#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 3.03 -0.30 -1.43 3.84 -1.26 -5.11 116.67 115.44 1n4r s ASP 19 Ca 0.00 -1.28 -0.25 0.00 -0.00 0.00 0.00 52.55 51.02 1n4r s ASP 19 Cb 0.00 -0.22 0.01 0.00 -1.38 0.00 0.00 42.92 41.32 1n4r s ASP 19 CO 0.00 -0.41 0.88 0.12 -0.00 0.00 0.00 175.17 175.76 1n4r s PHE 20 N -2.97 3.20 -1.14 2.11 5.36 -1.26 -4.95 117.98 118.34 1n4r s PHE 20 Ca 0.33 0.97 -0.08 0.00 -0.96 0.00 0.00 56.93 57.20 1n4r s PHE 20 Cb 0.06 -3.33 -0.07 0.00 -0.34 0.00 0.00 43.02 39.34 1n4r s PHE 20 CO 0.15 -0.60 2.96 1.28 -1.46 0.00 0.00 175.22 177.54 1n4r n LEU 21 N 6.37 7.73 -0.35 6.12 4.32 -1.26 -4.82 117.00 135.10 1n4r n LEU 21 Ca 0.06 -4.22 -0.02 0.00 -0.02 0.00 0.00 56.01 51.81 1n4r n LEU 21 Cb 0.48 -1.46 0.02 0.00 -1.62 0.00 0.00 43.42 40.83 1n4r n LEU 21 CO 0.53 1.97 0.52 -1.14 -1.22 0.00 0.00 177.39 178.04 1n4r n ARG 22 N 2.73 -0.24 -0.28 3.23 0.63 -1.26 -1.26 116.66 120.20 1n4r n ARG 22 Ca 0.66 1.39 -0.01 0.00 -0.92 0.00 0.00 57.85 58.97 1n4r n ARG 22 Cb 0.40 -2.06 0.11 0.00 0.45 0.00 0.00 32.46 31.35 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 0.77 -0.75 6.15 3.32 -2.00 -1.01 116.42 122.90 1n4r h ASP 23 Ca 0.29 0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.34 1n4r h ASP 23 Cb 0.52 -0.15 -0.04 0.00 0.22 0.00 0.00 39.33 39.88 1n4r h ASP 23 CO -0.89 0.51 0.42 -0.09 -1.72 0.00 0.00 179.24 177.47 1n4r h ARG 24 N 0.91 1.03 -0.07 3.56 9.65 -1.58 -1.72 114.38 126.16 1n4r h ARG 24 Ca 0.33 -0.11 -0.09 0.00 -1.10 0.00 0.00 59.98 59.01 1n4r h ARG 24 Cb 0.10 -0.21 -0.01 0.00 -1.39 0.00 0.00 29.97 28.46 1n4r h ARG 24 CO -0.15 0.76 -0.35 0.45 2.80 0.00 0.00 179.97 183.48 1n4r h HIS 25 N 1.03 0.16 -0.24 2.20 3.86 -0.94 -0.34 115.15 120.87 1n4r h HIS 25 Ca 0.26 -0.04 -0.04 0.00 -1.16 0.00 0.00 60.37 59.40 1n4r h HIS 25 Cb 0.01 -0.04 -0.01 0.00 1.06 0.00 0.00 27.41 28.43 1n4r h HIS 25 CO -0.00 0.48 0.01 0.28 0.86 0.00 0.00 177.93 179.55 1n4r h VAL 26 N 0.12 1.25 -0.79 2.45 2.07 -0.53 -2.04 116.25 118.78 1n4r h VAL 26 Ca 0.01 -0.88 -0.02 0.00 0.82 0.00 0.00 66.70 66.63 1n4r h VAL 26 Cb 0.69 1.35 -0.04 0.00 -1.52 0.00 0.00 31.29 31.77 1n4r h VAL 26 CO 0.05 0.28 0.41 0.03 0.02 0.00 0.00 177.57 178.36 1n4r h ARG 27 N 0.20 1.11 -0.38 1.57 3.08 -1.08 -1.49 114.38 117.39 1n4r h ARG 27 Ca 0.07 -0.14 0.06 0.00 0.07 0.00 0.00 59.98 60.03 1n4r h ARG 27 Cb 0.40 -0.21 -0.05 0.00 0.08 0.00 0.00 29.97 30.19 1n4r h ARG 27 CO 0.01 0.84 0.07 0.35 -1.07 0.00 0.00 179.97 180.17 1n4r h PHE 28 N 1.10 0.12 -0.18 3.04 3.57 -0.86 -0.90 116.94 122.82 1n4r h PHE 28 Ca 0.27 0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.71 1n4r h PHE 28 Cb 0.07 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 38.80 1n4r h PHE 28 CO 0.01 0.01 -0.25 0.74 -2.23 0.00 0.00 178.31 176.59 1n4r h PHE 29 N 0.20 0.37 -0.31 0.41 0.05 -1.04 -2.56 116.94 114.07 1n4r h PHE 29 Ca 0.18 -0.07 -0.01 0.00 3.82 0.00 0.00 57.97 61.89 1n4r h PHE 29 Cb 0.22 -0.09 -0.01 0.00 2.00 0.00 0.00 35.95 38.06 1n4r h PHE 29 CO -0.20 0.57 0.16 1.96 -0.18 0.00 0.00 178.31 180.62 1n4r h GLN 30 N 0.30 0.43 -0.77 1.51 4.20 -0.19 -2.29 115.11 118.29 1n4r h GLN 30 Ca 0.05 -0.06 0.02 0.00 0.06 0.00 0.00 58.65 58.72 1n4r h GLN 30 Cb 0.61 -0.08 -0.04 0.00 0.30 0.00 0.00 27.48 28.27 1n4r h GLN 30 CO 0.04 0.38 0.51 0.00 -0.67 0.00 0.00 178.83 179.10 1n4r h ARG 31 N 0.37 0.99 -0.66 1.46 3.08 -0.94 -2.16 114.38 116.52 1n4r h ARG 31 Ca 0.11 -0.06 0.04 0.00 0.07 0.00 0.00 59.98 60.13 1n4r h ARG 31 Cb 0.09 -0.22 -0.05 0.00 0.08 0.00 0.00 29.97 29.87 1n4r h ARG 31 CO -0.02 0.66 0.40 0.00 -1.07 0.00 0.00 179.97 179.94 1n4r n LEU 33 N -4.72 0.28 0.00 0.00 7.99 -0.83 -4.37 117.00 115.35 1n4r n LEU 33 Ca 0.07 0.57 0.00 0.00 -0.01 0.00 0.00 56.01 56.64 1n4r n LEU 33 Cb 0.11 -0.53 0.00 0.00 -0.11 0.00 0.00 43.42 42.89 1n4r n LEU 33 CO 0.32 -0.38 0.00 0.00 -1.51 0.00 0.00 177.39 175.82 1n4r n GLN 34 N -1.81 0.00 -3.98 3.23 6.02 -0.18 -5.06 117.38 115.60 1n4r n GLN 34 Ca 0.03 0.00 -0.10 0.00 -0.01 0.00 0.00 57.00 56.91 1n4r n GLN 34 Cb 0.19 -0.14 -0.12 0.00 1.02 0.00 0.00 30.24 31.19 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 0.16 0.07 5.09 1.01 -1.14 -5.12 120.40 120.46 1n4r s VAL 35 Ca 0.00 -0.72 0.09 0.00 0.00 0.00 0.00 61.98 61.34 1n4r s VAL 35 Cb 0.00 -0.26 -0.03 0.00 0.00 0.00 0.00 36.38 36.09 1n4r s VAL 35 CO 0.00 -0.36 -0.24 -0.76 0.00 0.00 0.00 175.10 173.75 1n4r s LEU 36 N -1.13 2.21 0.50 3.92 1.43 -1.26 -4.77 118.68 119.59 1n4r s LEU 36 Ca -0.11 -0.60 -0.21 0.00 -1.03 0.00 0.00 54.13 52.18 1n4r s LEU 36 Cb -0.08 -1.10 -0.07 0.00 0.03 0.00 0.00 46.19 44.98 1n4r s LEU 36 CO -0.01 0.18 1.11 -2.84 0.23 0.00 0.00 176.35 175.03 1n4r s PRO 37 N -1.44 3.60 0.05 1.29 0.02 -1.26 -4.86 135.00 132.40 1n4r s PRO 37 Ca 0.10 1.59 0.02 0.00 0.02 0.00 0.00 61.00 62.73 1n4r s PRO 37 Cb -0.10 -2.16 0.11 0.00 0.02 0.00 0.00 34.50 32.38 1n4r s PRO 37 CO 0.03 -0.64 0.87 -1.91 -0.33 0.00 0.00 177.00 175.02 1n4r n GLU 38 N -0.95 0.01 0.00 5.54 2.13 -1.26 -0.55 120.64 125.57 1n4r n GLU 38 Ca 0.10 0.34 0.09 0.00 0.66 0.00 0.00 57.16 58.34 1n4r n GLU 38 Cb 0.50 -1.77 0.45 0.00 0.27 0.00 0.00 31.44 30.90 1n4r n GLU 38 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 1n4r n ARG 39 N -1.41 0.26 -0.34 5.31 1.74 -1.26 -2.53 116.66 118.42 1n4r n ARG 39 Ca -0.00 0.11 0.07 0.00 -0.77 0.00 0.00 57.85 57.27 1n4r n ARG 39 Cb 0.23 -1.50 0.19 0.00 -1.02 0.00 0.00 32.46 30.36 1n4r n ARG 39 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 1n4r n TYR 40 N -1.28 0.39 0.25 -1.55 4.02 0.29 -4.72 117.16 114.57 1n4r n TYR 40 Ca 0.09 -1.11 0.18 0.00 -0.01 0.00 0.00 57.90 57.04 1n4r n TYR 40 Cb 0.14 -0.25 0.90 0.00 -0.02 0.00 0.00 39.34 40.11 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 0.76 0.00 0.21 7.72 4.64 -1.68 -0.79 113.55 124.40 1n4r h SER 41 Ca 0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 1n4r h SER 41 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 1n4r h SER 41 CO 0.11 0.00 0.00 -1.54 -0.87 0.00 0.00 176.83 174.53 1n4r n SER 42 N -3.57 0.00 -0.72 4.97 3.41 -1.26 -2.09 113.62 114.36 1n4r n SER 42 Ca -0.00 -0.15 0.09 0.00 -0.26 0.00 0.00 58.87 58.55 1n4r n SER 42 Cb 0.27 -0.19 0.07 0.00 -0.26 0.00 0.00 64.21 64.10 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 -1.19 2.49 -0.21 1.04 4.77 -0.30 -4.67 117.00 118.93 1n4r n LEU 43 Ca 0.10 -0.98 -0.11 0.00 -0.03 0.00 0.00 56.01 54.99 1n4r n LEU 43 Cb 0.11 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.13 1n4r n LEU 43 CO 0.12 0.44 0.52 -0.08 -1.33 0.00 0.00 177.39 177.06 1n4r h GLU 44 N 3.53 -0.26 0.00 3.23 4.57 -1.57 0.47 114.58 124.56 1n4r h GLU 44 Ca 0.00 0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.20 1n4r h GLU 44 Cb 0.77 0.06 0.00 0.00 -0.16 0.00 0.00 28.75 29.42 1n4r h GLU 44 CO 0.00 -0.17 0.00 0.25 -1.18 0.00 0.00 179.01 177.91 1n4r n THR 45 N -5.37 0.00 -2.64 0.32 -2.24 -1.26 -2.72 114.28 100.38 1n4r n THR 45 Ca -0.00 0.00 -0.00 0.00 -2.27 0.00 0.00 64.05 61.77 1n4r n THR 45 Cb 0.33 -0.29 0.05 0.00 -2.10 0.00 0.00 70.33 68.32 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 -0.57 0.45 0.14 3.42 3.41 0.07 -4.16 113.62 116.39 1n4r n SER 46 Ca 0.02 -2.06 0.03 0.00 -0.26 0.00 0.00 58.87 56.60 1n4r n SER 46 Cb 0.01 -0.08 0.41 0.00 -0.26 0.00 0.00 64.21 64.29 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 1.60 0.19 -0.15 4.33 3.08 -1.13 -2.32 114.38 119.97 1n4r h ARG 47 Ca -0.28 -0.04 0.01 0.00 0.07 0.00 0.00 59.98 59.73 1n4r h ARG 47 Cb 1.42 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 31.44 1n4r h ARG 47 CO 0.02 0.34 0.10 1.25 -1.07 0.00 0.00 179.97 180.61 1n4r h LEU 48 N 0.18 0.15 -0.39 3.04 5.85 -1.57 0.54 115.31 123.10 1n4r h LEU 48 Ca 0.04 -0.00 -0.12 0.00 0.84 0.00 0.00 57.88 58.63 1n4r h LEU 48 Cb 0.38 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.35 1n4r h LEU 48 CO 0.02 0.11 -0.58 0.71 -0.34 0.00 0.00 178.44 178.37 1n4r h THR 49 N 0.18 1.11 -0.10 1.05 1.35 -1.72 -1.02 112.91 113.76 1n4r h THR 49 Ca 0.06 -2.24 -0.19 0.00 -0.55 0.00 0.00 66.41 63.49 1n4r h THR 49 Cb 0.01 2.32 -0.00 0.00 -1.73 0.00 0.00 68.15 68.75 1n4r h THR 49 CO -0.01 0.57 -0.72 0.40 -0.25 0.00 0.00 175.52 175.51 1n4r h ILE 50 N 0.00 1.35 -0.20 6.82 1.08 -1.05 -0.87 117.51 124.63 1n4r h ILE 50 Ca -0.01 -2.07 -0.01 0.00 -0.39 0.00 0.00 64.86 62.39 1n4r h ILE 50 Cb 1.28 2.05 -0.01 0.00 -3.07 0.00 0.00 36.82 37.07 1n4r h ILE 50 CO 0.08 0.63 0.10 0.00 -0.69 0.00 0.00 178.15 178.27 1n4r h ALA 51 N 0.87 0.26 -0.24 1.87 0.00 -0.74 -2.08 119.26 119.20 1n4r h ALA 51 Ca -0.03 -0.07 0.06 0.00 0.00 0.00 0.00 54.91 54.86 1n4r h ALA 51 Cb 1.30 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 18.95 1n4r h ALA 51 CO 0.13 -0.19 -0.15 0.35 0.00 0.00 0.00 179.25 179.38 1n4r h PHE 52 N 0.21 -0.37 -0.91 0.00 3.57 -0.99 0.34 116.94 118.79 1n4r h PHE 52 Ca 0.07 0.03 0.11 0.00 3.53 0.00 0.00 57.97 61.71 1n4r h PHE 52 Cb 0.09 0.20 -0.07 0.00 2.79 0.00 0.00 35.95 38.97 1n4r h PHE 52 CO -0.03 -0.22 0.58 0.74 -2.23 0.00 0.00 178.31 177.15 1n4r h PHE 53 N -0.13 0.96 0.16 0.41 0.05 -0.91 0.81 116.94 118.28 1n4r h PHE 53 Ca 0.13 0.03 -0.23 0.00 3.82 0.00 0.00 57.97 61.72 1n4r h PHE 53 Cb 0.33 -0.31 0.02 0.00 2.00 0.00 0.00 35.95 38.00 1n4r h PHE 53 CO -0.32 0.41 -1.02 0.00 -0.18 0.00 0.00 178.31 177.21 1n4r h ALA 54 N 1.56 -0.07 0.06 2.45 0.00 -0.59 -1.92 119.26 120.75 1n4r h ALA 54 Ca 0.43 -0.78 -0.00 0.00 0.00 0.00 0.00 54.91 54.56 1n4r h ALA 54 Cb 0.48 0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.43 1n4r h ALA 54 CO -0.19 0.49 -0.03 -0.07 0.00 0.00 0.00 179.25 179.45 1n4r h LEU 55 N -0.27 -0.06 -1.35 0.00 3.38 -0.20 0.44 115.31 117.24 1n4r h LEU 55 Ca -0.18 -0.32 -0.04 0.00 0.09 0.00 0.00 57.88 57.43 1n4r h LEU 55 Cb 1.76 0.02 -0.02 0.00 0.09 0.00 0.00 40.66 42.51 1n4r h LEU 55 CO 0.16 0.29 0.04 -1.28 0.09 0.00 0.00 178.44 177.75 1n4r h SER 56 N -0.43 0.43 -0.50 -0.43 0.87 -0.99 0.25 113.55 112.75 1n4r h SER 56 Ca -0.01 -0.06 -0.10 0.00 -1.23 0.00 0.00 61.79 60.38 1n4r h SER 56 Cb 0.38 -0.11 -0.02 0.00 -0.44 0.00 0.00 62.40 62.21 1n4r h SER 56 CO 0.01 0.47 -0.08 1.23 -0.53 0.00 0.00 176.83 177.93 1n4r h GLY 57 N 0.74 1.04 0.73 5.77 0.00 -1.18 0.97 103.07 111.15 1n4r h GLY 57 Ca 0.11 -0.81 -0.05 0.00 0.00 0.00 0.00 47.33 46.58 1n4r h GLY 57 CO 0.00 0.74 -0.12 1.41 0.00 0.00 0.00 176.54 178.57 1n4r h LEU 58 N 0.87 0.35 -0.31 3.11 3.38 0.14 -2.52 115.31 120.33 1n4r h LEU 58 Ca 0.14 -0.46 0.07 0.00 0.09 0.00 0.00 57.88 57.72 1n4r h LEU 58 Cb 0.62 -0.10 -0.07 0.00 0.09 0.00 0.00 40.66 41.20 1n4r h LEU 58 CO 0.04 0.74 -0.15 -0.78 0.09 0.00 0.00 178.44 178.38 1n4r h ASP 59 N -0.04 -0.51 -0.20 -0.43 -0.00 -0.41 0.22 116.42 115.06 1n4r h ASP 59 Ca 0.03 0.12 0.06 0.00 -0.00 0.00 0.00 57.03 57.23 1n4r h ASP 59 Cb 0.63 0.28 -0.01 0.00 -0.00 0.00 0.00 39.33 40.23 1n4r h ASP 59 CO 0.03 -0.19 0.24 -0.03 -0.00 0.00 0.00 179.24 179.29 1n4r h MET 60 N -0.10 0.00 -0.28 0.28 4.05 -0.69 0.29 114.93 118.47 1n4r h MET 60 Ca 0.16 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.58 1n4r h MET 60 Cb 0.35 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.15 1n4r h MET 60 CO -0.38 0.00 0.00 1.28 0.23 0.00 0.00 176.91 178.04 1n4r n LEU 61 N -3.72 3.26 -3.43 3.39 4.77 0.55 -0.76 117.00 121.06 1n4r n LEU 61 Ca 0.02 -1.37 -0.17 0.00 -0.03 0.00 0.00 56.01 54.46 1n4r n LEU 61 Cb 0.36 -0.17 0.09 0.00 -2.33 0.00 0.00 43.42 41.37 1n4r n LEU 61 CO 0.26 0.67 0.10 -0.67 -1.33 0.00 0.00 177.39 176.42 1n4r n ASP 62 N 1.38 -2.20 -0.71 -1.43 2.03 0.10 -4.93 116.55 110.79 1n4r n ASP 62 Ca 0.17 -0.63 0.03 0.00 0.52 0.00 0.00 54.79 54.88 1n4r n ASP 62 Cb 0.58 -5.10 0.05 0.00 -0.72 0.00 0.00 41.12 35.93 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 -3.13 0.82 0.00 1.67 7.64 -0.59 -4.84 113.62 115.19 1n4r n SER 63 Ca -0.28 -2.36 0.01 0.00 1.01 0.00 0.00 58.87 57.25 1n4r n SER 63 Cb 0.67 -0.30 0.05 0.00 -1.01 0.00 0.00 64.21 63.63 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 -0.21 0.02 0.16 -3.43 4.77 -1.26 -2.02 117.00 115.02 1n4r n LEU 64 Ca 0.06 0.51 0.00 0.00 -0.03 0.00 0.00 56.01 56.55 1n4r n LEU 64 Cb 0.81 -0.51 0.24 0.00 -2.33 0.00 0.00 43.42 41.63 1n4r n LEU 64 CO -0.01 -0.48 0.58 -2.24 -1.33 0.00 0.00 177.39 173.90 1n4r h ASP 65 N 0.00 0.00 0.00 -1.43 2.03 -1.95 -3.12 116.42 111.94 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 0.03 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.53 1n4r h ASP 65 CO 0.00 0.53 0.00 1.33 -1.03 0.00 0.00 179.24 180.07 1n4r n VAL 66 N -3.88 0.00 -4.25 4.15 0.24 -0.86 -4.71 118.33 109.02 1n4r n VAL 66 Ca -0.01 0.00 -0.14 0.00 -2.04 0.00 0.00 64.34 62.15 1n4r n VAL 66 Cb 0.54 -0.25 -0.10 0.00 -1.47 0.00 0.00 33.84 32.56 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 -1.86 0.93 -0.98 3.34 -7.23 -1.18 -5.08 120.40 108.34 1n4r s VAL 67 Ca 0.00 -2.01 -0.14 0.00 -1.81 0.00 0.00 61.98 58.01 1n4r s VAL 67 Cb 0.00 -2.02 0.20 0.00 0.56 0.00 0.00 36.38 35.12 1n4r s VAL 67 CO 0.00 -0.59 1.05 0.21 -0.31 0.00 0.00 175.10 175.46 1n4r s ASN 68 N -3.18 6.90 0.47 4.85 3.84 -1.26 -4.88 114.94 121.67 1n4r s ASN 68 Ca 0.21 -2.76 0.34 0.00 0.21 0.00 0.00 52.86 50.85 1n4r s ASN 68 Cb 0.05 -2.29 1.47 0.00 -0.55 0.00 0.00 41.25 39.92 1n4r s ASN 68 CO 0.03 -0.67 1.65 0.11 -2.79 0.00 0.00 177.10 175.42 1n4r h LYS 69 N 7.72 0.08 -0.17 0.43 1.57 -1.92 -0.62 116.57 123.66 1n4r h LYS 69 Ca 0.17 -0.01 -0.16 0.00 -1.87 0.00 0.00 60.65 58.79 1n4r h LYS 69 Cb 0.97 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.27 1n4r h LYS 69 CO 0.98 0.06 -0.52 -0.44 -0.57 0.00 0.00 179.45 178.96 1n4r h ASP 70 N 0.09 0.75 0.15 0.86 3.32 -1.92 -2.04 116.42 117.62 1n4r h ASP 70 Ca 0.79 -0.59 -0.01 0.00 0.02 0.00 0.00 57.03 57.25 1n4r h ASP 70 Cb 2.67 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 42.00 1n4r h ASP 70 CO -0.28 1.21 -0.07 0.44 -1.72 0.00 0.00 179.24 178.81 1n4r h ASP 71 N 0.34 -0.17 -0.85 6.45 3.32 -1.54 -2.70 116.42 121.26 1n4r h ASP 71 Ca -0.02 -0.16 0.08 0.00 0.02 0.00 0.00 57.03 56.95 1n4r h ASP 71 Cb 1.14 0.04 -0.06 0.00 0.22 0.00 0.00 39.33 40.67 1n4r h ASP 71 CO 0.11 0.07 0.55 0.40 -1.72 0.00 0.00 179.24 178.65 1n4r h ILE 72 N -0.41 1.01 -0.59 0.35 2.04 -1.55 -0.89 117.51 117.48 1n4r h ILE 72 Ca -0.02 -0.30 -0.05 0.00 1.00 0.00 0.00 64.86 65.49 1n4r h ILE 72 Cb 0.32 0.05 -0.03 0.00 -0.74 0.00 0.00 36.82 36.42 1n4r h ILE 72 CO 0.03 0.16 0.16 0.40 0.00 0.00 0.00 178.15 178.90 1n4r h ILE 73 N 0.88 1.23 -0.42 -0.67 2.04 -1.23 -0.90 117.51 118.45 1n4r h ILE 73 Ca 0.38 -0.83 -0.13 0.00 1.00 0.00 0.00 64.86 65.28 1n4r h ILE 73 Cb 0.31 0.61 -0.01 0.00 -0.74 0.00 0.00 36.82 36.99 1n4r h ILE 73 CO -0.15 0.31 -0.27 -0.33 0.00 0.00 0.00 178.15 177.71 1n4r h GLU 74 N 0.87 0.89 -0.07 2.37 4.39 -0.88 -1.51 114.58 120.64 1n4r h GLU 74 Ca 0.19 -0.40 0.00 0.00 0.34 0.00 0.00 59.36 59.49 1n4r h GLU 74 Cb 0.29 -0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 28.92 1n4r h GLU 74 CO -0.00 1.05 0.05 2.35 -1.16 0.00 0.00 179.01 181.29 1n4r h TRP 75 N 0.76 0.09 -0.49 4.33 7.01 -0.83 -1.74 115.95 125.08 1n4r h TRP 75 Ca 0.09 0.00 0.02 0.00 2.11 0.00 0.00 58.89 61.11 1n4r h TRP 75 Cb 0.83 -0.03 -0.03 0.00 -2.10 0.00 0.00 29.16 27.83 1n4r h TRP 75 CO 0.05 0.08 0.29 0.82 -2.79 0.00 0.00 178.44 176.89 1n4r h ILE 76 N 0.08 1.06 0.00 2.65 2.04 -1.03 -1.69 117.51 120.62 1n4r h ILE 76 Ca 0.03 -0.20 -0.01 0.00 1.00 0.00 0.00 64.86 65.68 1n4r h ILE 76 Cb 0.01 0.42 -0.00 0.00 -0.74 0.00 0.00 36.82 36.51 1n4r h ILE 76 CO -0.01 0.11 -0.04 1.88 0.00 0.00 0.00 178.15 180.09 1n4r h TYR 77 N 0.59 0.00 0.00 1.37 0.05 -1.02 -0.10 116.97 117.86 1n4r h TYR 77 Ca 0.19 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.97 1n4r h TYR 77 Cb 0.01 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.75 1n4r h TYR 77 CO -0.06 0.04 0.00 -1.13 -1.05 0.00 0.00 178.16 175.96 1n4r n SER 78 N -3.26 0.26 -0.44 3.88 3.41 -0.64 -2.49 113.62 114.34 1n4r n SER 78 Ca -0.01 0.54 0.13 0.00 -0.26 0.00 0.00 58.87 59.27 1n4r n SER 78 Cb 0.21 -0.60 0.29 0.00 -0.26 0.00 0.00 64.21 63.84 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 1.59 -4.72 1.04 4.77 -0.05 -4.61 117.00 113.26 1n4r n LEU 79 Ca 0.05 -0.51 -0.42 0.00 -0.03 0.00 0.00 56.01 55.10 1n4r n LEU 79 Cb 0.28 -0.05 -0.03 0.00 -2.33 0.00 0.00 43.42 41.28 1n4r n LEU 79 CO 0.22 0.28 0.67 -1.58 -1.33 0.00 0.00 177.39 175.65 1n4r s GLN 80 N -2.33 4.59 -0.67 3.23 0.74 -1.06 -0.25 119.66 123.92 1n4r s GLN 80 Ca 0.26 1.41 -0.21 0.00 0.05 0.00 0.00 55.36 56.87 1n4r s GLN 80 Cb 0.19 -3.44 0.09 0.00 1.10 0.00 0.00 33.01 30.96 1n4r s GLN 80 CO 0.47 0.03 0.91 0.08 -0.55 0.00 0.00 175.29 176.22 1n4r s VAL 81 N 0.72 4.52 0.43 1.34 1.01 0.53 -4.89 120.40 124.06 1n4r s VAL 81 Ca 0.50 -0.70 -0.11 0.00 0.00 0.00 0.00 61.98 61.68 1n4r s VAL 81 Cb -0.22 -4.64 -0.06 0.00 0.00 0.00 0.00 36.38 31.46 1n4r s VAL 81 CO 0.28 -1.37 0.80 -0.76 0.00 0.00 0.00 175.10 174.05 1n4r s LEU 82 N 3.48 3.78 0.60 3.92 1.43 -1.26 -3.18 118.68 127.45 1n4r s LEU 82 Ca 0.20 1.16 -0.17 0.00 -1.03 0.00 0.00 54.13 54.29 1n4r s LEU 82 Cb -0.18 -4.06 -0.03 0.00 0.03 0.00 0.00 46.19 41.96 1n4r s LEU 82 CO 0.07 -0.44 1.12 -2.16 0.23 0.00 0.00 176.35 175.16 1n4r s PRO 83 N -3.97 3.10 0.75 1.29 0.04 -1.26 -4.48 135.00 130.47 1n4r s PRO 83 Ca 0.52 1.49 -0.09 0.00 0.04 0.00 0.00 61.00 62.95 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 0.33 -1.03 1.09 0.95 0.04 0.00 0.00 177.00 178.38 1n4r s THR 84 N -2.07 2.15 0.18 1.26 -4.23 -1.26 -3.20 115.64 108.46 1n4r s THR 84 Ca 0.70 -0.15 -0.23 0.00 -1.18 0.00 0.00 61.69 60.83 1n4r s THR 84 Cb -0.22 -3.00 0.09 0.00 1.34 0.00 0.00 72.50 70.72 1n4r s THR 84 CO 0.34 0.00 1.57 1.05 -0.54 0.00 0.00 174.62 177.04 1n4r h GLU 85 N -0.82 -0.17 0.00 3.99 9.09 -1.96 0.39 114.58 125.11 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 0.62 -0.12 0.00 -0.40 0.05 0.00 0.00 179.01 179.17 1n4r n ASP 86 N -5.42 0.00 -3.89 3.06 3.85 -1.26 -4.87 116.55 108.01 1n4r n ASP 86 Ca 0.03 -1.41 -0.30 0.00 -0.71 0.00 0.00 54.79 52.40 1n4r n ASP 86 Cb 0.36 0.00 -0.04 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 -0.57 -1.90 0.00 0.11 1.74 0.14 -4.81 116.66 111.37 1n4r n ARG 87 Ca 0.03 0.19 0.13 0.00 -0.77 0.00 0.00 57.85 57.43 1n4r n ARG 87 Cb 0.01 -4.79 0.43 0.00 -1.02 0.00 0.00 32.46 27.09 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 -2.25 1.51 -0.93 0.55 3.41 -1.26 -4.11 113.62 110.53 1n4r n SER 88 Ca 0.07 -1.37 -0.01 0.00 -0.26 0.00 0.00 58.87 57.30 1n4r n SER 88 Cb 0.48 0.05 0.17 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 0.03 2.40 -0.20 4.04 6.94 -1.26 -4.80 115.26 122.41 1n4r n ASN 89 Ca 0.16 -3.84 -0.02 0.00 -0.02 0.00 0.00 54.58 50.86 1n4r n ASN 89 Cb 0.38 -0.49 0.19 0.00 -2.36 0.00 0.00 39.78 37.50 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 1.26 0.88 0.00 -4.53 3.38 -1.95 -2.06 115.31 112.29 1n4r h LEU 90 Ca 0.08 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1n4r h LEU 90 Cb 1.13 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.66 1n4r h LEU 90 CO 0.17 0.74 0.00 0.47 0.09 0.00 0.00 178.44 179.91 1n4r n ASP 91 N -4.34 0.00 -0.01 -0.43 8.00 -1.26 -2.43 116.55 116.08 1n4r n ASP 91 Ca 0.07 -0.31 0.01 0.00 0.71 0.00 0.00 54.79 55.26 1n4r n ASP 91 Cb 0.13 -0.05 0.01 0.00 -0.02 0.00 0.00 41.12 41.19 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 -1.05 2.79 -2.47 -1.24 1.74 -0.78 -4.66 116.66 111.00 1n4r n ARG 92 Ca 0.09 -1.53 -0.31 0.00 -0.77 0.00 0.00 57.85 55.33 1n4r n ARG 92 Cb 0.05 -1.01 -0.02 0.00 -1.02 0.00 0.00 32.46 30.46 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 -1.80 0.05 3.35 0.00 0.00 -1.19 -4.45 105.19 101.15 1n4r n GLY 94 Ca 0.04 -0.95 -0.22 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 1.88 0.28 1.61 0.40 -1.26 -0.34 117.98 116.54 1n4r s PHE 95 Ca 0.00 -0.46 0.02 0.00 -0.60 0.00 0.00 56.93 55.89 1n4r s PHE 95 Cb 0.00 -0.93 -0.03 0.00 0.51 0.00 0.00 43.02 42.57 1n4r s PHE 95 CO 0.00 0.36 0.44 1.03 0.70 0.00 0.00 175.22 177.76 1n4r s ARG 96 N -2.87 3.47 0.22 0.44 0.52 0.66 -0.69 118.95 120.70 1n4r s ARG 96 Ca 0.17 -0.50 0.10 0.00 -0.52 0.00 0.00 55.73 54.98 1n4r s ARG 96 Cb -0.06 -2.79 0.15 0.00 0.52 0.00 0.00 34.95 32.78 1n4r s ARG 96 CO 0.07 0.31 1.49 0.78 0.02 0.00 0.00 175.30 177.97 1n4r h GLY 97 N 1.16 0.00 -0.01 -3.53 0.00 -1.89 -3.46 103.07 95.34 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 0.00 176.54 176.03 1n4r n SER 98 N -3.58 -0.01 -1.70 0.19 3.41 -1.26 -1.49 113.62 109.17 1n4r n SER 98 Ca -0.00 -1.01 0.01 0.00 -0.26 0.00 0.00 58.87 57.61 1n4r n SER 98 Cb 0.74 0.02 0.30 0.00 -0.26 0.00 0.00 64.21 65.01 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 4.68 0.32 4.04 3.41 -1.26 -4.63 113.62 119.60 1n4r n SER 99 Ca -0.00 -2.85 0.15 0.00 -0.26 0.00 0.00 58.87 55.91 1n4r n SER 99 Cb 0.00 -0.67 0.82 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 2.86 0.00 0.00 7.33 -0.00 -1.96 -0.76 116.97 124.45 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 1.85 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 38.58 1n4r h TYR 100 CO 0.97 0.00 0.00 1.28 -0.00 0.00 0.00 178.16 180.41 1n4r n LEU 101 N -2.84 0.47 -0.06 0.10 4.77 -1.26 -4.93 117.00 113.25 1n4r n LEU 101 Ca -0.02 0.55 0.00 0.00 -0.03 0.00 0.00 56.01 56.51 1n4r n LEU 101 Cb 0.34 -0.41 0.00 0.00 -2.33 0.00 0.00 43.42 41.02 1n4r n LEU 101 CO 0.13 -0.15 0.00 0.61 -1.33 0.00 0.00 177.39 176.66 1n4r n GLY 102 N 1.22 0.56 3.75 -0.72 0.00 -0.29 -5.04 105.19 104.67 1n4r n GLY 102 Ca 0.06 -0.79 -0.39 0.00 0.00 0.00 0.00 46.02 44.89 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 -2.11 4.83 0.07 -0.61 1.01 -1.26 -4.99 121.20 118.14 1n4r s ILE 103 Ca 0.00 1.45 -0.35 0.00 0.00 0.00 0.00 60.65 61.74 1n4r s ILE 103 Cb 0.00 -4.03 -0.15 0.00 0.01 0.00 0.00 42.46 38.29 1n4r s ILE 103 CO 0.00 0.38 1.55 -0.81 0.00 0.00 0.00 174.94 176.06 1n4r n PRO 104 N 2.84 1.75 -1.42 2.79 -0.04 -1.26 -4.81 135.00 134.85 1n4r n PRO 104 Ca -0.04 0.63 -0.53 0.00 -0.04 0.00 0.00 63.50 63.52 1n4r n PRO 104 Cb 0.51 -2.36 -0.08 0.00 -0.04 0.00 0.00 33.50 31.52 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 3.67 1.55 -3.50 0.54 7.35 -1.26 -4.92 117.46 120.88 1n4r n PHE 105 Ca 0.19 0.38 -0.28 0.00 -0.76 0.00 0.00 57.45 56.98 1n4r n PHE 105 Cb 0.24 -2.48 -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 6.82 3.22 -0.69 -2.13 2.47 -1.26 -5.06 114.94 118.31 1n4r s ASN 106 Ca 1.11 -1.64 -0.25 0.00 0.42 0.00 0.00 52.86 52.50 1n4r s ASN 106 Cb -0.99 -0.33 -0.22 0.00 -1.45 0.00 0.00 41.25 38.27 1n4r s ASN 106 CO 0.53 -0.38 1.86 -0.81 -3.72 0.00 0.00 177.10 174.58 1n4r n PRO 107 N 4.76 0.91 -4.32 0.43 -0.04 -1.26 -4.21 135.00 131.26 1n4r n PRO 107 Ca 0.02 -1.73 -0.33 0.00 -0.04 0.00 0.00 63.50 61.41 1n4r n PRO 107 Cb 0.40 -3.12 -0.08 0.00 -0.04 0.00 0.00 33.50 30.66 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 11.16 -0.16 0.00 3.54 7.64 -1.04 -4.77 113.62 129.99 1n4r n SER 108 Ca 0.47 -1.22 0.00 0.00 1.01 0.00 0.00 58.87 59.13 1n4r n SER 108 Cb 0.43 -1.86 0.00 0.00 -1.01 0.00 0.00 64.21 61.77 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 -0.40 1.43 5.02 -1.26 -5.04 118.16 113.48 1n4r n LYS 109 Ca -0.19 0.00 -0.27 0.00 -2.02 0.00 0.00 58.31 55.83 1n4r n LYS 109 Cb 0.62 0.00 0.24 0.00 -0.02 0.00 0.00 35.03 35.87 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 -3.27 -3.70 4.39 0.23 -1.26 -5.02 115.26 106.63 1n4r n ASN 110 Ca 0.00 -0.55 0.00 0.00 -0.53 0.00 0.00 54.58 53.50 1n4r n ASN 110 Cb 0.00 -0.98 0.00 0.00 -2.08 0.00 0.00 39.78 36.72 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 -4.19 2.15 -4.06 -0.53 -0.09 -1.26 -4.99 135.00 122.04 1n4r n PRO 111 Ca 0.08 0.00 -0.35 0.00 -0.09 0.00 0.00 63.50 63.14 1n4r n PRO 111 Cb 0.53 0.00 -0.11 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 -0.12 1.85 -0.75 1.68 0.00 -1.20 -4.92 107.32 103.87 1n4r s GLY 112 Ca 0.00 -0.81 -0.23 0.00 0.00 0.00 0.00 44.72 43.68 1n4r s GLY 112 CO 0.00 0.09 1.11 -1.08 0.00 0.00 0.00 173.10 173.22 1n4r s THR 113 N 0.52 4.19 0.15 0.90 -1.32 -1.26 -4.64 115.64 114.18 1n4r s THR 113 Ca 0.02 -0.38 -0.32 0.00 -1.21 0.00 0.00 61.69 59.80 1n4r s THR 113 Cb -0.13 -4.79 -0.17 0.00 -1.51 0.00 0.00 72.50 65.89 1n4r s THR 113 CO 0.01 -1.61 0.82 0.00 -2.21 0.00 0.00 174.62 171.63 1n4r n ALA 114 N 8.08 -2.50 -3.68 11.08 0.00 -1.26 -5.00 120.51 127.23 1n4r n ALA 114 Ca 0.05 0.48 -0.09 0.00 0.00 0.00 0.00 53.44 53.88 1n4r n ALA 114 Cb 0.47 -1.76 -0.10 0.00 0.00 0.00 0.00 19.45 18.07 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 -0.59 -0.71 0.40 0.00 5.65 -1.26 -5.06 115.29 113.71 1n4r s HIS 115 Ca 0.72 1.45 0.23 0.00 0.25 0.00 0.00 55.06 57.71 1n4r s HIS 115 Cb -0.99 0.32 1.25 0.00 -1.18 0.00 0.00 32.58 31.98 1n4r s HIS 115 CO 0.56 -0.40 1.67 -1.35 -0.65 0.00 0.00 174.74 174.57 1n4r h PRO 116 N 7.39 0.22 0.00 2.88 0.11 -2.05 -2.83 132.00 137.72 1n4r h PRO 116 Ca -0.31 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.79 1n4r h PRO 116 Cb 1.17 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.23 1n4r h PRO 116 CO 0.24 0.15 -0.04 0.66 -0.21 0.00 0.00 178.00 178.79 1n4r n TYR 117 N -4.78 0.00 -3.25 0.65 4.01 -1.26 -5.02 117.16 107.50 1n4r n TYR 117 Ca 0.32 -0.65 -0.39 0.00 -0.16 0.00 0.00 57.90 57.03 1n4r n TYR 117 Cb 1.16 -0.09 -0.06 0.00 -0.31 0.00 0.00 39.34 40.03 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 -1.77 6.62 0.13 7.72 2.15 -1.07 -5.03 116.67 125.41 1n4r s ASP 118 Ca 0.14 0.74 -0.25 0.00 0.43 0.00 0.00 52.55 53.61 1n4r s ASP 118 Cb 0.13 -2.30 0.07 0.00 -0.30 0.00 0.00 42.92 40.52 1n4r s ASP 118 CO 0.01 -0.13 0.89 -0.94 -0.17 0.00 0.00 175.17 174.83 1n4r s SER 119 N 0.98 -0.26 0.86 -0.34 1.04 -1.26 -4.88 113.70 109.85 1n4r s SER 119 Ca 0.25 -0.30 -0.12 0.00 0.48 0.00 0.00 55.95 56.26 1n4r s SER 119 Cb -0.15 0.50 0.11 0.00 0.10 0.00 0.00 66.02 66.58 1n4r s SER 119 CO 0.10 -0.89 1.17 -0.83 0.98 0.00 0.00 173.24 173.77 1n4r s GLY 120 N -2.81 1.59 -0.10 7.32 0.00 -0.44 -4.69 107.32 108.19 1n4r s GLY 120 Ca 0.10 -0.62 0.00 0.00 0.00 0.00 0.00 44.72 44.20 1n4r s GLY 120 CO -0.01 -0.08 -0.08 -1.58 0.00 0.00 0.00 173.10 171.35 1n4r s HIS 121 N -3.45 1.38 0.36 1.90 5.04 0.13 -4.58 115.29 116.07 1n4r s HIS 121 Ca 0.63 -0.63 0.15 0.00 -1.54 0.00 0.00 55.06 53.68 1n4r s HIS 121 Cb -0.12 -1.14 1.05 0.00 0.04 0.00 0.00 32.58 32.40 1n4r s HIS 121 CO 0.51 -0.43 1.72 0.97 -2.34 0.00 0.00 174.74 175.17 1n4r h ILE 122 N 6.14 0.45 0.00 0.89 2.10 -0.92 0.47 117.51 126.64 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 -0.02 -0.00 0.00 -1.09 0.00 0.00 36.82 36.85 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 1.71 0.97 0.10 0.18 0.00 -1.95 -2.20 119.26 118.08 1n4r h ALA 123 Ca 0.66 -0.10 -0.31 0.00 0.00 0.00 0.00 54.91 55.16 1n4r h ALA 123 Cb 1.53 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.28 1n4r h ALA 123 CO -0.44 0.14 -1.59 0.52 0.00 0.00 0.00 179.25 177.88 1n4r h MET 124 N 0.00 0.22 -0.73 0.00 2.86 -0.43 -2.12 114.93 114.73 1n4r h MET 124 Ca -0.00 -0.37 -0.05 0.00 -2.06 0.00 0.00 59.70 57.21 1n4r h MET 124 Cb 0.80 0.14 -0.03 0.00 0.06 0.00 0.00 31.60 32.57 1n4r h MET 124 CO 0.01 1.05 0.25 1.15 1.06 0.00 0.00 176.91 180.43 1n4r h THR 125 N 0.06 1.26 0.78 2.22 2.02 -0.93 0.42 112.91 118.74 1n4r h THR 125 Ca -0.26 -0.87 -0.04 0.00 0.77 0.00 0.00 66.41 66.01 1n4r h THR 125 Cb 2.01 0.45 0.01 0.00 -1.74 0.00 0.00 68.15 68.88 1n4r h THR 125 CO 0.14 0.34 -0.38 0.22 0.37 0.00 0.00 175.52 176.22 1n4r h TYR 126 N 1.07 -0.98 0.00 3.16 3.20 -1.45 -1.83 116.97 120.14 1n4r h TYR 126 Ca 0.24 -0.02 -0.03 0.00 3.14 0.00 0.00 58.73 62.06 1n4r h TYR 126 Cb 0.28 0.32 -0.00 0.00 1.54 0.00 0.00 36.73 38.87 1n4r h TYR 126 CO 0.02 -0.61 -0.13 1.79 -1.64 0.00 0.00 178.16 177.60 1n4r h THR 127 N -1.26 0.81 0.67 1.81 1.35 -1.35 -0.60 112.91 114.33 1n4r h THR 127 Ca -0.11 -0.49 -0.03 0.00 -0.55 0.00 0.00 66.41 65.23 1n4r h THR 127 Cb 0.81 1.28 0.01 0.00 -1.73 0.00 0.00 68.15 68.52 1n4r h THR 127 CO 0.18 0.12 -0.32 1.23 -0.25 0.00 0.00 175.52 176.48 1n4r h GLY 128 N 0.58 -0.93 0.58 5.82 0.00 -0.10 0.49 103.07 109.50 1n4r h GLY 128 Ca -0.00 0.35 0.07 0.00 0.00 0.00 0.00 47.33 47.75 1n4r h GLY 128 CO 0.02 -0.34 0.35 1.41 0.00 0.00 0.00 176.54 177.98 1n4r h LEU 129 N -1.19 0.49 -0.70 3.11 3.38 -1.20 -0.50 115.31 118.69 1n4r h LEU 129 Ca -0.09 0.05 0.06 0.00 0.09 0.00 0.00 57.88 57.99 1n4r h LEU 129 Cb 0.71 -0.04 -0.06 0.00 0.09 0.00 0.00 40.66 41.36 1n4r h LEU 129 CO 0.15 0.30 0.40 -1.28 0.09 0.00 0.00 178.44 178.10 1n4r h SER 130 N 0.63 0.59 -0.37 -0.43 0.87 -1.08 -1.72 113.55 112.04 1n4r h SER 130 Ca 0.32 0.03 -0.06 0.00 -1.23 0.00 0.00 61.79 60.85 1n4r h SER 130 Cb 0.27 -0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 62.13 1n4r h SER 130 CO -0.22 0.38 -0.01 0.00 -0.53 0.00 0.00 176.83 176.44 1n4r h LEU 132 N 0.48 -0.04 -0.82 0.00 3.38 -0.69 -0.34 115.31 117.27 1n4r h LEU 132 Ca 0.10 0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.13 1n4r h LEU 132 Cb 0.49 0.10 -0.04 0.00 0.09 0.00 0.00 40.66 41.30 1n4r h LEU 132 CO 0.02 0.01 0.49 0.40 0.09 0.00 0.00 178.44 179.45 1n4r h ILE 133 N 0.16 1.23 -0.72 1.22 2.04 -1.24 -1.66 117.51 118.54 1n4r h ILE 133 Ca 0.17 -0.52 -0.03 0.00 1.00 0.00 0.00 64.86 65.48 1n4r h ILE 133 Cb 0.21 0.09 -0.03 0.00 -0.74 0.00 0.00 36.82 36.35 1n4r h ILE 133 CO -0.25 0.25 0.32 0.40 0.00 0.00 0.00 178.15 178.87 1n4r h ILE 134 N 1.13 1.24 0.00 -0.67 2.04 -0.82 -2.13 117.51 118.30 1n4r h ILE 134 Ca 0.29 -0.70 0.00 0.00 1.00 0.00 0.00 64.86 65.46 1n4r h ILE 134 Cb -0.03 0.34 0.00 0.00 -0.74 0.00 0.00 36.82 36.39 1n4r h ILE 134 CO -0.05 0.29 0.00 0.18 0.00 0.00 0.00 178.15 178.56 1n4r n LEU 135 N -4.31 0.00 0.00 1.44 4.77 -0.20 -4.90 117.00 113.80 1n4r n LEU 135 Ca 0.07 0.27 0.00 0.00 -0.03 0.00 0.00 56.01 56.31 1n4r n LEU 135 Cb 0.15 -0.27 0.00 0.00 -2.33 0.00 0.00 43.42 40.98 1n4r n LEU 135 CO 0.39 -0.04 0.00 0.61 -1.33 0.00 0.00 177.39 177.03 1n4r n GLY 136 N 0.92 0.33 3.62 -0.72 0.00 -0.80 -4.95 105.19 103.58 1n4r n GLY 136 Ca 0.13 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.06 -0.95 1.61 -0.08 -0.68 -4.93 116.55 111.46 1n4r n ASP 137 Ca 0.00 0.43 0.08 0.00 -1.51 0.00 0.00 54.79 53.79 1n4r n ASP 137 Cb 0.00 -1.43 0.23 0.00 2.34 0.00 0.00 41.12 42.26 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 -3.47 3.40 -1.37 1.67 5.68 -1.26 -4.50 116.55 116.70 1n4r n ASP 138 Ca 0.11 -2.03 -0.18 0.00 -0.50 0.00 0.00 54.79 52.19 1n4r n ASP 138 Cb 0.52 -0.35 -0.08 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 0.95 -1.19 0.18 -2.12 4.32 -1.26 -4.86 117.00 113.02 1n4r n LEU 139 Ca 0.17 0.44 0.02 0.00 -0.02 0.00 0.00 56.01 56.63 1n4r n LEU 139 Cb 0.52 -2.74 0.36 0.00 -1.62 0.00 0.00 43.42 39.94 1n4r n LEU 139 CO 0.12 -1.04 0.75 0.77 -1.22 0.00 0.00 177.39 176.76 1n4r h SER 140 N 0.00 0.04 -0.07 -1.43 4.64 -2.02 -2.41 113.55 112.30 1n4r h SER 140 Ca -0.36 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.94 1n4r h SER 140 Cb 1.27 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 1n4r h SER 140 CO 0.53 0.38 0.00 0.54 -0.87 0.00 0.00 176.83 177.41 1n4r n ARG 141 N -4.13 1.46 -3.08 4.77 1.74 -1.26 -4.80 116.66 111.36 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 0.39 -1.40 -0.06 0.00 -1.02 0.00 0.00 32.46 30.36 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 4.98 -1.26 1.55 1.01 -0.91 -4.96 120.40 118.90 1n4r s VAL 142 Ca 0.35 1.21 -0.19 0.00 0.00 0.00 0.00 61.98 63.35 1n4r s VAL 142 Cb 0.18 -3.96 0.01 0.00 0.00 0.00 0.00 36.38 32.61 1n4r s VAL 142 CO 0.28 0.04 1.85 -0.67 0.00 0.00 0.00 175.10 176.60 1n4r n ASP 143 N 5.54 4.21 -0.29 3.32 -0.08 -1.26 -4.80 116.55 123.18 1n4r n ASP 143 Ca 0.00 -2.84 0.12 0.00 -1.51 0.00 0.00 54.79 50.56 1n4r n ASP 143 Cb 0.49 -1.71 0.28 0.00 2.34 0.00 0.00 41.12 42.53 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 7.99 0.27 -0.30 -0.67 1.57 -1.92 -0.55 116.57 122.96 1n4r h LYS 144 Ca 0.40 -0.02 -0.09 0.00 -1.87 0.00 0.00 60.65 59.07 1n4r h LYS 144 Cb 0.85 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 33.09 1n4r h LYS 144 CO 1.47 0.18 -0.19 0.93 -0.57 0.00 0.00 179.45 181.27 1n4r h GLU 145 N 0.28 0.54 -0.24 3.15 4.39 -1.99 -1.88 114.58 118.83 1n4r h GLU 145 Ca 0.54 -0.19 -0.05 0.00 0.34 0.00 0.00 59.36 60.00 1n4r h GLU 145 Cb 1.05 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.65 1n4r h GLU 145 CO -0.59 0.71 -0.05 0.00 -1.16 0.00 0.00 179.01 177.92 1n4r h ALA 146 N 1.31 0.33 -0.37 3.43 0.00 -1.51 -0.78 119.26 121.68 1n4r h ALA 146 Ca 0.08 -0.26 0.01 0.00 0.00 0.00 0.00 54.91 54.74 1n4r h ALA 146 Cb 0.61 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 1n4r h ALA 146 CO 0.04 0.12 0.24 0.00 0.00 0.00 0.00 179.25 179.65 1n4r h LEU 148 N 0.48 0.67 -0.51 0.00 3.38 -1.25 0.16 115.31 118.25 1n4r h LEU 148 Ca 0.14 -0.08 -0.06 0.00 0.09 0.00 0.00 57.88 57.96 1n4r h LEU 148 Cb -0.04 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.52 1n4r h LEU 148 CO -0.04 0.61 0.06 0.00 0.09 0.00 0.00 178.44 179.17 1n4r h ALA 149 N 1.49 0.68 -0.50 1.53 0.00 -0.53 -1.68 119.26 120.25 1n4r h ALA 149 Ca 0.18 -0.25 -0.05 0.00 0.00 0.00 0.00 54.91 54.78 1n4r h ALA 149 Cb 0.16 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1n4r h ALA 149 CO -0.02 0.43 0.11 0.78 0.00 0.00 0.00 179.25 180.55 1n4r h GLY 150 N 0.73 0.87 0.68 0.00 0.00 -0.03 -2.77 103.07 102.55 1n4r h GLY 150 Ca 0.15 -0.56 0.01 0.00 0.00 0.00 0.00 47.33 46.94 1n4r h GLY 150 CO 0.01 0.52 -0.19 -2.00 0.00 0.00 0.00 176.54 174.88 1n4r h LEU 151 N 0.69 -0.53 -1.12 3.11 6.46 -0.48 -2.24 115.31 121.20 1n4r h LEU 151 Ca 0.16 0.06 0.19 0.00 -0.12 0.00 0.00 57.88 58.16 1n4r h LEU 151 Cb 0.35 0.20 -0.10 0.00 -0.73 0.00 0.00 40.66 40.39 1n4r h LEU 151 CO 0.00 -0.27 0.61 0.03 -0.62 0.00 0.00 178.44 178.20 1n4r h ARG 152 N -0.37 0.69 0.00 1.25 3.08 -1.03 0.77 114.38 118.76 1n4r h ARG 152 Ca 0.02 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.02 1n4r h ARG 152 Cb 0.38 -0.15 -0.00 0.00 0.08 0.00 0.00 29.97 30.28 1n4r h ARG 152 CO -0.10 0.45 -0.06 0.00 -1.07 0.00 0.00 179.97 179.19 1n4r h ALA 153 N 1.63 1.23 0.00 0.04 0.00 -1.12 -2.82 119.26 118.23 1n4r h ALA 153 Ca 0.55 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.40 1n4r h ALA 153 Cb 0.93 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.71 1n4r h ALA 153 CO -0.32 0.07 -0.37 -0.07 0.00 0.00 0.00 179.25 178.56 1n4r h LEU 154 N 0.00 0.00 -9.67 0.00 3.38 -0.68 -3.47 115.31 104.88 1n4r h LEU 154 Ca -0.00 0.00 -0.52 0.00 0.09 0.00 0.00 57.88 57.45 1n4r h LEU 154 Cb 0.22 0.00 0.02 0.00 0.09 0.00 0.00 40.66 40.99 1n4r h LEU 154 CO 0.01 0.03 0.54 -1.58 0.09 0.00 0.00 178.44 177.53 1n4r s GLN 155 N -3.24 4.51 0.62 1.13 0.74 -1.06 -1.89 119.66 120.47 1n4r s GLN 155 Ca 0.04 1.85 0.02 0.00 0.05 0.00 0.00 55.36 57.32 1n4r s GLN 155 Cb 0.07 -3.24 0.08 0.00 1.10 0.00 0.00 33.01 31.01 1n4r s GLN 155 CO 0.71 -0.05 0.87 -0.51 -0.55 0.00 0.00 175.29 175.76 1n4r s LEU 156 N -0.32 3.13 0.26 3.68 1.43 0.53 -4.98 118.68 122.41 1n4r s LEU 156 Ca 0.52 -0.32 -0.04 0.00 -1.03 0.00 0.00 54.13 53.26 1n4r s LEU 156 Cb -0.32 -2.27 0.34 0.00 0.03 0.00 0.00 46.19 43.97 1n4r s LEU 156 CO 0.37 -1.48 1.90 1.05 0.23 0.00 0.00 176.35 178.42 1n4r h GLU 157 N -0.15 1.23 0.00 1.70 4.11 -1.96 -1.70 114.58 117.81 1n4r h GLU 157 Ca -0.37 -0.07 0.00 0.00 0.07 0.00 0.00 59.36 58.98 1n4r h GLU 157 Cb 1.28 -0.28 0.00 0.00 0.50 0.00 0.00 28.75 30.25 1n4r h GLU 157 CO 0.45 0.81 0.00 -0.40 0.07 0.00 0.00 179.01 179.94 1n4r n ASP 158 N -4.45 0.00 0.00 3.06 3.85 -1.26 -4.87 116.55 112.89 1n4r n ASP 158 Ca 0.14 -0.83 0.00 0.00 -0.71 0.00 0.00 54.79 53.39 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 0.37 3.05 3.87 6.12 0.00 -0.64 -4.05 105.19 113.91 1n4r n GLY 159 Ca 0.14 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.87 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 0.15 -4.30 1.61 3.41 -1.26 -3.97 113.62 109.26 1n4r n SER 160 Ca 0.00 -1.51 -0.17 0.00 -0.26 0.00 0.00 58.87 56.93 1n4r n SER 160 Cb 0.00 -1.00 -0.10 0.00 -0.26 0.00 0.00 64.21 62.84 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 -3.88 1.54 0.43 7.33 0.40 -1.26 -0.35 117.98 122.20 1n4r s PHE 161 Ca 0.75 -0.62 0.08 0.00 -0.60 0.00 0.00 56.93 56.54 1n4r s PHE 161 Cb -0.02 -0.75 -0.00 0.00 0.51 0.00 0.00 43.02 42.76 1n4r s PHE 161 CO 0.53 0.25 0.48 0.00 0.70 0.00 0.00 175.22 177.17 1n4r n ALA 163 N -1.71 1.31 -2.81 0.00 0.00 -1.26 -4.76 120.51 111.29 1n4r n ALA 163 Ca 0.06 -0.80 -0.13 0.00 0.00 0.00 0.00 53.44 52.57 1n4r n ALA 163 Cb 0.61 -0.67 -0.11 0.00 0.00 0.00 0.00 19.45 19.27 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 0.53 0.51 0.00 -7.23 -1.26 -0.26 120.40 110.11 1n4r s VAL 164 Ca -0.12 -1.14 0.18 0.00 -1.81 0.00 0.00 61.98 59.08 1n4r s VAL 164 Cb 0.07 -0.68 0.26 0.00 0.56 0.00 0.00 36.38 36.59 1n4r s VAL 164 CO 0.79 -0.43 2.12 1.55 -0.31 0.00 0.00 175.10 178.82 1n4r h PRO 165 N 4.37 0.00 0.00 4.82 0.13 -1.86 -1.76 132.00 137.71 1n4r h PRO 165 Ca -0.36 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.77 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 0.05 0.00 0.39 -0.23 0.00 0.00 178.00 178.64 1n4r n GLU 166 N -4.34 0.15 0.00 0.86 4.71 -1.26 -4.95 120.64 115.81 1n4r n GLU 166 Ca -0.03 0.46 0.00 0.00 -0.01 0.00 0.00 57.16 57.58 1n4r n GLU 166 Cb 0.14 -1.83 0.00 0.00 -1.01 0.00 0.00 31.44 28.74 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 -0.39 3.02 3.43 0.62 0.00 -0.66 -5.17 105.19 106.04 1n4r n GLY 167 Ca 0.01 -1.70 0.02 0.00 0.00 0.00 0.00 46.02 44.35 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 -1.10 -4.77 1.61 3.41 -1.26 -4.70 113.62 106.81 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 1.71 0.09 0.00 -0.26 0.00 0.00 64.21 65.76 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 2.18 -0.04 4.33 1.03 -1.26 -4.86 118.70 118.07 1n4r s GLU 169 Ca 0.25 1.00 0.02 0.00 0.03 0.00 0.00 54.97 56.27 1n4r s GLU 169 Cb -0.01 -1.90 0.02 0.00 -0.80 0.00 0.00 34.13 31.44 1n4r s GLU 169 CO 0.00 -1.65 -0.07 0.54 -1.33 0.00 0.00 175.26 172.76 1n4r s ASN 170 N -3.54 1.10 0.19 0.83 4.22 -1.26 -4.24 114.94 112.24 1n4r s ASN 170 Ca 0.61 -0.17 -0.11 0.00 -2.14 0.00 0.00 52.86 51.05 1n4r s ASN 170 Cb -0.16 -0.46 0.04 0.00 1.28 0.00 0.00 41.25 41.95 1n4r s ASN 170 CO 0.56 -0.01 0.57 -0.90 -2.04 0.00 0.00 177.10 175.28 1n4r n ASP 171 N 3.78 -1.29 -0.18 3.54 5.68 -1.22 -4.94 116.55 121.92 1n4r n ASP 171 Ca -0.23 -1.80 0.20 0.00 -0.50 0.00 0.00 54.79 52.46 1n4r n ASP 171 Cb 0.52 2.12 0.57 0.00 -1.14 0.00 0.00 41.12 43.19 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 0.28 -0.60 0.11 1.85 -1.73 -2.18 114.93 112.65 1n4r h MET 172 Ca -0.19 -0.02 0.10 0.00 -0.61 0.00 0.00 59.70 58.98 1n4r h MET 172 Cb 0.77 -0.06 -0.08 0.00 0.43 0.00 0.00 31.60 32.66 1n4r h MET 172 CO 0.25 0.18 0.19 0.00 -0.40 0.00 0.00 176.91 177.13 1n4r h ARG 173 N 0.29 0.34 0.00 0.39 3.08 -1.94 -1.37 114.38 115.16 1n4r h ARG 173 Ca 0.41 -0.02 -0.02 0.00 0.07 0.00 0.00 59.98 60.42 1n4r h ARG 173 Cb 1.16 -0.08 -0.00 0.00 0.08 0.00 0.00 29.97 31.13 1n4r h ARG 173 CO -0.11 0.22 -0.07 0.74 -1.07 0.00 0.00 179.97 179.68 1n4r h PHE 174 N 0.35 0.00 -0.43 3.04 0.05 -1.69 -2.59 116.94 115.66 1n4r h PHE 174 Ca 0.31 0.00 -0.13 0.00 3.82 0.00 0.00 57.97 61.98 1n4r h PHE 174 Cb 0.42 0.00 -0.01 0.00 2.00 0.00 0.00 35.95 38.36 1n4r h PHE 174 CO -0.20 0.07 -0.22 0.28 -0.18 0.00 0.00 178.31 178.07 1n4r h VAL 175 N 0.00 1.27 -0.70 -0.55 2.07 -1.20 -1.05 116.25 116.10 1n4r h VAL 175 Ca -0.00 -1.37 -0.07 0.00 0.82 0.00 0.00 66.70 66.08 1n4r h VAL 175 Cb 0.93 1.22 -0.03 0.00 -1.52 0.00 0.00 31.29 31.89 1n4r h VAL 175 CO 0.01 0.47 0.15 0.22 0.02 0.00 0.00 177.57 178.44 1n4r h TYR 176 N 0.75 1.19 -0.37 1.57 3.20 -1.17 -1.21 116.97 120.92 1n4r h TYR 176 Ca 0.10 -0.15 -0.02 0.00 3.14 0.00 0.00 58.73 61.80 1n4r h TYR 176 Cb 0.79 -0.33 -0.02 0.00 1.54 0.00 0.00 36.73 38.71 1n4r h TYR 176 CO 0.06 0.97 0.17 0.00 -1.64 0.00 0.00 178.16 177.72 1n4r h ALA 178 N 1.02 0.51 -0.57 0.00 0.00 -0.96 -1.08 119.26 118.16 1n4r h ALA 178 Ca 0.13 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.05 1n4r h ALA 178 Cb 0.15 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.78 1n4r h ALA 178 CO -0.01 -0.08 0.35 0.77 0.00 0.00 0.00 179.25 180.27 1n4r h SER 179 N 0.49 0.56 -0.70 0.00 0.02 -0.93 -1.10 113.55 111.88 1n4r h SER 179 Ca 0.16 0.01 -0.07 0.00 -0.84 0.00 0.00 61.79 61.05 1n4r h SER 179 Cb -0.00 -0.11 -0.03 0.00 0.14 0.00 0.00 62.40 62.39 1n4r h SER 179 CO -0.07 0.39 0.18 0.00 -1.14 0.00 0.00 176.83 176.19 1n4r h ILE 181 N 1.05 0.89 -0.88 0.00 2.04 -0.81 -0.47 117.51 119.34 1n4r h ILE 181 Ca 0.22 -0.34 0.08 0.00 1.00 0.00 0.00 64.86 65.82 1n4r h ILE 181 Cb 0.36 1.10 -0.07 0.00 -0.74 0.00 0.00 36.82 37.47 1n4r h ILE 181 CO 0.00 0.08 0.54 0.00 0.00 0.00 0.00 178.15 178.77 1n4r h TYR 183 N 0.94 0.26 -0.55 0.00 3.20 -0.99 -0.35 116.97 119.48 1n4r h TYR 183 Ca 0.41 -0.02 -0.11 0.00 3.14 0.00 0.00 58.73 62.14 1n4r h TYR 183 Cb 0.27 -0.08 -0.02 0.00 1.54 0.00 0.00 36.73 38.45 1n4r h TYR 183 CO -0.03 0.35 -0.07 0.52 -1.64 0.00 0.00 178.16 177.29 1n4r h MET 184 N 0.09 1.02 -0.05 1.82 2.86 -0.67 -0.94 114.93 119.07 1n4r h MET 184 Ca 0.05 -0.35 0.00 0.00 -2.06 0.00 0.00 59.70 57.34 1n4r h MET 184 Cb 0.21 -0.08 0.00 0.00 0.06 0.00 0.00 31.60 31.79 1n4r h MET 184 CO -0.00 1.04 0.00 1.28 1.06 0.00 0.00 176.91 180.28 1n4r n LEU 185 N -4.16 0.39 -4.26 1.22 4.77 -0.19 -4.90 117.00 109.87 1n4r n LEU 185 Ca 0.02 -0.17 -0.30 0.00 -0.03 0.00 0.00 56.01 55.53 1n4r n LEU 185 Cb 0.38 -0.03 -0.08 0.00 -2.33 0.00 0.00 43.42 41.35 1n4r n LEU 185 CO 0.45 0.08 -0.43 -3.20 -1.33 0.00 0.00 177.39 172.97 1n4r n ASN 186 N -0.48 0.65 -3.38 -1.43 5.15 -0.36 -4.93 115.26 110.48 1n4r n ASN 186 Ca 0.12 -1.23 -0.01 0.00 -0.60 0.00 0.00 54.58 52.86 1n4r n ASN 186 Cb 0.11 -1.87 -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 -0.13 1.20 3.84 -0.28 -5.02 114.94 109.25 1n4r s ASN 187 Ca 0.02 0.99 0.08 0.00 0.21 0.00 0.00 52.86 54.17 1n4r s ASN 187 Cb -0.01 1.95 0.47 0.00 -0.55 0.00 0.00 41.25 43.11 1n4r s ASN 187 CO 0.98 -0.25 1.22 0.79 -2.79 0.00 0.00 177.10 177.05 1n4r n TRP 188 N 5.42 1.17 0.94 0.43 7.02 -1.26 -3.98 117.44 127.17 1n4r n TRP 188 Ca -0.05 -0.41 0.10 0.00 -1.02 0.00 0.00 57.50 56.12 1n4r n TRP 188 Cb 0.50 -0.32 0.51 0.00 -2.42 0.00 0.00 31.31 29.58 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 0.38 0.00 0.10 -0.99 3.41 -1.26 -2.72 113.62 112.53 1n4r n SER 189 Ca 0.16 0.09 0.11 0.00 -0.26 0.00 0.00 58.87 58.97 1n4r n SER 189 Cb 0.77 -0.33 0.45 0.00 -0.26 0.00 0.00 64.21 64.85 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 0.53 -1.31 3.31 5.00 0.00 -1.26 -4.83 105.19 106.63 1n4r n GLY 190 Ca 0.09 0.03 -0.09 0.00 0.00 0.00 0.00 46.02 46.05 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 -3.21 1.05 -0.94 1.61 0.23 -1.10 -2.57 119.30 114.37 1n4r s MET 191 Ca 0.06 -0.98 -0.15 0.00 -1.03 0.00 0.00 55.69 53.59 1n4r s MET 191 Cb 0.10 0.40 0.18 0.00 -1.53 0.00 0.00 34.83 33.98 1n4r s MET 191 CO 0.41 -0.38 1.03 0.34 -2.03 0.00 0.00 175.02 174.38 1n4r s ASP 192 N -2.89 6.80 0.36 -1.18 3.68 -1.26 -4.90 116.67 117.27 1n4r s ASP 192 Ca 0.09 -2.54 0.13 0.00 2.13 0.00 0.00 52.55 52.36 1n4r s ASP 192 Cb 0.03 -2.31 0.95 0.00 -1.45 0.00 0.00 42.92 40.14 1n4r s ASP 192 CO -0.06 -0.77 1.77 -0.03 0.13 0.00 0.00 175.17 176.21 1n4r h MET 193 N 8.05 0.52 -0.46 4.34 1.85 -1.98 -1.21 114.93 126.05 1n4r h MET 193 Ca 0.16 -0.03 -0.00 0.00 -0.61 0.00 0.00 59.70 59.21 1n4r h MET 193 Cb 1.00 -0.12 -0.02 0.00 0.43 0.00 0.00 31.60 32.89 1n4r h MET 193 CO 0.98 0.35 0.27 -0.22 -0.40 0.00 0.00 176.91 177.89 1n4r h LYS 194 N 0.54 0.62 -0.30 0.39 3.64 -2.00 -0.68 116.57 118.79 1n4r h LYS 194 Ca 0.59 -0.06 -0.13 0.00 -1.27 0.00 0.00 60.65 59.78 1n4r h LYS 194 Cb 1.24 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.92 1n4r h LYS 194 CO -0.35 0.46 -0.34 0.87 -2.27 0.00 0.00 179.45 177.82 1n4r h LYS 195 N 0.61 0.67 -0.34 1.90 1.57 -1.62 -2.04 116.57 117.32 1n4r h LYS 195 Ca 0.16 -0.32 -0.02 0.00 -1.87 0.00 0.00 60.65 58.61 1n4r h LYS 195 Cb -0.00 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.29 1n4r h LYS 195 CO -0.03 0.92 0.13 0.00 -0.57 0.00 0.00 179.45 179.90 1n4r h ALA 196 N 1.06 0.44 -1.00 3.86 0.00 -1.07 -1.57 119.26 120.97 1n4r h ALA 196 Ca 0.06 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 54.85 1n4r h ALA 196 Cb 0.85 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 18.46 1n4r h ALA 196 CO 0.07 0.04 0.67 0.82 0.00 0.00 0.00 179.25 180.85 1n4r h ILE 197 N 0.40 1.25 -0.55 0.00 2.04 -1.02 -1.12 117.51 118.51 1n4r h ILE 197 Ca 0.11 -0.46 0.01 0.00 1.00 0.00 0.00 64.86 65.52 1n4r h ILE 197 Cb 0.19 -0.22 -0.03 0.00 -0.74 0.00 0.00 36.82 36.02 1n4r h ILE 197 CO -0.01 0.25 0.35 -1.28 0.00 0.00 0.00 178.15 177.46 1n4r h SER 198 N 1.35 0.60 -0.40 1.72 0.87 -1.01 -0.76 113.55 115.93 1n4r h SER 198 Ca 0.37 -0.01 0.02 0.00 -1.23 0.00 0.00 61.79 60.94 1n4r h SER 198 Cb -0.14 -0.14 -0.03 0.00 -0.44 0.00 0.00 62.40 61.65 1n4r h SER 198 CO -0.08 0.43 0.23 0.22 -0.53 0.00 0.00 176.83 177.10 1n4r h TYR 199 N 0.71 0.43 -0.73 2.24 3.20 -0.27 -0.64 116.97 121.91 1n4r h TYR 199 Ca 0.21 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.08 1n4r h TYR 199 Cb -0.05 -0.14 -0.03 0.00 1.54 0.00 0.00 36.73 38.05 1n4r h TYR 199 CO -0.04 0.25 0.42 0.82 -1.64 0.00 0.00 178.16 177.97 1n4r h ILE 200 N 0.47 1.21 -0.21 1.81 2.04 -0.80 -2.52 117.51 119.52 1n4r h ILE 200 Ca 0.16 -0.49 -0.02 0.00 1.00 0.00 0.00 64.86 65.50 1n4r h ILE 200 Cb 0.01 0.22 -0.01 0.00 -0.74 0.00 0.00 36.82 36.30 1n4r h ILE 200 CO -0.07 0.23 0.06 0.03 0.00 0.00 0.00 178.15 178.39 1n4r h ARG 201 N 1.00 0.33 0.00 2.37 3.08 -0.75 -2.71 114.38 117.70 1n4r h ARG 201 Ca 0.26 -0.08 0.00 0.00 0.07 0.00 0.00 59.98 60.23 1n4r h ARG 201 Cb -0.01 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.00 1n4r h ARG 201 CO -0.05 0.44 0.00 0.54 -1.07 0.00 0.00 179.97 179.83 1n4r n ARG 202 N -4.77 0.01 0.00 0.04 1.74 -0.28 -1.67 116.66 111.72 1n4r n ARG 202 Ca -0.04 0.45 0.12 0.00 -0.77 0.00 0.00 57.85 57.62 1n4r n ARG 202 Cb 0.16 -1.53 0.30 0.00 -1.02 0.00 0.00 32.46 30.37 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 -1.55 1.04 -4.72 0.55 3.41 -0.98 -3.97 113.62 107.39 1n4r n SER 203 Ca 0.01 -0.85 -0.42 0.00 -0.26 0.00 0.00 58.87 57.35 1n4r n SER 203 Cb 0.04 0.22 -0.03 0.00 -0.26 0.00 0.00 64.21 64.19 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 -2.60 4.31 0.65 4.33 0.00 -0.67 -1.38 119.30 123.93 1n4r s MET 204 Ca 0.21 2.15 -0.03 0.00 0.00 0.00 0.00 55.69 58.01 1n4r s MET 204 Cb 0.19 -3.20 0.06 0.00 0.00 0.00 0.00 34.83 31.87 1n4r s MET 204 CO 0.57 -0.43 0.92 0.45 0.00 0.00 0.00 175.02 176.53 1n4r s SER 205 N 0.87 4.94 0.53 1.11 0.15 -0.07 -4.88 113.70 116.35 1n4r s SER 205 Ca 0.63 0.20 0.30 0.00 0.70 0.00 0.00 55.95 57.78 1n4r s SER 205 Cb -0.39 -0.92 1.50 0.00 -1.71 0.00 0.00 66.02 64.50 1n4r s SER 205 CO 0.34 -1.45 2.07 0.10 1.20 0.00 0.00 173.24 175.50 1n4r h TYR 206 N -0.34 0.00 -0.16 3.44 -0.00 -1.95 -0.28 116.97 117.68 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 0.29 0.10 0.00 -0.40 -0.00 0.00 0.00 178.16 178.15 1n4r n ASP 207 N -3.48 1.75 0.00 0.10 3.85 -1.26 -4.95 116.55 112.55 1n4r n ASP 207 Ca -0.01 -1.71 0.00 0.00 -0.71 0.00 0.00 54.79 52.36 1n4r n ASP 207 Cb 0.25 -0.10 0.00 0.00 -1.35 0.00 0.00 41.12 39.91 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 0.37 0.00 -4.55 -1.12 3.02 -0.12 -4.79 115.26 108.08 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 0.00 0.13 0.00 -0.61 0.00 0.00 39.78 39.64 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 -1.94 1.76 -0.07 7.41 0.00 -1.26 -4.21 107.32 109.01 1n4r s GLY 209 Ca 0.00 -1.61 -0.01 0.00 0.00 0.00 0.00 44.72 43.10 1n4r s GLY 209 CO 0.00 -1.00 -0.01 1.08 0.00 0.00 0.00 173.10 173.17 1n4r s LEU 210 N -5.31 3.49 0.52 0.66 1.02 -1.26 -0.89 118.68 116.92 1n4r s LEU 210 Ca 0.68 0.09 0.07 0.00 0.02 0.00 0.00 54.13 54.99 1n4r s LEU 210 Cb -0.05 -1.83 0.04 0.00 0.02 0.00 0.00 46.19 44.37 1n4r s LEU 210 CO 0.46 0.36 0.47 0.00 0.02 0.00 0.00 176.35 177.66 1n4r s ALA 211 N -0.91 4.40 0.43 4.21 0.00 -0.48 -0.95 121.76 128.47 1n4r s ALA 211 Ca 0.14 -1.57 0.28 0.00 0.00 0.00 0.00 51.96 50.82 1n4r s ALA 211 Cb -0.11 -0.92 1.51 0.00 0.00 0.00 0.00 23.12 23.60 1n4r s ALA 211 CO 0.03 -0.48 2.10 1.96 0.00 0.00 0.00 175.76 179.37 1n4r h GLN 212 N 0.70 0.00 -2.09 0.00 1.08 -1.88 -3.45 115.11 109.47 1n4r h GLN 212 Ca -0.36 0.00 0.21 0.00 -1.45 0.00 0.00 58.65 57.05 1n4r h GLN 212 Cb 1.29 0.00 -0.10 0.00 -0.05 0.00 0.00 27.48 28.62 1n4r h GLN 212 CO 0.54 0.10 0.58 0.20 -0.95 0.00 0.00 178.83 179.30 1n4r s GLY 213 N -4.18 -0.30 0.22 3.46 0.00 -1.26 -2.08 107.32 103.17 1n4r s GLY 213 Ca -0.03 0.40 -0.32 0.00 0.00 0.00 0.00 44.72 44.77 1n4r s GLY 213 CO 0.58 0.08 1.34 0.00 0.00 0.00 0.00 173.10 175.10 1n4r n ALA 214 N -0.44 0.61 0.00 3.20 0.00 -1.26 -2.22 120.51 120.41 1n4r n ALA 214 Ca -0.07 0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.80 1n4r n ALA 214 Cb 0.61 -2.21 0.00 0.00 0.00 0.00 0.00 19.45 17.85 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 2.13 2.97 3.80 0.00 0.00 -1.26 -5.02 105.19 107.81 1n4r n GLY 215 Ca 0.13 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.85 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 2.57 0.09 0.99 2.01 -0.94 -4.99 118.68 118.41 1n4r s LEU 216 Ca 0.00 1.28 -0.31 0.00 0.01 0.00 0.00 54.13 55.12 1n4r s LEU 216 Cb 0.00 -3.88 -0.08 0.00 0.01 0.00 0.00 46.19 42.24 1n4r s LEU 216 CO 0.00 -2.00 1.50 -0.70 1.01 0.00 0.00 176.35 176.16 1n4r s GLU 217 N -5.17 4.26 0.52 1.70 2.12 -1.26 -4.69 118.70 116.18 1n4r s GLU 217 Ca 0.61 2.19 -0.22 0.00 0.36 0.00 0.00 54.97 57.90 1n4r s GLU 217 Cb -0.14 -3.40 -0.06 0.00 0.26 0.00 0.00 34.13 30.79 1n4r s GLU 217 CO 0.54 -0.59 1.35 -1.54 -0.54 0.00 0.00 175.26 174.48 1n4r s SER 218 N 1.64 5.46 0.01 -1.70 1.04 -1.26 -4.41 113.70 114.48 1n4r s SER 218 Ca 0.68 2.74 -0.07 0.00 0.48 0.00 0.00 55.95 59.78 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 -1.44 0.14 -2.28 0.98 0.00 0.00 173.24 170.94 1n4r s HIS 219 N -1.31 0.05 0.28 5.02 2.46 -0.13 -4.85 115.29 116.81 1n4r s HIS 219 Ca 0.69 -0.17 -0.02 0.00 0.47 0.00 0.00 55.06 56.04 1n4r s HIS 219 Cb -0.40 -0.05 0.44 0.00 -0.13 0.00 0.00 32.58 32.44 1n4r s HIS 219 CO 0.48 -0.31 1.91 0.78 -2.47 0.00 0.00 174.74 175.13 1n4r h GLY 220 N 4.16 1.38 0.77 1.59 0.00 -0.86 -0.63 103.07 109.47 1n4r h GLY 220 Ca -0.31 -0.45 -0.03 0.00 0.00 0.00 0.00 47.33 46.54 1n4r h GLY 220 CO 0.42 0.36 -0.02 -1.33 0.00 0.00 0.00 176.54 175.97 1n4r h GLY 221 N 1.14 0.30 1.97 4.60 0.00 -1.91 -2.06 103.07 107.10 1n4r h GLY 221 Ca 0.39 -0.24 -0.11 0.00 0.00 0.00 0.00 47.33 47.37 1n4r h GLY 221 CO -0.13 0.22 -0.53 1.48 0.00 0.00 0.00 176.54 177.57 1n4r h SER 222 N -0.02 0.03 -0.54 0.19 4.64 -1.78 -1.35 113.55 114.73 1n4r h SER 222 Ca 0.04 -0.02 -0.11 0.00 -0.47 0.00 0.00 61.79 61.24 1n4r h SER 222 Cb 0.43 -0.01 -0.02 0.00 -0.31 0.00 0.00 62.40 62.49 1n4r h SER 222 CO 0.01 0.56 -0.08 0.74 -0.87 0.00 0.00 176.83 177.19 1n4r h THR 223 N 0.02 1.27 0.01 2.95 2.02 -1.07 0.42 112.91 118.52 1n4r h THR 223 Ca -0.00 -1.23 -0.00 0.00 0.77 0.00 0.00 66.41 65.95 1n4r h THR 223 Cb 0.95 0.96 0.00 0.00 -1.74 0.00 0.00 68.15 68.31 1n4r h THR 223 CO 0.07 0.43 -0.00 0.15 0.37 0.00 0.00 175.52 176.54 1n4r h PHE 224 N 0.88 -0.01 -0.64 3.16 3.57 -1.06 -0.80 116.94 122.05 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 0.64 0.00 -0.06 0.00 2.79 0.00 0.00 35.95 39.33 1n4r h PHE 224 CO 0.05 0.12 0.33 0.00 -2.23 0.00 0.00 178.31 176.58 1n4r h GLY 226 N 0.60 -0.63 1.00 0.00 0.00 -0.78 -1.44 103.07 101.82 1n4r h GLY 226 Ca 0.29 0.23 0.00 0.00 0.00 0.00 0.00 47.33 47.86 1n4r h GLY 226 CO -0.21 -0.23 0.41 -2.22 0.00 0.00 0.00 176.54 174.29 1n4r h ILE 227 N -0.87 1.17 -0.67 2.60 1.08 -1.05 -2.07 117.51 117.70 1n4r h ILE 227 Ca -0.06 -0.33 -0.06 0.00 -0.39 0.00 0.00 64.86 64.03 1n4r h ILE 227 Cb 0.57 0.26 -0.03 0.00 -3.07 0.00 0.00 36.82 34.55 1n4r h ILE 227 CO 0.10 0.17 0.20 0.00 -0.69 0.00 0.00 178.15 177.92 1n4r h ALA 228 N 1.22 1.08 -0.05 1.87 0.00 -0.84 -1.14 119.26 121.40 1n4r h ALA 228 Ca 0.23 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1n4r h ALA 228 Cb -0.08 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.45 1n4r h ALA 228 CO -0.05 0.62 0.03 0.77 0.00 0.00 0.00 179.25 180.62 1n4r h SER 229 N 1.00 0.05 -0.70 0.00 0.02 -0.87 0.74 113.55 113.79 1n4r h SER 229 Ca 0.22 -0.02 0.02 0.00 -0.84 0.00 0.00 61.79 61.17 1n4r h SER 229 Cb 0.30 -0.01 -0.04 0.00 0.14 0.00 0.00 62.40 62.79 1n4r h SER 229 CO -0.01 0.06 0.45 -0.07 -1.14 0.00 0.00 176.83 176.12 1n4r h LEU 230 N 0.04 0.75 -0.59 5.07 3.38 -1.13 -1.14 115.31 121.70 1n4r h LEU 230 Ca 0.02 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 1n4r h LEU 230 Cb 0.01 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.57 1n4r h LEU 230 CO -0.00 0.53 0.31 0.00 0.09 0.00 0.00 178.44 179.37 1n4r h LEU 232 N 0.80 0.23 0.00 0.00 4.07 -0.22 0.17 115.31 120.35 1n4r h LEU 232 Ca 0.21 -0.01 0.00 0.00 0.08 0.00 0.00 57.88 58.16 1n4r h LEU 232 Cb 0.07 -0.06 0.00 0.00 1.08 0.00 0.00 40.66 41.75 1n4r h LEU 232 CO -0.03 0.18 -0.24 0.23 -1.08 0.00 0.00 178.44 177.51 1n4r n MET 233 N -4.49 0.12 -3.01 1.13 2.81 -0.49 -4.94 117.12 108.25 1n4r n MET 233 Ca -0.00 0.07 -0.12 0.00 -1.81 0.00 0.00 57.70 55.84 1n4r n MET 233 Cb 0.09 -1.61 0.05 0.00 -0.71 0.00 0.00 33.22 31.04 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 1.42 -0.04 0.47 3.03 0.00 0.58 -4.95 105.19 105.69 1n4r n GLY 234 Ca 0.06 -0.10 0.01 0.00 0.00 0.00 0.00 46.02 45.98 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 -3.12 0.14 0.23 1.61 5.02 -0.35 -4.91 118.16 116.78 1n4r n LYS 235 Ca -0.11 -1.19 -0.17 0.00 -2.02 0.00 0.00 58.31 54.82 1n4r n LYS 235 Cb 0.58 -0.60 -0.09 0.00 -0.02 0.00 0.00 35.03 34.90 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 0.02 -1.36 -1.13 -0.35 6.46 -1.91 -0.50 115.31 116.54 1n4r h LEU 236 Ca -0.00 0.12 0.13 0.00 -0.12 0.00 0.00 57.88 58.01 1n4r h LEU 236 Cb 1.36 0.46 -0.08 0.00 -0.73 0.00 0.00 40.66 41.68 1n4r h LEU 236 CO 0.00 -0.60 0.60 -0.33 -0.62 0.00 0.00 178.44 177.50 1n4r h GLU 237 N -0.88 0.84 -0.18 1.25 4.39 -1.91 -1.39 114.58 116.70 1n4r h GLU 237 Ca -0.04 -0.05 -0.16 0.00 0.34 0.00 0.00 59.36 59.45 1n4r h GLU 237 Cb 0.79 -0.19 -0.01 0.00 -0.10 0.00 0.00 28.75 29.24 1n4r h GLU 237 CO -0.12 0.55 -0.53 1.49 -1.16 0.00 0.00 179.01 179.24 1n4r h GLU 238 N 0.86 0.53 0.22 2.33 4.81 -1.83 -3.34 114.58 118.17 1n4r h GLU 238 Ca 0.47 -0.33 -0.34 0.00 -0.13 0.00 0.00 59.36 59.04 1n4r h GLU 238 Cb 0.58 0.03 0.02 0.00 0.63 0.00 0.00 28.75 30.02 1n4r h GLU 238 CO -0.24 0.93 -1.59 0.28 -0.73 0.00 0.00 179.01 177.66 1n4r h VAL 239 N 0.41 1.14 -3.74 0.32 2.07 -0.43 -3.46 116.25 112.56 1n4r h VAL 239 Ca 0.01 -2.64 -0.68 0.00 0.82 0.00 0.00 66.70 64.21 1n4r h VAL 239 Cb 1.07 2.92 -0.23 0.00 -1.52 0.00 0.00 31.29 33.53 1n4r h VAL 239 CO 0.10 0.83 -0.75 -0.36 0.02 0.00 0.00 177.57 177.42 1n4r s PHE 240 N -2.59 2.79 0.94 1.57 2.99 -0.59 -5.08 117.98 118.01 1n4r s PHE 240 Ca -0.12 -0.25 -0.12 0.00 0.00 0.00 0.00 56.93 56.44 1n4r s PHE 240 Cb 0.05 -1.72 0.15 0.00 0.00 0.00 0.00 43.02 41.51 1n4r s PHE 240 CO 0.91 0.11 1.11 -1.54 -0.00 0.00 0.00 175.22 175.80 1n4r s SER 241 N -0.42 3.17 0.25 1.36 1.04 -1.26 -4.62 113.70 113.22 1n4r s SER 241 Ca 0.05 1.16 -0.05 0.00 0.48 0.00 0.00 55.95 57.59 1n4r s SER 241 Cb -0.12 -1.81 0.27 0.00 0.10 0.00 0.00 66.02 64.47 1n4r s SER 241 CO 0.02 -2.79 1.85 -0.08 0.98 0.00 0.00 173.24 173.23 1n4r h GLU 242 N -1.66 1.14 -0.58 4.02 4.81 -1.99 0.59 114.58 120.92 1n4r h GLU 242 Ca -0.52 -0.16 -0.09 0.00 -0.13 0.00 0.00 59.36 58.46 1n4r h GLU 242 Cb 1.32 -0.21 -0.02 0.00 0.63 0.00 0.00 28.75 30.47 1n4r h GLU 242 CO 0.59 0.87 0.00 -0.22 -0.73 0.00 0.00 179.01 179.52 1n4r h LYS 243 N 1.14 1.03 -0.27 1.92 3.64 -1.99 -1.11 116.57 120.92 1n4r h LYS 243 Ca 0.28 -0.33 -0.02 0.00 -1.27 0.00 0.00 60.65 59.32 1n4r h LYS 243 Cb 0.09 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 31.81 1n4r h LYS 243 CO -0.04 1.01 0.10 0.93 -2.27 0.00 0.00 179.45 179.18 1n4r h GLU 244 N 0.92 0.40 -0.38 1.90 5.08 -1.75 -1.88 114.58 118.87 1n4r h GLU 244 Ca 0.17 -0.08 -0.02 0.00 -1.00 0.00 0.00 59.36 58.42 1n4r h GLU 244 Cb 0.55 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.71 1n4r h GLU 244 CO 0.03 0.45 0.13 -0.07 -1.00 0.00 0.00 179.01 178.55 1n4r h LEU 245 N 0.28 0.49 -0.59 1.33 3.38 -0.76 -0.99 115.31 118.46 1n4r h LEU 245 Ca 0.09 -0.05 -0.08 0.00 0.09 0.00 0.00 57.88 57.93 1n4r h LEU 245 Cb 0.20 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 1n4r h LEU 245 CO -0.01 0.47 0.07 0.78 0.09 0.00 0.00 178.44 179.84 1n4r h ASN 246 N 0.54 0.96 -0.52 -0.43 -0.26 -0.85 0.06 115.58 115.08 1n4r h ASN 246 Ca 0.13 -0.27 -0.06 0.00 -0.56 0.00 0.00 56.30 55.54 1n4r h ASN 246 Cb 0.14 -0.25 -0.02 0.00 -1.06 0.00 0.00 38.32 37.13 1n4r h ASN 246 CO -0.01 0.99 0.09 0.03 -1.06 0.00 0.00 177.43 177.47 1n4r h ARG 247 N 0.89 0.86 -0.32 0.81 3.08 -0.62 -1.52 114.38 117.55 1n4r h ARG 247 Ca 0.17 -0.23 -0.02 0.00 0.07 0.00 0.00 59.98 59.98 1n4r h ARG 247 Cb 0.46 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.39 1n4r h ARG 247 CO 0.02 0.84 0.13 0.82 -1.07 0.00 0.00 179.97 180.70 1n4r h ILE 248 N 0.74 1.18 -0.64 2.04 2.04 -1.02 -1.57 117.51 120.28 1n4r h ILE 248 Ca 0.16 -0.57 0.08 0.00 1.00 0.00 0.00 64.86 65.54 1n4r h ILE 248 Cb 0.39 0.96 -0.07 0.00 -0.74 0.00 0.00 36.82 37.36 1n4r h ILE 248 CO 0.01 0.20 0.29 0.11 0.00 0.00 0.00 178.15 178.76 1n4r h LYS 249 N 0.37 0.50 -0.61 2.37 1.57 -0.78 -0.61 116.57 119.38 1n4r h LYS 249 Ca 0.11 -0.03 0.01 0.00 -1.87 0.00 0.00 60.65 58.86 1n4r h LYS 249 Cb 0.19 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.35 1n4r h LYS 249 CO -0.01 0.33 0.40 -0.09 -0.57 0.00 0.00 179.45 179.52 1n4r h ARG 250 N 0.52 0.81 -0.66 3.15 9.65 -0.91 -0.06 114.38 126.87 1n4r h ARG 250 Ca 0.31 -0.05 -0.03 0.00 -1.10 0.00 0.00 59.98 59.11 1n4r h ARG 250 Cb 0.33 -0.18 -0.03 0.00 -1.39 0.00 0.00 29.97 28.69 1n4r h ARG 250 CO -0.26 0.54 0.31 2.35 2.80 0.00 0.00 179.97 185.71 1n4r h TRP 251 N 0.83 0.97 0.08 2.20 7.01 -0.39 -2.45 115.95 124.20 1n4r h TRP 251 Ca 0.22 -0.05 -0.00 0.00 2.11 0.00 0.00 58.89 61.17 1n4r h TRP 251 Cb -0.09 -0.30 0.00 0.00 -2.10 0.00 0.00 29.16 26.67 1n4r h TRP 251 CO -0.03 0.73 -0.04 0.00 -2.79 0.00 0.00 178.44 176.31 1n4r h ILE 253 N -0.46 0.00 0.00 0.00 2.10 -1.01 -0.75 117.51 117.39 1n4r h ILE 253 Ca -0.01 -0.23 0.00 0.00 1.08 0.00 0.00 64.86 65.70 1n4r h ILE 253 Cb 0.39 1.11 0.00 0.00 -1.09 0.00 0.00 36.82 37.23 1n4r h ILE 253 CO 0.02 0.00 0.00 0.23 -1.08 0.00 0.00 178.15 177.32 1n4r n MET 254 N -2.81 0.23 0.14 2.19 2.81 -0.93 -3.13 117.12 115.63 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 0.18 -1.50 0.39 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 -6.34 0.03 2.47 -1.21 -3.45 114.38 105.89 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 0.47 -1.14 0.56 0.00 0.00 179.97 179.86 1n4r s GLN 256 N -3.19 4.49 -0.08 0.04 0.74 -1.18 -2.48 119.66 118.00 1n4r s GLN 256 Ca 0.08 1.41 0.01 0.00 0.05 0.00 0.00 55.36 56.92 1n4r s GLN 256 Cb 0.10 -3.50 -0.06 0.00 1.10 0.00 0.00 33.01 30.66 1n4r s GLN 256 CO 0.58 -0.18 -0.06 1.04 -0.55 0.00 0.00 175.29 176.12 1n4r n GLN 257 N 4.43 0.64 0.08 1.67 1.13 -1.26 -4.97 117.38 119.11 1n4r n GLN 257 Ca 0.07 0.04 0.00 0.00 -1.94 0.00 0.00 57.00 55.17 1n4r n GLN 257 Cb 0.50 -1.17 0.00 0.00 0.11 0.00 0.00 30.24 29.68 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 -2.66 -1.50 -0.43 1.08 0.23 -1.26 -5.07 115.26 105.65 1n4r n ASN 258 Ca -0.14 0.48 0.00 0.00 -0.53 0.00 0.00 54.58 54.39 1n4r n ASN 258 Cb 0.67 1.63 0.00 0.00 -2.08 0.00 0.00 39.78 40.00 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 1.65 3.23 4.83 0.00 -1.26 -2.23 105.19 110.08 1n4r n GLY 259 Ca 0.00 -1.91 -0.24 0.00 0.00 0.00 0.00 46.02 43.87 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 2.16 1.66 0.32 1.61 1.51 -1.26 -4.44 117.35 118.91 1n4r s TYR 260 Ca 0.00 -0.37 0.08 0.00 -1.01 0.00 0.00 57.07 55.77 1n4r s TYR 260 Cb 0.00 -0.98 -0.04 0.00 -0.11 0.00 0.00 41.96 40.83 1n4r s TYR 260 CO 0.00 0.09 0.18 -3.38 -1.11 0.00 0.00 175.55 171.33 1n4r s HIS 261 N -0.84 2.81 -0.92 2.71 -3.43 -1.04 -0.70 115.29 113.89 1n4r s HIS 261 Ca 0.06 -0.31 0.24 0.00 -0.80 0.00 0.00 55.06 54.25 1n4r s HIS 261 Cb -0.09 -1.62 0.27 0.00 -1.43 0.00 0.00 32.58 29.72 1n4r s HIS 261 CO 0.02 0.34 1.24 0.41 -2.00 0.00 0.00 174.74 174.75 1n4r n GLY 262 N -1.20 -1.20 3.32 -1.38 0.00 -1.26 -4.86 105.19 98.61 1n4r n GLY 262 Ca -0.04 -0.41 -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 0.78 0.44 1.61 0.52 -1.26 -0.18 118.95 117.81 1n4r s ARG 263 Ca 0.09 -0.05 -0.24 0.00 -0.52 0.00 0.00 55.73 55.01 1n4r s ARG 263 Cb 0.16 0.35 -0.10 0.00 0.52 0.00 0.00 34.95 35.89 1n4r s ARG 263 CO 0.75 -0.22 1.02 -2.30 0.02 0.00 0.00 175.30 174.57 1n4r n PRO 264 N 1.19 1.35 -2.47 3.54 -0.02 -1.26 -2.43 135.00 134.91 1n4r n PRO 264 Ca -0.21 0.49 -0.20 0.00 -2.02 0.00 0.00 63.50 61.56 1n4r n PRO 264 Cb 0.56 -2.08 -0.00 0.00 -0.02 0.00 0.00 33.50 31.96 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 -5.75 -4.26 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 55.25 1n4r n ASN 265 Cb 0.40 -4.74 -0.13 0.00 -1.02 0.00 0.00 39.78 34.29 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 -5.09 1.21 0.57 3.52 -0.14 -1.02 -5.13 119.74 113.66 1n4r s LYS 266 Ca 0.04 -1.05 -0.20 0.00 -1.36 0.00 0.00 55.97 53.40 1n4r s LYS 266 Cb -0.02 -1.40 -0.04 0.00 -1.68 0.00 0.00 37.83 34.69 1n4r s LYS 266 CO 0.05 0.34 1.24 -1.25 -0.76 0.00 0.00 175.35 174.97 1n4r s PRO 267 N -1.59 3.08 0.82 -1.68 0.04 -1.26 -4.76 135.00 129.66 1n4r s PRO 267 Ca 0.06 1.92 -0.11 0.00 0.04 0.00 0.00 61.00 62.92 1n4r s PRO 267 Cb -0.09 -2.05 0.09 0.00 0.04 0.00 0.00 34.50 32.48 1n4r s PRO 267 CO 0.03 -1.14 1.12 0.14 0.04 0.00 0.00 177.00 177.19 1n4r s VAL 268 N -1.51 2.72 -0.14 -0.36 -7.23 -1.26 -4.62 120.40 108.00 1n4r s VAL 268 Ca 0.75 0.25 -0.06 0.00 -1.81 0.00 0.00 61.98 61.10 1n4r s VAL 268 Cb -0.33 -2.54 0.06 0.00 0.56 0.00 0.00 36.38 34.13 1n4r s VAL 268 CO 0.37 -0.30 0.31 -0.62 -0.31 0.00 0.00 175.10 174.55 1n4r s ASP 269 N -2.97 -0.17 0.28 4.85 -1.08 0.12 -4.84 116.67 112.87 1n4r s ASP 269 Ca 0.65 0.68 -0.05 0.00 -0.52 0.00 0.00 52.55 53.31 1n4r s ASP 269 Cb -0.20 0.67 0.54 0.00 -1.46 0.00 0.00 42.92 42.46 1n4r s ASP 269 CO 0.55 -0.20 1.52 0.41 0.52 0.00 0.00 175.17 177.98 1n4r n THR 270 N 4.64 -0.41 0.32 1.71 -1.04 -0.97 -0.69 114.28 117.84 1n4r n THR 270 Ca -0.18 2.21 0.20 0.00 -2.04 0.00 0.00 64.05 64.23 1n4r n THR 270 Cb 0.52 -3.11 1.10 0.00 -1.82 0.00 0.00 70.33 67.02 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 -1.15 -1.88 116.97 113.99 1n4r h TYR 272 Ca 0.01 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 -0.05 0.77 -1.05 0.00 0.00 178.16 177.83 1n4r h SER 273 N 0.00 0.00 0.00 3.88 0.02 -1.12 0.89 113.55 117.22 1n4r h SER 273 Ca 0.00 0.00 -0.21 0.00 -0.84 0.00 0.00 61.79 60.74 1n4r h SER 273 Cb 0.48 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.99 1n4r h SER 273 CO 0.00 0.05 -1.51 0.33 -1.14 0.00 0.00 176.83 174.56 1n4r n PHE 274 N -3.68 0.34 -0.17 3.45 7.35 -0.75 -2.97 117.46 121.03 1n4r n PHE 274 Ca -0.02 0.15 -0.09 0.00 -0.76 0.00 0.00 57.45 56.73 1n4r n PHE 274 Cb 0.14 -0.83 -0.04 0.00 0.35 0.00 0.00 39.48 39.11 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 -1.22 0.15 -5.13 -0.00 -1.32 0.74 115.95 108.17 1n4r h TRP 275 Ca -0.31 0.07 -0.21 0.00 -0.00 0.00 0.00 58.89 58.44 1n4r h TRP 275 Cb 1.19 0.61 0.02 0.00 -0.00 0.00 0.00 29.16 30.98 1n4r h TRP 275 CO -0.18 -0.43 -0.91 0.28 -0.00 0.00 0.00 178.44 177.20 1n4r h VAL 276 N -0.26 1.47 -0.57 1.49 2.07 -1.06 -3.14 116.25 116.25 1n4r h VAL 276 Ca 0.17 -2.53 0.07 0.00 0.82 0.00 0.00 66.70 65.23 1n4r h VAL 276 Cb 0.57 3.13 -0.06 0.00 -1.52 0.00 0.00 31.29 33.41 1n4r h VAL 276 CO -0.63 0.73 0.25 1.23 0.02 0.00 0.00 177.57 179.16 1n4r h GLY 277 N -0.26 0.79 1.43 2.17 0.00 -1.39 0.26 103.07 106.08 1n4r h GLY 277 Ca -0.16 -0.15 -0.04 0.00 0.00 0.00 0.00 47.33 46.99 1n4r h GLY 277 CO 0.17 0.04 0.16 0.00 0.00 0.00 0.00 176.54 176.91 1n4r h ALA 278 N 1.35 1.35 -0.32 3.60 0.00 0.39 -0.34 119.26 125.30 1n4r h ALA 278 Ca 0.27 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 54.95 1n4r h ALA 278 Cb 0.26 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1n4r h ALA 278 CO -0.24 0.47 -0.05 1.15 0.00 0.00 0.00 179.25 180.58 1n4r h THR 279 N 0.72 1.27 -0.71 0.00 2.02 -1.16 -0.27 112.91 114.77 1n4r h THR 279 Ca 0.17 -1.07 -0.00 0.00 0.77 0.00 0.00 66.41 66.27 1n4r h THR 279 Cb 0.21 1.33 -0.03 0.00 -1.74 0.00 0.00 68.15 67.91 1n4r h THR 279 CO -0.01 0.35 0.43 -0.07 0.37 0.00 0.00 175.52 176.59 1n4r h LEU 280 N 0.38 0.84 -0.31 2.58 3.38 -0.54 -0.31 115.31 121.32 1n4r h LEU 280 Ca 0.08 -0.04 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 1n4r h LEU 280 Cb 0.53 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 1n4r h LEU 280 CO 0.03 0.63 0.06 0.50 0.09 0.00 0.00 178.44 179.75 1n4r h LYS 281 N 0.97 0.51 0.00 1.13 1.63 -0.68 -0.93 116.57 119.19 1n4r h LYS 281 Ca 0.26 -0.13 -0.03 0.00 -0.85 0.00 0.00 60.65 59.89 1n4r h LYS 281 Cb -0.06 -0.06 -0.00 0.00 -0.60 0.00 0.00 32.23 31.51 1n4r h LYS 281 CO -0.05 0.59 -0.16 -0.07 -3.45 0.00 0.00 179.45 176.32 1n4r h LEU 282 N 0.34 0.00 -1.07 5.20 3.38 -0.36 -0.77 115.31 122.03 1n4r h LEU 282 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1n4r h LEU 282 Cb 0.32 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.07 1n4r h LEU 282 CO 0.00 0.16 0.00 0.18 0.09 0.00 0.00 178.44 178.87 1n4r n LEU 283 N -4.33 1.58 -2.51 1.67 4.77 -0.19 -4.94 117.00 113.05 1n4r n LEU 283 Ca -0.03 -0.73 -0.21 0.00 -0.03 0.00 0.00 56.01 55.02 1n4r n LEU 283 Cb 0.22 -0.15 -0.00 0.00 -2.33 0.00 0.00 43.42 41.16 1n4r n LEU 283 CO 0.36 0.36 -0.22 0.29 -1.33 0.00 0.00 177.39 176.86 1n4r n LYS 284 N 0.31 -2.26 -0.09 3.23 4.01 -0.29 -4.87 118.16 118.20 1n4r n LYS 284 Ca 0.13 0.97 0.01 0.00 -0.51 0.00 0.00 58.31 58.91 1n4r n LYS 284 Cb 0.28 -5.67 0.02 0.00 -0.51 0.00 0.00 35.03 29.15 1n4r n LYS 284 CO 0.00 0.00 0.00 0.44 -1.11 0.00 0.00 177.40 176.73 1n4r n ILE 285 N -4.06 0.54 0.19 -0.18 -5.35 -0.45 -4.74 119.36 105.30 1n4r n ILE 285 Ca -0.22 -0.58 0.06 0.00 -0.27 0.00 0.00 62.75 61.73 1n4r n ILE 285 Cb 0.67 0.62 0.52 0.00 -1.74 0.00 0.00 39.64 39.71 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 0.11 -0.02 4.28 3.57 -1.80 -1.13 116.94 121.96 1n4r h PHE 286 Ca 0.00 -0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.50 1n4r h PHE 286 Cb 0.91 -0.04 -0.00 0.00 2.79 0.00 0.00 35.95 39.61 1n4r h PHE 286 CO 0.02 0.17 0.10 -0.56 -2.23 0.00 0.00 178.31 175.81 1n4r h GLN 287 N 0.12 0.00 -0.24 1.11 3.07 -1.89 -1.10 115.11 116.18 1n4r h GLN 287 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.77 1n4r h GLN 287 Cb 0.17 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.73 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 -3.15 0.30 -2.24 0.06 0.53 -0.43 -4.93 117.16 107.30 1n4r n TYR 288 Ca -0.02 -0.15 -0.25 0.00 -1.02 0.00 0.00 57.90 56.45 1n4r n TYR 288 Cb 0.17 0.00 0.07 0.00 -1.03 0.00 0.00 39.34 38.55 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 -1.70 2.29 -0.43 -0.72 -4.23 -0.42 -5.02 115.64 105.42 1n4r s THR 289 Ca 0.35 -0.31 -0.22 0.00 -1.18 0.00 0.00 61.69 60.33 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 0.29 0.00 0.75 0.21 -0.54 0.00 0.00 174.62 175.33 1n4r s ASN 290 N -4.53 6.42 0.01 3.99 3.84 -1.26 -4.95 114.94 118.46 1n4r s ASN 290 Ca 0.61 -0.05 -0.23 0.00 0.21 0.00 0.00 52.86 53.40 1n4r s ASN 290 Cb -0.10 -2.37 -0.18 0.00 -0.55 0.00 0.00 41.25 38.05 1n4r s ASN 290 CO 0.44 -0.83 1.28 -0.26 -2.79 0.00 0.00 177.10 174.94 1n4r h PHE 291 N 8.83 0.26 -0.19 0.43 0.05 -1.95 -3.25 116.94 121.13 1n4r h PHE 291 Ca -0.25 -0.09 0.02 0.00 3.82 0.00 0.00 57.97 61.48 1n4r h PHE 291 Cb 1.09 -0.05 -0.02 0.00 2.00 0.00 0.00 35.95 38.96 1n4r h PHE 291 CO 0.78 0.69 0.04 0.93 -0.18 0.00 0.00 178.31 180.57 1n4r h GLU 292 N -0.24 0.11 -0.29 1.51 4.39 -1.97 0.68 114.58 118.78 1n4r h GLU 292 Ca 0.01 -0.01 -0.06 0.00 0.34 0.00 0.00 59.36 59.64 1n4r h GLU 292 Cb 0.66 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 29.27 1n4r h GLU 292 CO 0.03 0.08 -0.08 0.87 -1.16 0.00 0.00 179.01 178.74 1n4r h LYS 293 N 0.12 0.47 0.03 2.33 1.57 -1.85 0.17 116.57 119.40 1n4r h LYS 293 Ca 0.09 -0.12 -0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1n4r h LYS 293 Cb 0.08 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.33 1n4r h LYS 293 CO -0.11 0.55 -0.01 -0.97 -0.57 0.00 0.00 179.45 178.34 1n4r h ASN 294 N 0.44 -0.03 -0.71 0.86 -1.24 -1.07 -1.72 115.58 112.10 1n4r h ASN 294 Ca 0.09 -0.40 0.02 0.00 0.71 0.00 0.00 56.30 56.71 1n4r h ASN 294 Cb 0.41 0.01 -0.04 0.00 0.73 0.00 0.00 38.32 39.43 1n4r h ASN 294 CO 0.02 0.39 0.46 -0.09 -1.29 0.00 0.00 177.43 176.92 1n4r h ARG 295 N -0.46 0.91 -0.70 6.67 2.43 -0.61 -1.25 114.38 121.37 1n4r h ARG 295 Ca -0.00 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.10 1n4r h ARG 295 Cb 0.43 -0.20 -0.03 0.00 -0.42 0.00 0.00 29.97 29.75 1n4r h ARG 295 CO 0.01 0.60 0.39 -0.91 -1.51 0.00 0.00 179.97 178.54 1n4r h ASN 296 N 0.93 0.87 0.19 -3.80 2.35 -0.63 -1.78 115.58 113.70 1n4r h ASN 296 Ca 0.27 -0.09 -0.01 0.00 -0.55 0.00 0.00 56.30 55.92 1n4r h ASN 296 Cb -0.06 -0.22 0.00 0.00 0.05 0.00 0.00 38.32 38.09 1n4r h ASN 296 CO -0.08 0.71 -0.09 0.22 -1.65 0.00 0.00 177.43 176.54 1n4r h TYR 297 N 0.95 -0.24 -0.47 1.19 3.20 -0.79 -1.19 116.97 119.63 1n4r h TYR 297 Ca 0.25 -0.01 0.09 0.00 3.14 0.00 0.00 58.73 62.20 1n4r h TYR 297 Cb 0.03 0.08 -0.09 0.00 1.54 0.00 0.00 36.73 38.30 1n4r h TYR 297 CO -0.01 -0.03 -0.08 0.82 -1.64 0.00 0.00 178.16 177.23 1n4r h ILE 298 N -0.40 0.56 -0.20 1.81 2.04 -1.10 -0.09 117.51 120.13 1n4r h ILE 298 Ca -0.03 -0.01 -0.05 0.00 1.00 0.00 0.00 64.86 65.77 1n4r h ILE 298 Cb 0.31 0.53 -0.01 0.00 -0.74 0.00 0.00 36.82 36.91 1n4r h ILE 298 CO 0.04 0.01 -0.10 -0.07 0.00 0.00 0.00 178.15 178.03 1n4r h LEU 299 N 0.04 0.29 -1.13 1.44 3.38 -1.24 -2.17 115.31 115.92 1n4r h LEU 299 Ca 0.23 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.14 1n4r h LEU 299 Cb 0.35 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.02 1n4r h LEU 299 CO -0.45 0.42 0.00 -1.54 0.09 0.00 0.00 178.44 176.96 1n4r n SER 300 N -4.28 0.60 -1.22 -0.43 3.41 -0.06 -1.18 113.62 110.46 1n4r n SER 300 Ca -0.00 0.72 0.10 0.00 -0.26 0.00 0.00 58.87 59.43 1n4r n SER 300 Cb 0.26 -0.82 0.29 0.00 -0.26 0.00 0.00 64.21 63.68 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 -2.24 1.11 -2.52 6.66 -2.24 -0.82 -4.33 114.28 109.91 1n4r n THR 301 Ca -0.00 -1.04 -0.41 0.00 -2.27 0.00 0.00 64.05 60.33 1n4r n THR 301 Cb 0.11 0.45 -0.04 0.00 -2.10 0.00 0.00 70.33 68.75 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 4.58 -0.56 -0.78 0.74 -0.33 -1.05 119.66 121.15 1n4r s GLN 302 Ca 0.44 1.71 -0.20 0.00 0.05 0.00 0.00 55.36 57.35 1n4r s GLN 302 Cb 0.23 -3.29 0.07 0.00 1.10 0.00 0.00 33.01 31.13 1n4r s GLN 302 CO 0.28 0.05 0.73 0.34 -0.55 0.00 0.00 175.29 176.14 1n4r s ASP 303 N 0.01 6.21 0.17 6.67 -1.08 -0.44 -4.90 116.67 123.32 1n4r s ASP 303 Ca 0.50 -1.06 0.18 0.00 -0.52 0.00 0.00 52.55 51.66 1n4r s ASP 303 Cb -0.29 -2.33 0.81 0.00 -1.46 0.00 0.00 42.92 39.66 1n4r s ASP 303 CO 0.34 -1.08 1.56 0.54 0.52 0.00 0.00 175.17 177.05 1n4r n ARG 304 N 6.57 0.11 -0.09 4.34 1.74 -1.26 -0.15 116.66 127.93 1n4r n ARG 304 Ca -0.06 0.42 -0.11 0.00 -0.77 0.00 0.00 57.85 57.33 1n4r n ARG 304 Cb 0.44 -1.75 -0.04 0.00 -1.02 0.00 0.00 32.46 30.09 1n4r n ARG 304 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 1n4r n LEU 305 N -1.97 1.86 0.01 0.55 -0.00 -1.26 -4.67 117.00 111.52 1n4r n LEU 305 Ca 0.02 0.50 0.11 0.00 -0.00 0.00 0.00 56.01 56.64 1n4r n LEU 305 Cb 0.16 -0.85 -0.09 0.00 -0.00 0.00 0.00 43.42 42.63 1n4r n LEU 305 CO 0.14 -0.20 -0.29 1.33 -0.00 0.00 0.00 177.39 178.37 1n4r n VAL 306 N -4.52 0.06 0.00 1.96 0.24 -1.24 -5.10 118.33 109.74 1n4r n VAL 306 Ca -0.17 -0.26 0.00 0.00 -2.04 0.00 0.00 64.34 61.87 1n4r n VAL 306 Cb 0.45 0.38 0.00 0.00 -1.47 0.00 0.00 33.84 33.20 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 1.37 -0.01 0.21 7.63 0.00 0.78 -4.46 105.19 110.72 1n4r n GLY 307 Ca 0.00 -1.95 0.03 0.00 0.00 0.00 0.00 46.02 44.10 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 -0.19 -1.66 3.39 -0.02 0.00 -1.26 -4.32 105.19 101.13 1n4r n GLY 308 Ca 0.00 -1.47 -0.21 0.00 0.00 0.00 0.00 46.02 44.35 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 -1.62 1.93 0.46 1.61 0.40 -1.26 -1.33 117.98 118.17 1n4r s PHE 309 Ca 0.00 -0.48 0.04 0.00 -0.60 0.00 0.00 56.93 55.89 1n4r s PHE 309 Cb 0.00 -0.87 -0.04 0.00 0.51 0.00 0.00 43.02 42.62 1n4r s PHE 309 CO 0.00 0.49 0.01 0.00 0.70 0.00 0.00 175.22 176.42 1n4r s ALA 310 N -2.77 3.69 0.15 5.36 0.00 -0.21 -2.68 121.76 125.30 1n4r s ALA 310 Ca 0.25 -1.27 -0.08 0.00 0.00 0.00 0.00 51.96 50.85 1n4r s ALA 310 Cb -0.02 0.07 -0.02 0.00 0.00 0.00 0.00 23.12 23.14 1n4r s ALA 310 CO 0.10 -0.07 1.43 1.57 0.00 0.00 0.00 175.76 178.78 1n4r h LYS 311 N 1.53 0.74 -5.33 0.00 2.10 -1.88 -3.41 116.57 110.33 1n4r h LYS 311 Ca -0.44 -0.49 -0.43 0.00 -2.00 0.00 0.00 60.65 57.29 1n4r h LYS 311 Cb 1.28 0.07 -0.14 0.00 -0.90 0.00 0.00 32.23 32.54 1n4r h LYS 311 CO 0.77 1.12 -0.69 -1.58 -2.00 0.00 0.00 179.45 177.07 1n4r s TRP 312 N -4.01 1.69 0.50 0.07 0.51 -1.26 -2.30 118.94 114.14 1n4r s TRP 312 Ca -0.09 -0.75 -0.22 0.00 -2.12 0.00 0.00 56.10 52.91 1n4r s TRP 312 Cb 0.10 -0.92 -0.06 0.00 -0.81 0.00 0.00 33.47 31.78 1n4r s TRP 312 CO 0.87 0.17 1.27 -1.25 -0.51 0.00 0.00 176.95 177.50 1n4r s PRO 313 N -3.76 3.45 -1.28 4.98 0.04 -1.26 -2.91 135.00 134.27 1n4r s PRO 313 Ca 0.26 2.02 -0.08 0.00 0.04 0.00 0.00 61.00 63.24 1n4r s PRO 313 Cb 0.03 -2.34 0.01 0.00 0.04 0.00 0.00 34.50 32.24 1n4r s PRO 313 CO 0.08 -0.87 1.08 -0.25 0.04 0.00 0.00 177.00 177.08 1n4r n ASP 314 N -0.74 -6.09 -4.34 6.66 10.43 -1.26 -5.01 116.55 116.20 1n4r n ASP 314 Ca 0.09 -0.49 -0.19 0.00 2.57 0.00 0.00 54.79 56.76 1n4r n ASP 314 Cb 0.46 -4.72 -0.10 0.00 1.84 0.00 0.00 41.12 38.60 1n4r n ASP 314 CO 0.00 0.00 0.00 -0.55 -1.07 0.00 0.00 177.20 175.58 1n4r s SER 315 N -3.27 2.59 0.12 -2.24 0.15 -1.14 -5.11 113.70 104.80 1n4r s SER 315 Ca 0.53 -0.97 -0.31 0.00 0.70 0.00 0.00 55.95 55.91 1n4r s SER 315 Cb -0.24 -0.14 -0.07 0.00 -1.71 0.00 0.00 66.02 63.86 1n4r s SER 315 CO 0.66 -0.13 1.26 -1.00 1.20 0.00 0.00 173.24 175.23 1n4r s HIS 316 N -2.69 3.37 0.55 3.44 3.76 -1.26 -4.66 115.29 117.79 1n4r s HIS 316 Ca 0.20 1.23 -0.17 0.00 -0.15 0.00 0.00 55.06 56.18 1n4r s HIS 316 Cb -0.02 -3.51 -0.06 0.00 1.11 0.00 0.00 32.58 30.10 1n4r s HIS 316 CO 0.07 -1.61 1.02 -1.25 -0.85 0.00 0.00 174.74 172.12 1n4r s PRO 317 N 0.65 3.67 0.17 8.40 0.04 -1.26 -4.62 135.00 142.04 1n4r s PRO 317 Ca 0.59 1.10 -0.08 0.00 0.04 0.00 0.00 61.00 62.64 1n4r s PRO 317 Cb -0.33 -2.09 -0.01 0.00 0.04 0.00 0.00 34.50 32.11 1n4r s PRO 317 CO 0.32 -0.52 0.27 0.16 0.04 0.00 0.00 177.00 177.27 1n4r s ASP 318 N -2.85 0.06 0.20 6.66 1.47 -1.09 -4.97 116.67 116.16 1n4r s ASP 318 Ca 0.62 -0.92 -0.10 0.00 1.18 0.00 0.00 52.55 53.32 1n4r s ASP 318 Cb -0.13 0.43 0.26 0.00 -0.34 0.00 0.00 42.92 43.13 1n4r s ASP 318 CO 0.32 -0.89 1.75 0.00 0.68 0.00 0.00 175.17 177.04 1n4r h ALA 319 N 2.56 0.77 0.03 2.11 0.00 -1.97 -1.28 119.26 121.47 1n4r h ALA 319 Ca -0.32 0.07 0.02 0.00 0.00 0.00 0.00 54.91 54.68 1n4r h ALA 319 Cb 1.23 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.02 1n4r h ALA 319 CO 0.49 -0.17 -0.12 1.25 0.00 0.00 0.00 179.25 180.70 1n4r h LEU 320 N 0.44 -0.34 -0.87 0.00 6.46 -1.95 -0.42 115.31 118.62 1n4r h LEU 320 Ca 0.29 0.05 -0.12 0.00 -0.12 0.00 0.00 57.88 57.98 1n4r h LEU 320 Cb 0.33 0.14 -0.02 0.00 -0.73 0.00 0.00 40.66 40.39 1n4r h LEU 320 CO -0.28 -0.18 -0.55 0.45 -0.62 0.00 0.00 178.44 177.27 1n4r h HIS 321 N -0.22 0.05 -0.14 1.25 3.86 -1.76 -1.44 115.15 116.76 1n4r h HIS 321 Ca 0.03 -0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.22 1n4r h HIS 321 Cb 0.26 -0.01 -0.01 0.00 1.06 0.00 0.00 27.41 28.71 1n4r h HIS 321 CO -0.17 0.58 0.05 0.00 0.86 0.00 0.00 177.93 179.25 1n4r h ALA 322 N 1.42 0.18 -0.01 2.45 0.00 -0.93 0.22 119.26 122.59 1n4r h ALA 322 Ca -0.00 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 1n4r h ALA 322 Cb 0.98 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.72 1n4r h ALA 322 CO 0.07 -0.22 0.00 -0.92 0.00 0.00 0.00 179.25 178.18 1n4r h TYR 323 N 0.05 0.01 0.00 0.00 3.20 -0.95 -2.29 116.97 116.99 1n4r h TYR 323 Ca 0.04 -0.00 -0.09 0.00 3.14 0.00 0.00 58.73 61.83 1n4r h TYR 323 Cb 0.19 -0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.44 1n4r h TYR 323 CO -0.01 0.28 -0.41 0.74 -1.64 0.00 0.00 178.16 177.12 1n4r h PHE 324 N -0.26 0.00 -0.49 -3.82 -1.00 -1.27 -0.60 116.94 109.49 1n4r h PHE 324 Ca 0.00 0.00 -0.13 0.00 2.81 0.00 0.00 57.97 60.65 1n4r h PHE 324 Cb 0.28 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.82 1n4r h PHE 324 CO 0.02 0.41 -0.20 0.78 -1.61 0.00 0.00 178.31 177.71 1n4r h GLY 325 N 1.89 1.09 1.03 -1.45 0.00 -0.54 0.18 103.07 105.26 1n4r h GLY 325 Ca -0.00 -0.95 -0.10 0.00 0.00 0.00 0.00 47.33 46.27 1n4r h GLY 325 CO 0.05 0.87 -0.11 -2.22 0.00 0.00 0.00 176.54 175.13 1n4r h ILE 326 N 0.86 1.27 -0.12 2.60 2.04 -1.09 -0.69 117.51 122.37 1n4r h ILE 326 Ca 0.11 -1.22 -0.07 0.00 1.00 0.00 0.00 64.86 64.68 1n4r h ILE 326 Cb 0.78 1.13 -0.01 0.00 -0.74 0.00 0.00 36.82 37.97 1n4r h ILE 326 CO 0.06 0.42 -0.26 0.00 0.00 0.00 0.00 178.15 178.37 1n4r h GLY 328 N 0.97 0.79 1.08 0.00 0.00 -0.15 -2.13 103.07 103.63 1n4r h GLY 328 Ca 0.03 -0.55 -0.05 0.00 0.00 0.00 0.00 47.33 46.76 1n4r h GLY 328 CO 0.04 0.51 0.28 1.41 0.00 0.00 0.00 176.54 178.78 1n4r h LEU 329 N 0.58 1.07 -1.04 3.11 4.07 -0.64 -2.97 115.31 119.49 1n4r h LEU 329 Ca 0.13 -0.18 0.03 0.00 0.08 0.00 0.00 57.88 57.94 1n4r h LEU 329 Cb 0.43 -0.28 -0.06 0.00 1.08 0.00 0.00 40.66 41.83 1n4r h LEU 329 CO 0.01 0.97 0.64 -1.28 -1.08 0.00 0.00 178.44 177.70 1n4r h SER 330 N 1.12 1.08 -0.49 -0.43 0.87 -0.62 -1.68 113.55 113.40 1n4r h SER 330 Ca 0.25 -0.01 0.14 0.00 -1.23 0.00 0.00 61.79 60.94 1n4r h SER 330 Cb 0.25 -0.25 -0.02 0.00 -0.44 0.00 0.00 62.40 61.94 1n4r h SER 330 CO -0.02 0.74 0.43 -0.07 -0.53 0.00 0.00 176.83 177.39 1n4r h LEU 331 N 1.25 0.00 -2.56 2.23 4.07 -1.22 0.31 115.31 119.39 1n4r h LEU 331 Ca 0.39 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.35 1n4r h LEU 331 Cb -0.02 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.72 1n4r h LEU 331 CO -0.11 0.00 0.00 0.23 -1.08 0.00 0.00 178.44 177.48 1n4r n MET 332 N -3.98 2.63 -3.08 1.13 2.81 -0.64 -4.99 117.12 111.00 1n4r n MET 332 Ca 0.09 -2.50 -0.13 0.00 -1.81 0.00 0.00 57.70 53.35 1n4r n MET 332 Cb 0.64 -1.55 0.06 0.00 -0.71 0.00 0.00 33.22 31.66 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 1.59 -2.01 -1.86 0.03 1.02 0.11 -4.97 120.64 114.54 1n4r n GLU 333 Ca 0.22 0.80 -0.42 0.00 -0.02 0.00 0.00 57.16 57.75 1n4r n GLU 333 Cb 0.62 -5.43 -0.02 0.00 -0.02 0.00 0.00 31.44 26.59 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 -4.22 4.18 -0.30 3.49 2.56 -1.19 -4.89 118.70 118.32 1n4r s GLU 334 Ca 0.41 2.47 -0.28 0.00 0.00 0.00 0.00 54.97 57.57 1n4r s GLU 334 Cb -0.05 -3.06 -0.04 0.00 2.00 0.00 0.00 34.13 32.98 1n4r s GLU 334 CO 0.67 -0.57 2.05 0.45 -0.56 0.00 0.00 175.26 177.30 1n4r s SER 335 N 0.54 5.54 0.00 -1.70 0.15 -1.26 -1.42 113.70 115.55 1n4r s SER 335 Ca 0.63 1.53 0.00 0.00 0.70 0.00 0.00 55.95 58.81 1n4r s SER 335 Cb -0.46 -2.52 0.00 0.00 -1.71 0.00 0.00 66.02 61.34 1n4r s SER 335 CO 0.44 -1.95 0.00 0.61 1.20 0.00 0.00 173.24 173.54 1n4r n GLY 336 N 5.64 0.91 3.11 9.45 0.00 -1.26 -5.06 105.19 117.98 1n4r n GLY 336 Ca 0.27 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.99 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 -2.00 1.73 0.74 -0.61 1.01 -0.51 -4.73 121.20 116.83 1n4r s ILE 337 Ca 0.00 -0.79 -0.15 0.00 0.00 0.00 0.00 60.65 59.71 1n4r s ILE 337 Cb 0.00 -1.55 0.01 0.00 0.01 0.00 0.00 42.46 40.93 1n4r s ILE 337 CO 0.00 0.49 0.95 0.00 0.00 0.00 0.00 174.94 176.37 1n4r s LYS 339 N -3.40 4.65 0.19 0.00 2.20 -1.26 -4.80 119.74 117.32 1n4r s LYS 339 Ca 0.72 1.69 -0.05 0.00 -0.36 0.00 0.00 55.97 57.97 1n4r s LYS 339 Cb -0.33 -3.26 -0.06 0.00 -1.51 0.00 0.00 37.83 32.67 1n4r s LYS 339 CO 0.51 0.19 0.44 0.54 -0.36 0.00 0.00 175.35 176.67 1n4r s VAL 340 N -0.61 5.10 -0.52 4.02 0.11 -1.26 -1.13 120.40 126.11 1n4r s VAL 340 Ca 0.47 0.09 -0.21 0.00 -2.93 0.00 0.00 61.98 59.39 1n4r s VAL 340 Cb -0.29 -3.65 0.05 0.00 -1.53 0.00 0.00 36.38 30.96 1n4r s VAL 340 CO 0.36 -0.06 0.76 -2.28 -3.33 0.00 0.00 175.10 170.55 1n4r s HIS 341 N -1.78 2.94 0.49 1.54 2.46 0.80 -4.70 115.29 117.04 1n4r s HIS 341 Ca 0.43 -0.27 0.29 0.00 0.47 0.00 0.00 55.06 55.97 1n4r s HIS 341 Cb -0.12 -3.75 1.37 0.00 -0.13 0.00 0.00 32.58 29.96 1n4r s HIS 341 CO 0.25 -1.15 1.82 -1.00 -2.47 0.00 0.00 174.74 172.19 1n4r h PRO 342 N 9.12 0.14 0.05 2.88 0.13 -1.92 0.25 132.00 142.64 1n4r h PRO 342 Ca -0.27 -0.01 -0.38 0.00 -0.87 0.00 0.00 66.00 64.48 1n4r h PRO 342 Cb 1.09 -0.03 -0.05 0.00 0.13 0.00 0.00 31.00 32.14 1n4r h PRO 342 CO 1.01 0.09 -2.22 0.00 -0.23 0.00 0.00 178.00 176.65 1n4r n ALA 343 N -2.65 1.16 0.18 -0.56 0.00 -1.26 -4.42 120.51 112.95 1n4r n ALA 343 Ca 0.23 -0.86 0.08 0.00 0.00 0.00 0.00 53.44 52.89 1n4r n ALA 343 Cb 1.03 -0.34 0.10 0.00 0.00 0.00 0.00 19.45 20.23 1n4r n ALA 343 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1n4r h LEU 344 N -0.11 0.00 -2.22 0.00 5.85 -1.90 -3.47 115.31 113.46 1n4r h LEU 344 Ca -0.51 0.00 -0.22 0.00 0.84 0.00 0.00 57.88 57.98 1n4r h LEU 344 Cb 1.90 0.00 0.15 0.00 0.37 0.00 0.00 40.66 43.07 1n4r h LEU 344 CO -0.05 0.21 -0.64 -3.20 -0.34 0.00 0.00 178.44 174.41 1n4r n ASN 345 N -3.11 -4.15 -3.56 1.25 5.15 0.85 -5.04 115.26 106.65 1n4r n ASN 345 Ca 0.02 -0.53 -0.11 0.00 -0.60 0.00 0.00 54.58 53.37 1n4r n ASN 345 Cb 0.62 -4.17 -0.03 0.00 -0.53 0.00 0.00 39.78 35.67 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 -3.30 0.03 0.58 3.44 -7.23 -1.24 -4.97 120.40 107.71 1n4r s VAL 346 Ca 0.21 -0.36 -0.21 0.00 -1.81 0.00 0.00 61.98 59.81 1n4r s VAL 346 Cb -0.03 -1.17 -0.04 0.00 0.56 0.00 0.00 36.38 35.71 1n4r s VAL 346 CO 0.58 -0.15 1.34 -1.54 -0.31 0.00 0.00 175.10 175.02 1n4r n SER 347 N -0.31 2.53 0.14 4.85 3.41 -1.26 -0.14 113.62 122.83 1n4r n SER 347 Ca -0.15 0.94 0.05 0.00 -0.26 0.00 0.00 58.87 59.45 1n4r n SER 347 Cb 0.64 -1.57 0.51 0.00 -0.26 0.00 0.00 64.21 63.52 1n4r n SER 347 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 1n4r h THR 348 N 1.19 1.08 -0.74 6.66 1.35 -1.41 0.08 112.91 121.12 1n4r h THR 348 Ca -0.51 -0.25 0.12 0.00 -0.55 0.00 0.00 66.41 65.22 1n4r h THR 348 Cb 1.31 0.88 -0.08 0.00 -1.73 0.00 0.00 68.15 68.53 1n4r h THR 348 CO 0.56 0.09 0.33 -0.09 -0.25 0.00 0.00 175.52 176.17 1n4r h ARG 349 N 0.24 0.51 -0.11 4.72 2.43 -1.89 0.13 114.38 120.42 1n4r h ARG 349 Ca 0.06 -0.03 -0.19 0.00 -0.81 0.00 0.00 59.98 59.01 1n4r h ARG 349 Cb 0.07 -0.12 -0.00 0.00 -0.42 0.00 0.00 29.97 29.50 1n4r h ARG 349 CO -0.01 0.34 -0.72 1.15 -1.51 0.00 0.00 179.97 179.22 1n4r h THR 350 N 0.53 1.35 -0.27 0.20 2.02 -1.36 -1.65 112.91 113.73 1n4r h THR 350 Ca 0.39 -2.06 -0.05 0.00 0.77 0.00 0.00 66.41 65.46 1n4r h THR 350 Cb 0.51 2.04 -0.02 0.00 -1.74 0.00 0.00 68.15 68.95 1n4r h THR 350 CO -0.34 0.63 -0.03 0.77 0.37 0.00 0.00 175.52 176.92 1n4r h SER 351 N 0.36 0.38 -0.05 4.18 4.64 -0.25 -0.62 113.55 122.18 1n4r h SER 351 Ca -0.03 -0.07 -0.10 0.00 -0.47 0.00 0.00 61.79 61.12 1n4r h SER 351 Cb 1.31 -0.10 0.01 0.00 -0.31 0.00 0.00 62.40 63.30 1n4r h SER 351 CO 0.13 0.47 -0.34 -0.33 -0.87 0.00 0.00 176.83 175.89 1n4r h GLU 352 N 0.40 0.32 -0.68 4.77 5.08 -0.92 -0.39 114.58 123.16 1n4r h GLU 352 Ca 0.09 -0.28 0.15 0.00 -1.00 0.00 0.00 59.36 58.31 1n4r h GLU 352 Cb 0.32 0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.59 1n4r h GLU 352 CO 0.01 0.94 0.46 -0.09 -1.00 0.00 0.00 179.01 179.33 1n4r h ARG 353 N -0.20 0.29 -0.07 2.33 1.12 -0.98 0.72 114.38 117.59 1n4r h ARG 353 Ca -0.03 -0.02 -0.20 0.00 -1.11 0.00 0.00 59.98 58.62 1n4r h ARG 353 Cb 1.02 -0.07 0.00 0.00 -0.01 0.00 0.00 29.97 30.91 1n4r h ARG 353 CO 0.07 0.19 -0.80 1.25 -3.11 0.00 0.00 179.97 177.57 1n4r h LEU 354 N 0.30 0.59 -0.23 3.80 5.85 -0.93 -1.72 115.31 122.97 1n4r h LEU 354 Ca 0.33 -0.41 0.04 0.00 0.84 0.00 0.00 57.88 58.68 1n4r h LEU 354 Cb 0.87 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.69 1n4r h LEU 354 CO -0.08 1.18 0.01 -0.09 -0.34 0.00 0.00 178.44 179.12 1n4r h ARG 355 N 0.32 0.09 -0.17 1.25 2.43 0.21 -1.21 114.38 117.29 1n4r h ARG 355 Ca -0.05 -0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.10 1n4r h ARG 355 Cb 1.40 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.92 1n4r h ARG 355 CO 0.14 0.06 0.05 -0.44 -1.51 0.00 0.00 179.97 178.27 1n4r h ASP 356 N 0.09 0.25 -0.25 -3.80 3.32 -0.97 -2.11 116.42 112.96 1n4r h ASP 356 Ca 0.11 -0.22 0.07 0.00 0.02 0.00 0.00 57.03 57.01 1n4r h ASP 356 Cb 0.13 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 39.60 1n4r h ASP 356 CO -0.17 0.41 0.41 0.25 -1.72 0.00 0.00 179.24 178.42 1n4r h LEU 357 N 0.09 0.00 0.10 1.55 6.46 -0.88 0.37 115.31 122.99 1n4r h LEU 357 Ca 0.05 0.00 -0.21 0.00 -0.12 0.00 0.00 57.88 57.61 1n4r h LEU 357 Cb 0.25 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.18 1n4r h LEU 357 CO -0.00 0.00 -1.02 0.45 -0.62 0.00 0.00 178.44 177.25 1n4r h HIS 358 N 0.00 0.38 -0.60 1.25 3.86 -0.59 -3.20 115.15 116.25 1n4r h HIS 358 Ca 0.12 -0.27 0.06 0.00 -1.16 0.00 0.00 60.37 59.11 1n4r h HIS 358 Cb 0.94 -0.02 -0.05 0.00 1.06 0.00 0.00 27.41 29.35 1n4r h HIS 358 CO 0.00 1.39 0.31 1.96 0.86 0.00 0.00 177.93 182.45 1n4r h GLN 359 N -0.48 0.56 -0.93 2.45 7.50 -0.48 -1.82 115.11 121.92 1n4r h GLN 359 Ca -0.21 -0.03 0.01 0.00 0.50 0.00 0.00 58.65 58.91 1n4r h GLN 359 Cb 1.58 -0.13 -0.05 0.00 0.05 0.00 0.00 27.48 28.94 1n4r h GLN 359 CO 0.06 0.37 0.61 0.66 -1.50 0.00 0.00 178.83 179.03 1n4r h SER 360 N 0.58 1.06 0.12 1.46 4.64 -1.27 -1.15 113.55 118.99 1n4r h SER 360 Ca 0.27 -0.03 -0.03 0.00 -0.47 0.00 0.00 61.79 61.54 1n4r h SER 360 Cb 0.19 -0.26 -0.00 0.00 -0.31 0.00 0.00 62.40 62.01 1n4r h SER 360 CO -0.19 0.76 -0.12 -0.50 -0.87 0.00 0.00 176.83 175.91 1n4r h TRP 361 N 1.25 0.02 -0.94 4.77 6.55 -1.33 -3.34 115.95 122.92 1n4r h TRP 361 Ca 0.34 -0.00 -0.57 0.00 0.95 0.00 0.00 58.89 59.62 1n4r h TRP 361 Cb -0.13 -0.01 -0.08 0.00 -0.86 0.00 0.00 29.16 28.08 1n4r h TRP 361 CO -0.00 0.14 1.58 0.15 -1.05 0.00 0.00 178.44 179.26 1n4r s LYS 362 N -4.77 3.50 0.00 0.49 3.01 -0.43 -5.13 119.74 116.40 1n4r s LYS 362 Ca -0.04 -1.28 0.00 0.00 -1.01 0.00 0.00 55.97 53.64 1n4r s LYS 362 Cb 0.16 -5.37 0.00 0.00 -1.01 0.00 0.00 37.83 31.61 1n4r s LYS 362 CO 0.69 -2.50 0.00 0.25 0.51 0.00 0.00 175.35 174.30