 28.75 28.86 1n4r h GLU 352 CO 0.00 -0.71 0.22 -0.09 -1.16 0.00 0.00 179.01 177.27 1n4r h ARG 353 N -1.11 0.40 -0.64 2.33 2.43 -0.88 0.19 114.38 117.09 1n4r h ARG 353 Ca -0.10 -0.02 0.12 0.00 -0.81 0.00 0.00 59.98 59.17 1n4r h ARG 353 Cb 0.89 -0.09 -0.04 0.00 -0.42 0.00 0.00 29.97 30.31 1n4r h ARG 353 CO 0.10 0.27 0.43 1.25 -1.51 0.00 0.00 179.97 180.51 1n4r h LEU 354 N 0.41 0.36 0.68 3.80 5.85 -1.02 0.63 115.31 126.03 1n4r h LEU 354 Ca 0.27 0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.97 1n4r h LEU 354 Cb 0.29 -0.06 0.01 0.00 0.37 0.00 0.00 40.66 41.26 1n4r h LEU 354 CO -0.26 0.21 -0.33 0.03 -0.34 0.00 0.00 178.44 177.75 1n4r h ARG 355 N 0.39 -0.89 0.25 1.25 -0.00 0.79 -0.80 114.38 115.38 1n4r h ARG 355 Ca 0.30 0.06 0.01 0.00 -0.50 0.00 0.00 59.98 59.85 1n4r h ARG 355 Cb 0.65 0.20 -0.03 0.00 0.00 0.00 0.00 29.97 30.80 1n4r h ARG 355 CO -0.09 -0.56 -0.31 -0.44 0.00 0.00 0.00 179.97 178.58 1n4r h ASP 356 N -1.12 -0.84 -1.18 7.04 3.32 -0.41 -1.42 116.42 121.81 1n4r h ASP 356 Ca -0.09 0.08 0.34 0.00 0.02 0.00 0.00 57.03 57.37 1n4r h ASP 356 Cb 0.74 0.30 -0.08 0.00 0.22 0.00 0.00 39.33 40.50 1n4r h ASP 356 CO 0.15 -0.42 0.80 0.25 -1.72 0.00 0.00 179.24 178.30 1n4r h LEU 357 N -0.61 0.22 -0.01 1.55 6.46 0.21 0.12 115.31 123.26 1n4r h LEU 357 Ca -0.00 0.05 -0.03 0.00 -0.12 0.00 0.00 57.88 57.79 1n4r h LEU 357 Cb 0.58 0.02 0.00 0.00 -0.73 0.00 0.00 40.66 40.53 1n4r h LEU 357 CO -0.10 0.01 -0.10 0.45 -0.62 0.00 0.00 178.44 178.09 1n4r h HIS 358 N 0.17 0.11 -0.92 1.25 3.86 -0.09 -2.89 115.15 116.64 1n4r h HIS 358 Ca 0.63 -0.06 -0.00 0.00 -1.16 0.00 0.00 60.37 59.78 1n4r h HIS 358 Cb 2.06 -0.02 -0.04 0.00 1.06 0.00 0.00 27.41 30.47 1n4r h HIS 358 CO -0.00 0.80 0.57 1.96 0.86 0.00 0.00 177.93 182.11 1n4r h GLN 359 N -0.61 1.24 -0.03 2.45 7.50 -0.43 -1.72 115.11 123.52 1n4r h GLN 359 Ca -0.01 -0.10 -0.04 0.00 0.50 0.00 0.00 58.65 58.99 1n4r h GLN 359 Cb 0.82 -0.26 -0.01 0.00 0.05 0.00 0.00 27.48 28.08 1n4r h GLN 359 CO 0.02 0.86 -0.18 0.66 -1.50 0.00 0.00 178.83 178.69 1n4r h SER 360 N 1.26 0.04 0.43 1.46 4.64 -1.12 -0.91 113.55 119.35 1n4r h SER 360 Ca 0.33 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.64 1n4r h SER 360 Cb -0.07 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.01 1n4r h SER 360 CO -0.06 0.23 0.00 -0.50 -0.87 0.00 0.00 176.83 175.63 1n4r h TRP 361 N 0.04 0.00 -2.86 4.77 6.55 -1.08 -3.38 115.95 119.99 1n4r h TRP 361 Ca 0.01 0.00 -0.66 0.00 0.95 0.00 0.00 58.89 59.19 1n4r h TRP 361 Cb 0.35 0.00 -0.16 0.00 -0.86 0.00 0.00 29.16 28.49 1n4r h TRP 361 CO 0.00 0.00 0.36 0.15 -1.05 0.00 0.00 178.44 177.90 1n4r s LYS 362 N -3.89 3.11 0.00 0.49 3.01 -0.35 -5.12 119.74 117.00 1n4r s LYS 362 Ca -0.02 -0.93 0.00 0.00 -1.01 0.00 0.00 55.97 54.01 1n4r s LYS 362 Cb 0.11 -4.21 0.00 0.00 -1.01 0.00 0.00 37.83 32.72 1n4r s LYS 362 CO 0.45 -1.63 0.00 0.25 0.51 0.00 0.00 175.35 174.93