#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nj1 h PHE 20 N 0.00 -0.04 -0.52 -1.84 3.57 -1.99 -2.02 116.94 114.09 1nj1 h PHE 20 Ca 0.00 -0.00 0.10 0.00 3.53 0.00 0.00 57.97 61.60 1nj1 h PHE 20 Cb 0.00 0.01 -0.11 0.00 2.79 0.00 0.00 35.95 38.65 1nj1 h PHE 20 CO 0.00 0.08 -0.31 0.77 -2.23 0.00 0.00 178.31 176.62 1nj1 h SER 21 N -0.15 -1.06 -0.56 0.41 0.02 -1.99 0.28 113.55 110.50 1nj1 h SER 21 Ca -0.00 0.21 0.01 0.00 -0.84 0.00 0.00 61.79 61.17 1nj1 h SER 21 Cb 0.14 0.53 -0.03 0.00 0.14 0.00 0.00 62.40 63.18 1nj1 h SER 21 CO 0.01 -0.30 0.36 -0.08 -1.14 0.00 0.00 176.83 175.67 1nj1 h GLU 22 N -0.18 0.70 0.01 3.45 4.81 -1.97 -1.36 114.58 120.03 1nj1 h GLU 22 Ca 0.22 -0.04 0.02 0.00 -0.13 0.00 0.00 59.36 59.43 1nj1 h GLU 22 Cb 0.54 -0.16 -0.03 0.00 0.63 0.00 0.00 28.75 29.73 1nj1 h GLU 22 CO -0.62 0.46 -0.16 2.35 -0.73 0.00 0.00 179.01 180.31 1nj1 h TRP 23 N 0.72 -0.41 0.34 0.92 7.01 -0.22 -0.68 115.95 123.63 1nj1 h TRP 23 Ca 0.21 0.01 -0.00 0.00 2.11 0.00 0.00 58.89 61.22 1nj1 h TRP 23 Cb -0.04 0.18 -0.03 0.00 -2.10 0.00 0.00 29.16 27.17 1nj1 h TRP 23 CO -0.05 -0.23 -0.52 0.35 -2.79 0.00 0.00 178.44 175.20 1nj1 h PHE 24 N -0.27 -1.46 -0.99 2.65 3.57 -0.23 0.32 116.94 120.52 1nj1 h PHE 24 Ca 0.05 0.02 0.13 0.00 3.53 0.00 0.00 57.97 61.70 1nj1 h PHE 24 Cb 0.33 0.59 -0.09 0.00 2.79 0.00 0.00 35.95 39.58 1nj1 h PHE 24 CO -0.21 -0.64 0.62 0.45 -2.23 0.00 0.00 178.31 176.30 1nj1 h HIS 25 N -0.90 1.12 -0.28 0.41 3.86 -1.14 -0.44 115.15 117.78 1nj1 h HIS 25 Ca -0.04 0.03 -0.18 0.00 -1.16 0.00 0.00 60.37 59.02 1nj1 h HIS 25 Cb 0.82 -0.35 -0.00 0.00 1.06 0.00 0.00 27.41 28.94 1nj1 h HIS 25 CO -0.34 0.41 -0.54 -0.91 0.86 0.00 0.00 177.93 177.41 1nj1 h ASN 26 N 0.95 0.91 0.02 2.45 2.35 -0.75 -2.97 115.58 118.54 1nj1 h ASN 26 Ca 0.50 -0.48 -0.14 0.00 -0.55 0.00 0.00 56.30 55.63 1nj1 h ASN 26 Cb 0.55 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.64 1nj1 h ASN 26 CO -0.28 1.27 -0.45 -0.29 -1.65 0.00 0.00 177.43 176.02 1nj1 h ILE 27 N 0.63 1.31 -0.57 2.81 6.09 -0.12 0.18 117.51 127.84 1nj1 h ILE 27 Ca 0.02 -1.65 0.04 0.00 -1.37 0.00 0.00 64.86 61.89 1nj1 h ILE 27 Cb 1.13 1.65 -0.03 0.00 0.47 0.00 0.00 36.82 40.04 1nj1 h ILE 27 CO 0.12 0.51 0.38 -0.07 -3.07 0.00 0.00 178.15 176.02 1nj1 h LEU 28 N 0.42 0.56 0.00 2.19 3.38 -1.08 0.70 115.31 121.48 1nj1 h LEU 28 Ca 0.03 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.95 1nj1 h LEU 28 Cb 0.96 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.57 1nj1 h LEU 28 CO 0.08 0.39 -0.22 -0.08 0.09 0.00 0.00 178.44 178.71 1nj1 h GLU 29 N 0.65 0.00 -0.51 1.13 4.81 -1.29 0.11 114.58 119.48 1nj1 h GLU 29 Ca 0.23 0.00 0.03 0.00 -0.13 0.00 0.00 59.36 59.49 1nj1 h GLU 29 Cb 0.11 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.45 1nj1 h GLU 29 CO -0.06 0.82 0.30 1.49 -0.73 0.00 0.00 179.01 180.83 1nj1 h GLU 30 N -1.00 0.58 0.00 1.92 4.81 -0.49 -0.49 114.58 119.91 1nj1 h GLU 30 Ca -0.06 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.14 1nj1 h GLU 30 Cb 0.89 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 30.14 1nj1 h GLU 30 CO -0.03 0.38 0.00 0.00 -0.73 0.00 0.00 179.01 178.63 1nj1 n ALA 31 N -2.28 2.54 -3.56 2.92 0.00 0.22 -4.92 120.51 115.43 1nj1 n ALA 31 Ca 0.04 -0.17 -0.22 0.00 0.00 0.00 0.00 53.44 53.09 1nj1 n ALA 31 Cb 0.08 -1.48 0.05 0.00 0.00 0.00 0.00 19.45 18.11 1nj1 n ALA 31 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1nj1 n GLU 32 N -1.10 -3.52 -0.07 0.00 1.02 -0.19 -4.68 120.64 112.09 1nj1 n GLU 32 Ca 0.19 0.66 -0.07 0.00 -0.02 0.00 0.00 57.16 57.92 1nj1 n GLU 32 Cb 0.15 -5.15 -0.03 0.00 -0.02 0.00 0.00 31.44 26.38 1nj1 n GLU 32 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 1nj1 h ILE 33 N -1.68 0.21 -3.98 -3.67 2.04 -1.02 -2.90 117.51 106.51 1nj1 h ILE 33 Ca -0.62 -1.25 -0.21 0.00 1.00 0.00 0.00 64.86 63.77 1nj1 h ILE 33 Cb 1.35 0.49 -0.19 0.00 -0.74 0.00 0.00 36.82 37.73 1nj1 h ILE 33 CO 0.51 0.07 -0.71 0.27 0.00 0.00 0.00 178.15 178.29 1nj1 s ILE 34 N -2.18 0.42 -0.19 -0.67 -4.36 -1.21 -1.81 121.20 111.21 1nj1 s ILE 34 Ca -0.16 -1.35 -0.02 0.00 -0.26 0.00 0.00 60.65 58.87 1nj1 s ILE 34 Cb 0.02 -0.91 -0.01 0.00 1.25 0.00 0.00 42.46 42.81 1nj1 s ILE 34 CO 0.27 -0.62 -0.09 -0.62 0.24 0.00 0.00 174.94 174.12 1nj1 s ASP 35 N -2.09 4.06 0.00 4.36 -1.08 -0.44 -4.48 116.67 116.99 1nj1 s ASP 35 Ca -0.04 -0.40 0.26 0.00 -0.52 0.00 0.00 52.55 51.85 1nj1 s ASP 35 Cb -0.04 -1.66 0.70 0.00 -1.46 0.00 0.00 42.92 40.46 1nj1 s ASP 35 CO -0.03 0.04 1.54 0.00 0.52 0.00 0.00 175.17 177.24 1nj1 n GLN 36 N 4.35 1.34 0.00 4.34 6.02 -1.26 -2.25 117.38 129.91 1nj1 n GLN 36 Ca -0.19 -0.88 0.00 0.00 -0.01 0.00 0.00 57.00 55.93 1nj1 n GLN 36 Cb 0.51 -1.48 0.00 0.00 1.02 0.00 0.00 30.24 30.29 1nj1 n GLN 36 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1nj1 n ARG 37 N -0.06 0.64 -2.87 -1.09 1.74 -1.26 -4.84 116.66 108.91 1nj1 n ARG 37 Ca 0.14 0.00 -0.40 0.00 -0.77 0.00 0.00 57.85 56.82 1nj1 n ARG 37 Cb 0.39 -1.21 -0.05 0.00 -1.02 0.00 0.00 32.46 30.57 1nj1 n ARG 37 CO 0.00 0.00 0.00 -0.47 -1.52 0.00 0.00 177.63 175.64 1nj1 s TYR 38 N 0.03 3.83 -1.14 -1.55 5.04 -1.26 -4.93 117.35 117.36 1nj1 s TYR 38 Ca 0.00 1.67 0.00 0.00 -2.44 0.00 0.00 57.07 56.30 1nj1 s TYR 38 Cb 0.00 -2.90 0.00 0.00 0.35 0.00 0.00 41.96 39.41 1nj1 s TYR 38 CO 0.00 0.32 0.58 -0.35 -1.34 0.00 0.00 175.55 174.76 1nj1 n PRO 39 N 2.39 0.00 -4.04 4.97 -0.04 -1.26 -4.40 135.00 132.63 1nj1 n PRO 39 Ca -0.02 0.16 -0.31 0.00 -0.04 0.00 0.00 63.50 63.29 1nj1 n PRO 39 Cb 0.49 -1.56 -0.16 0.00 -0.04 0.00 0.00 33.50 32.23 1nj1 n PRO 39 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1nj1 s VAL 40 N -2.16 1.70 0.21 0.52 1.01 -1.26 -5.10 120.40 115.33 1nj1 s VAL 40 Ca 0.00 -0.81 -0.32 0.00 0.00 0.00 0.00 61.98 60.85 1nj1 s VAL 40 Cb 0.00 -1.63 -0.13 0.00 0.00 0.00 0.00 36.38 34.62 1nj1 s VAL 40 CO 0.00 0.39 1.57 1.17 0.00 0.00 0.00 175.10 178.24 1nj1 n LYS 41 N 4.71 2.34 -0.78 2.72 4.81 -1.26 -2.64 118.16 128.07 1nj1 n LYS 41 Ca -0.17 0.84 0.00 0.00 -0.87 0.00 0.00 58.31 58.11 1nj1 n LYS 41 Cb 0.49 -2.60 0.00 0.00 0.02 0.00 0.00 35.03 32.94 1nj1 n LYS 41 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1nj1 n GLY 42 N 3.05 0.54 2.67 3.14 0.00 -1.26 -4.71 105.19 108.62 1nj1 n GLY 42 Ca 0.14 -0.63 -0.27 0.00 0.00 0.00 0.00 46.02 45.27 1nj1 n GLY 42 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1nj1 s MET 43 N -1.20 0.33 0.35 1.61 -1.94 -1.08 0.31 119.30 117.68 1nj1 s MET 43 Ca 0.00 -0.23 0.08 0.00 -1.71 0.00 0.00 55.69 53.83 1nj1 s MET 43 Cb 0.00 -1.96 -0.04 0.00 2.01 0.00 0.00 34.83 34.84 1nj1 s MET 43 CO 0.00 -0.66 0.14 -1.01 -0.01 0.00 0.00 175.02 173.48 1nj1 s HIS 44 N 2.01 2.69 -0.16 -0.03 3.76 -1.26 -4.59 115.29 117.71 1nj1 s HIS 44 Ca 0.01 -0.40 -0.07 0.00 -0.15 0.00 0.00 55.06 54.45 1nj1 s HIS 44 Cb -0.16 -1.66 -0.04 0.00 1.11 0.00 0.00 32.58 31.83 1nj1 s HIS 44 CO -0.08 0.33 0.07 0.08 -0.85 0.00 0.00 174.74 174.29 1nj1 s VAL 45 N -2.44 4.90 -0.37 -0.90 1.01 -0.96 -4.97 120.40 116.68 1nj1 s VAL 45 Ca 0.38 -0.00 -0.22 0.00 0.00 0.00 0.00 61.98 62.14 1nj1 s VAL 45 Cb -0.02 -3.18 0.01 0.00 0.00 0.00 0.00 36.38 33.19 1nj1 s VAL 45 CO 0.23 0.51 0.72 0.26 0.00 0.00 0.00 175.10 176.81 1nj1 s TRP 46 N -0.05 3.12 0.68 5.22 0.52 -1.26 -1.33 118.94 125.84 1nj1 s TRP 46 Ca 0.07 0.43 -0.10 0.00 0.02 0.00 0.00 56.10 56.52 1nj1 s TRP 46 Cb -0.12 -3.31 0.02 0.00 -1.15 0.00 0.00 33.47 28.90 1nj1 s TRP 46 CO 0.01 -0.71 1.05 -1.64 0.02 0.00 0.00 176.95 175.68 1nj1 s MET 47 N 2.95 2.84 0.20 4.98 -1.94 -0.75 -4.70 119.30 122.87 1nj1 s MET 47 Ca 0.28 0.33 -0.24 0.00 -1.71 0.00 0.00 55.69 54.36 1nj1 s MET 47 Cb -0.14 -2.08 0.10 0.00 2.01 0.00 0.00 34.83 34.72 1nj1 s MET 47 CO 0.16 -0.97 1.55 -1.35 -0.01 0.00 0.00 175.02 174.40 1nj1 h PRO 48 N -0.55 -0.02 0.23 2.03 0.11 -1.87 0.15 132.00 132.07 1nj1 h PRO 48 Ca -0.45 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.65 1nj1 h PRO 48 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 1nj1 h PRO 48 CO 0.63 -0.01 -0.11 1.25 -0.21 0.00 0.00 178.00 179.55 1nj1 h HIS 49 N -0.02 -0.28 -0.55 0.65 2.76 -1.87 -1.98 115.15 113.85 1nj1 h HIS 49 Ca 0.26 -0.01 0.09 0.00 -2.20 0.00 0.00 60.37 58.51 1nj1 h HIS 49 Cb 0.52 0.09 -0.07 0.00 1.55 0.00 0.00 27.41 29.50 1nj1 h HIS 49 CO -0.92 -0.18 0.15 0.78 -1.30 0.00 0.00 177.93 176.46 1nj1 h GLY 50 N -0.31 0.72 0.56 5.26 0.00 -1.15 -0.82 103.07 107.33 1nj1 h GLY 50 Ca -0.03 -0.06 0.11 0.00 0.00 0.00 0.00 47.33 47.36 1nj1 h GLY 50 CO 0.05 -0.06 0.61 -2.75 0.00 0.00 0.00 176.54 174.39 1nj1 h PHE 51 N 0.30 1.06 -0.55 5.60 3.57 -0.37 -0.99 116.94 125.55 1nj1 h PHE 51 Ca 0.28 0.03 -0.06 0.00 3.53 0.00 0.00 57.97 61.75 1nj1 h PHE 51 Cb 0.37 -0.34 -0.02 0.00 2.79 0.00 0.00 35.95 38.75 1nj1 h PHE 51 CO -0.21 0.44 0.09 0.52 -2.23 0.00 0.00 178.31 176.92 1nj1 h MET 52 N 0.94 0.88 -0.23 1.11 2.86 -0.40 0.77 114.93 120.86 1nj1 h MET 52 Ca 0.46 -0.21 -0.05 0.00 -2.06 0.00 0.00 59.70 57.85 1nj1 h MET 52 Cb 0.48 -0.12 -0.01 0.00 0.06 0.00 0.00 31.60 32.01 1nj1 h MET 52 CO -0.23 0.82 -0.04 0.82 1.06 0.00 0.00 176.91 179.34 1nj1 h ILE 53 N 0.84 1.28 -0.55 -1.22 2.04 -0.84 -0.91 117.51 118.15 1nj1 h ILE 53 Ca 0.17 -1.02 0.04 0.00 1.00 0.00 0.00 64.86 65.06 1nj1 h ILE 53 Cb 0.37 1.47 -0.04 0.00 -0.74 0.00 0.00 36.82 37.88 1nj1 h ILE 53 CO 0.01 0.31 0.31 -0.09 0.00 0.00 0.00 178.15 178.69 1nj1 h ARG 54 N 0.18 0.58 0.12 2.37 2.43 -1.00 0.10 114.38 119.16 1nj1 h ARG 54 Ca 0.06 -0.03 0.01 0.00 -0.81 0.00 0.00 59.98 59.21 1nj1 h ARG 54 Cb 0.49 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 29.89 1nj1 h ARG 54 CO 0.02 0.38 -0.17 -0.22 -1.51 0.00 0.00 179.97 178.47 1nj1 h LYS 55 N 0.60 -0.33 -0.61 0.20 3.64 -0.64 -0.40 116.57 119.03 1nj1 h LYS 55 Ca 0.24 0.02 -0.05 0.00 -1.27 0.00 0.00 60.65 59.59 1nj1 h LYS 55 Cb 0.10 0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 31.96 1nj1 h LYS 55 CO -0.14 -0.22 0.17 -0.91 -2.27 0.00 0.00 179.45 176.08 1nj1 h ASN 56 N -0.35 0.87 -0.66 4.20 2.35 -0.73 -0.95 115.58 120.30 1nj1 h ASN 56 Ca 0.02 -0.15 0.00 0.00 -0.55 0.00 0.00 56.30 55.62 1nj1 h ASN 56 Cb 0.35 -0.23 -0.03 0.00 0.05 0.00 0.00 38.32 38.46 1nj1 h ASN 56 CO -0.08 0.83 0.42 0.74 -1.65 0.00 0.00 177.43 177.69 1nj1 h THR 57 N 0.90 1.18 -0.11 2.81 2.02 -0.42 -2.10 112.91 117.19 1nj1 h THR 57 Ca 0.20 -0.37 -0.09 0.00 0.77 0.00 0.00 66.41 66.91 1nj1 h THR 57 Cb 0.29 0.24 -0.01 0.00 -1.74 0.00 0.00 68.15 66.92 1nj1 h THR 57 CO -0.01 0.18 -0.35 -0.07 0.37 0.00 0.00 175.52 175.65 1nj1 h LEU 58 N 0.90 0.22 -0.39 2.58 3.38 -0.47 -2.08 115.31 119.45 1nj1 h LEU 58 Ca 0.24 -0.08 0.01 0.00 0.09 0.00 0.00 57.88 58.14 1nj1 h LEU 58 Cb -0.06 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 1nj1 h LEU 58 CO -0.05 0.57 0.25 0.11 0.09 0.00 0.00 178.44 179.41 1nj1 h LYS 59 N 0.19 0.49 -0.32 1.13 1.57 -0.54 0.12 116.57 119.21 1nj1 h LYS 59 Ca 0.02 -0.03 0.01 0.00 -1.87 0.00 0.00 60.65 58.79 1nj1 h LYS 59 Cb 0.72 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.89 1nj1 h LYS 59 CO 0.05 0.33 0.19 0.82 -0.57 0.00 0.00 179.45 180.27 1nj1 h ILE 60 N 0.51 1.03 -0.26 1.86 2.04 -1.20 -1.88 117.51 119.62 1nj1 h ILE 60 Ca 0.15 -0.13 -0.00 0.00 1.00 0.00 0.00 64.86 65.87 1nj1 h ILE 60 Cb -0.04 0.62 -0.01 0.00 -0.74 0.00 0.00 36.82 36.64 1nj1 h ILE 60 CO -0.04 0.07 0.16 0.25 0.00 0.00 0.00 178.15 178.59 1nj1 h LEU 61 N 0.38 0.32 -1.26 1.44 5.85 -0.86 -2.97 115.31 118.21 1nj1 h LEU 61 Ca 0.13 -0.05 -0.06 0.00 0.84 0.00 0.00 57.88 58.73 1nj1 h LEU 61 Cb 0.00 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 40.94 1nj1 h LEU 61 CO -0.06 0.28 -0.17 0.03 -0.34 0.00 0.00 178.44 178.18 1nj1 h ARG 62 N 0.33 0.30 -0.89 1.25 3.08 -0.60 -1.18 114.38 116.68 1nj1 h ARG 62 Ca 0.09 -0.08 0.08 0.00 0.07 0.00 0.00 59.98 60.14 1nj1 h ARG 62 Cb 0.02 -0.03 -0.07 0.00 0.08 0.00 0.00 29.97 29.97 1nj1 h ARG 62 CO -0.02 0.47 0.54 0.00 -1.07 0.00 0.00 179.97 179.90 1nj1 h ARG 63 N 0.28 0.91 0.39 0.04 3.08 -1.18 0.32 114.38 118.23 1nj1 h ARG 63 Ca 0.05 -0.06 -0.02 0.00 0.07 0.00 0.00 59.98 60.03 1nj1 h ARG 63 Cb 0.47 -0.21 0.00 0.00 0.08 0.00 0.00 29.97 30.31 1nj1 h ARG 63 CO 0.03 0.61 -0.19 0.82 -1.07 0.00 0.00 179.97 180.17 1nj1 h ILE 64 N 0.94 0.24 -0.67 2.04 2.04 -1.43 -3.32 117.51 117.36 1nj1 h ILE 64 Ca 0.41 -0.67 0.05 0.00 1.00 0.00 0.00 64.86 65.65 1nj1 h ILE 64 Cb 0.28 0.39 -0.04 0.00 -0.74 0.00 0.00 36.82 36.71 1nj1 h ILE 64 CO -0.21 0.06 0.44 -0.07 0.00 0.00 0.00 178.15 178.36 1nj1 h LEU 65 N -1.06 0.64 0.00 1.44 3.38 -1.01 -2.46 115.31 116.24 1nj1 h LEU 65 Ca -0.05 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1nj1 h LEU 65 Cb 0.49 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.10 1nj1 h LEU 65 CO 0.09 0.43 0.00 0.47 0.09 0.00 0.00 178.44 179.52 1nj1 n ASP 66 N -4.47 0.00 -0.18 -0.43 8.00 0.11 -1.04 116.55 118.54 1nj1 n ASP 66 Ca 0.09 0.17 -0.10 0.00 0.71 0.00 0.00 54.79 55.66 1nj1 n ASP 66 Cb 0.18 -0.34 0.01 0.00 -0.02 0.00 0.00 41.12 40.95 1nj1 n ASP 66 CO 0.00 0.00 0.00 0.03 -0.39 0.00 0.00 177.20 176.84 1nj1 h ARG 67 N 0.00 0.98 0.00 -1.24 3.08 -1.54 -3.37 114.38 112.28 1nj1 h ARG 67 Ca 0.00 -0.35 0.00 0.00 0.07 0.00 0.00 59.98 59.70 1nj1 h ARG 67 Cb 0.17 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.15 1nj1 h ARG 67 CO 0.00 1.02 0.00 -0.25 -1.07 0.00 0.00 179.97 179.67 1nj1 n ASP 68 N -4.21 0.40 -4.44 7.04 8.00 -1.15 -5.08 116.55 117.11 1nj1 n ASP 68 Ca 0.01 -1.20 -0.27 0.00 0.71 0.00 0.00 54.79 54.04 1nj1 n ASP 68 Cb 0.37 0.00 -0.12 0.00 -0.02 0.00 0.00 41.12 41.36 1nj1 n ASP 68 CO 0.00 0.00 0.00 -1.00 -0.39 0.00 0.00 177.20 175.81 1nj1 s HIS 69 N -0.20 2.36 -0.23 1.24 3.76 -0.20 -4.69 115.29 117.34 1nj1 s HIS 69 Ca 0.00 -0.34 -0.03 0.00 -0.15 0.00 0.00 55.06 54.54 1nj1 s HIS 69 Cb 0.00 -1.19 0.00 0.00 1.11 0.00 0.00 32.58 32.51 1nj1 s HIS 69 CO 0.00 0.48 -0.05 -1.21 -0.85 0.00 0.00 174.74 173.11 1nj1 s GLU 70 N -2.59 3.24 0.31 1.40 2.02 0.91 -4.50 118.70 119.50 1nj1 s GLU 70 Ca 0.20 -0.71 -0.28 0.00 0.02 0.00 0.00 54.97 54.20 1nj1 s GLU 70 Cb -0.08 -3.00 -0.09 0.00 0.10 0.00 0.00 34.13 31.05 1nj1 s GLU 70 CO 0.10 -0.25 1.14 -2.00 0.02 0.00 0.00 175.26 174.27 1nj1 s GLU 71 N 1.44 4.48 0.00 1.61 2.12 -1.26 -2.78 118.70 124.32 1nj1 s GLU 71 Ca 0.05 1.86 0.00 0.00 0.36 0.00 0.00 54.97 57.23 1nj1 s GLU 71 Cb -0.15 -3.05 -0.00 0.00 0.26 0.00 0.00 34.13 31.19 1nj1 s GLU 71 CO -0.04 0.05 0.00 1.33 -0.54 0.00 0.00 175.26 176.06 1nj1 n VAL 72 N 0.88 0.00 -3.15 3.70 0.24 -0.63 -4.91 118.33 114.46 1nj1 n VAL 72 Ca 0.00 -0.00 0.04 0.00 -2.04 0.00 0.00 64.34 62.34 1nj1 n VAL 72 Cb 0.45 0.00 -0.01 0.00 -1.47 0.00 0.00 33.84 32.81 1nj1 n VAL 72 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 1nj1 s LEU 73 N 0.00 -1.35 0.40 1.34 2.96 -1.26 -4.55 118.68 116.22 1nj1 s LEU 73 Ca 0.00 0.67 0.07 0.00 -0.22 0.00 0.00 54.13 54.65 1nj1 s LEU 73 Cb 0.00 2.06 0.01 0.00 0.50 0.00 0.00 46.19 48.76 1nj1 s LEU 73 CO 0.00 -0.25 0.55 -0.36 -1.32 0.00 0.00 176.35 174.97 1nj1 s PHE 74 N 2.86 2.89 1.06 5.38 0.40 -1.26 -5.10 117.98 124.21 1nj1 s PHE 74 Ca 0.17 -0.34 -0.12 0.00 -0.60 0.00 0.00 56.93 56.04 1nj1 s PHE 74 Cb -0.13 -2.30 0.23 0.00 0.51 0.00 0.00 43.02 41.32 1nj1 s PHE 74 CO -0.21 -0.34 1.07 -2.14 0.70 0.00 0.00 175.22 174.30 1nj1 s PRO 75 N -4.32 -0.10 -0.12 0.24 0.02 -1.26 -5.00 135.00 124.46 1nj1 s PRO 75 Ca 0.53 0.94 0.02 0.00 0.02 0.00 0.00 61.00 62.51 1nj1 s PRO 75 Cb -0.10 -1.64 -0.24 0.00 0.02 0.00 0.00 34.50 32.54 1nj1 s PRO 75 CO 0.33 -3.20 0.36 -0.11 -0.33 0.00 0.00 177.00 174.05 1nj1 n LEU 76 N -4.56 1.90 -4.79 -5.54 7.94 -1.26 -4.93 117.00 105.76 1nj1 n LEU 76 Ca 0.05 0.22 -0.38 0.00 -1.11 0.00 0.00 56.01 54.79 1nj1 n LEU 76 Cb 0.54 -0.55 -0.06 0.00 0.53 0.00 0.00 43.42 43.88 1nj1 n LEU 76 CO 0.56 0.69 0.18 -0.76 -1.11 0.00 0.00 177.39 176.95 1nj1 s LEU 77 N -6.55 4.43 -0.06 -1.96 1.43 -1.26 -0.76 118.68 113.95 1nj1 s LEU 77 Ca -0.17 1.02 0.03 0.00 -1.03 0.00 0.00 54.13 53.98 1nj1 s LEU 77 Cb 0.07 -2.73 0.01 0.00 0.03 0.00 0.00 46.19 43.57 1nj1 s LEU 77 CO 0.77 0.20 -0.15 -0.69 0.23 0.00 0.00 176.35 176.71 1nj1 s VAL 78 N -0.55 1.35 0.36 -1.59 1.01 0.37 -4.91 120.40 116.44 1nj1 s VAL 78 Ca 0.26 -0.63 -0.24 0.00 0.00 0.00 0.00 61.98 61.37 1nj1 s VAL 78 Cb -0.17 -1.19 -0.10 0.00 0.00 0.00 0.00 36.38 34.91 1nj1 s VAL 78 CO 0.14 0.40 0.96 -2.16 0.00 0.00 0.00 175.10 174.44 1nj1 s PRO 79 N 0.39 4.43 0.23 2.72 0.04 -1.26 0.15 135.00 141.70 1nj1 s PRO 79 Ca -0.11 1.28 -0.12 0.00 0.04 0.00 0.00 61.00 62.09 1nj1 s PRO 79 Cb -0.14 -2.58 0.30 0.00 0.04 0.00 0.00 34.50 32.12 1nj1 s PRO 79 CO 0.04 0.14 1.61 0.93 0.04 0.00 0.00 177.00 179.75 1nj1 h GLU 80 N 2.71 -0.00 -0.93 4.56 5.08 -1.84 -0.93 114.58 123.24 1nj1 h GLU 80 Ca -0.48 0.00 0.11 0.00 -1.00 0.00 0.00 59.36 58.00 1nj1 h GLU 80 Cb 1.19 0.00 -0.13 0.00 0.50 0.00 0.00 28.75 30.31 1nj1 h GLU 80 CO 0.63 -0.00 -0.46 -3.47 -1.00 0.00 0.00 179.01 174.71 1nj1 n ASP 81 N -5.49 -0.80 -0.03 1.42 4.64 -1.26 -0.67 116.55 114.35 1nj1 n ASP 81 Ca 0.10 1.64 -0.15 0.00 -1.38 0.00 0.00 54.79 55.01 1nj1 n ASP 81 Cb 0.38 -0.29 -0.09 0.00 -1.04 0.00 0.00 41.12 40.08 1nj1 n ASP 81 CO 0.00 0.00 0.00 -0.33 -0.82 0.00 0.00 177.20 176.05 1nj1 h GLU 82 N 0.00 0.30 0.30 -0.67 4.39 -1.58 -3.25 114.58 114.07 1nj1 h GLU 82 Ca 0.23 -0.23 0.00 0.00 0.34 0.00 0.00 59.36 59.71 1nj1 h GLU 82 Cb 0.47 0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 29.13 1nj1 h GLU 82 CO -0.90 0.87 -0.40 1.25 -1.16 0.00 0.00 179.01 178.67 1nj1 h LEU 83 N -0.20 -1.13 -0.96 1.33 5.85 -0.49 -2.34 115.31 117.37 1nj1 h LEU 83 Ca -0.01 0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.81 1nj1 h LEU 83 Cb 0.91 0.40 0.00 0.00 0.37 0.00 0.00 40.66 42.33 1nj1 h LEU 83 CO 0.06 -0.52 0.00 0.00 -0.34 0.00 0.00 178.44 177.63 1nj1 n ALA 84 N -2.75 2.37 0.64 1.25 0.00 0.15 -3.76 120.51 118.42 1nj1 n ALA 84 Ca -0.09 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.48 1nj1 n ALA 84 Cb 0.39 -1.00 0.41 0.00 0.00 0.00 0.00 19.45 19.24 1nj1 n ALA 84 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1nj1 n LYS 85 N 0.03 0.25 -3.98 0.00 4.81 -0.88 -4.80 118.16 113.59 1nj1 n LYS 85 Ca 0.00 0.20 -0.33 0.00 -0.87 0.00 0.00 58.31 57.30 1nj1 n LYS 85 Cb 0.22 -1.78 -0.06 0.00 0.02 0.00 0.00 35.03 33.43 1nj1 n LYS 85 CO 0.00 0.00 0.00 -2.00 1.17 0.00 0.00 177.40 176.57 1nj1 s GLU 86 N -3.10 3.30 0.00 1.64 2.56 -1.25 -4.98 118.70 116.88 1nj1 s GLU 86 Ca 0.11 -0.37 0.00 0.00 0.00 0.00 0.00 54.97 54.71 1nj1 s GLU 86 Cb 0.13 -3.01 0.00 0.00 2.00 0.00 0.00 34.13 33.24 1nj1 s GLU 86 CO 0.60 0.67 0.56 0.00 -0.56 0.00 0.00 175.26 176.53 1nj1 n ALA 87 N 1.10 -0.20 0.06 6.30 0.00 -1.26 -3.48 120.51 123.04 1nj1 n ALA 87 Ca -0.12 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.16 1nj1 n ALA 87 Cb 0.53 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.91 1nj1 n ALA 87 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1nj1 h ILE 88 N 0.00 1.37 -0.30 0.00 2.04 -1.97 -3.21 117.51 115.44 1nj1 h ILE 88 Ca 0.00 -2.43 0.06 0.00 1.00 0.00 0.00 64.86 63.49 1nj1 h ILE 88 Cb 0.00 2.45 -0.06 0.00 -0.74 0.00 0.00 36.82 38.48 1nj1 h ILE 88 CO 0.00 0.73 -0.08 -0.74 0.00 0.00 0.00 178.15 178.06 1nj1 h HIS 89 N 0.27 -0.18 -0.61 1.37 2.76 -1.76 0.17 115.15 117.17 1nj1 h HIS 89 Ca -0.10 0.03 -0.04 0.00 -2.20 0.00 0.00 60.37 58.06 1nj1 h HIS 89 Cb 1.65 0.12 -0.03 0.00 1.55 0.00 0.00 27.41 30.71 1nj1 h HIS 89 CO 0.07 -0.14 0.22 0.28 -1.30 0.00 0.00 177.93 177.07 1nj1 h VAL 90 N -0.01 1.22 -0.20 5.26 2.07 -1.66 -1.89 116.25 121.04 1nj1 h VAL 90 Ca 0.15 -0.73 -0.08 0.00 0.82 0.00 0.00 66.70 66.86 1nj1 h VAL 90 Cb 0.23 0.52 -0.01 0.00 -1.52 0.00 0.00 31.29 30.51 1nj1 h VAL 90 CO -0.31 0.29 -0.21 0.50 0.02 0.00 0.00 177.57 177.85 1nj1 h LYS 91 N 0.88 0.35 -0.12 1.57 3.64 -1.32 -0.28 116.57 121.30 1nj1 h LYS 91 Ca 0.21 -0.11 -0.10 0.00 -1.27 0.00 0.00 60.65 59.37 1nj1 h LYS 91 Cb 0.21 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 31.98 1nj1 h LYS 91 CO -0.01 0.55 -0.37 0.78 -2.27 0.00 0.00 179.45 178.13 1nj1 h GLY 92 N 0.95 0.28 -0.83 5.01 0.00 0.13 -3.18 103.07 105.43 1nj1 h GLY 92 Ca 0.05 -0.25 0.00 0.00 0.00 0.00 0.00 47.33 47.14 1nj1 h GLY 92 CO 0.04 0.23 0.00 0.69 0.00 0.00 0.00 176.54 177.49 1nj1 n PHE 93 N -4.06 0.45 0.00 5.60 3.01 -1.05 -4.88 117.46 116.53 1nj1 n PHE 93 Ca -0.01 -0.82 0.00 0.00 1.01 0.00 0.00 57.45 57.63 1nj1 n PHE 93 Cb 0.45 -0.19 0.00 0.00 -0.01 0.00 0.00 39.48 39.73 1nj1 n PHE 93 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 1nj1 n GLU 94 N -0.67 0.00 -1.06 -1.08 -0.58 -0.13 -1.81 120.64 115.32 1nj1 n GLU 94 Ca 0.16 0.75 -0.15 0.00 -0.42 0.00 0.00 57.16 57.50 1nj1 n GLU 94 Cb 0.66 -1.14 0.21 0.00 -0.57 0.00 0.00 31.44 30.60 1nj1 n GLU 94 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 1nj1 n ASP 95 N -2.61 3.60 -0.41 1.62 8.00 -1.26 -4.12 116.55 121.37 1nj1 n ASP 95 Ca 0.00 -3.57 0.04 0.00 0.71 0.00 0.00 54.79 51.97 1nj1 n ASP 95 Cb 0.00 -0.76 0.06 0.00 -0.02 0.00 0.00 41.12 40.40 1nj1 n ASP 95 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1nj1 n GLU 96 N -0.96 1.08 -4.03 -1.24 1.02 -0.75 -4.81 120.64 110.96 1nj1 n GLU 96 Ca 0.49 -1.32 -0.36 0.00 -0.02 0.00 0.00 57.16 55.95 1nj1 n GLU 96 Cb 1.44 -1.19 -0.08 0.00 -0.02 0.00 0.00 31.44 31.59 1nj1 n GLU 96 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1nj1 s VAL 97 N -0.83 5.01 0.09 2.62 1.01 -1.17 -0.33 120.40 126.81 1nj1 s VAL 97 Ca 0.13 0.03 -0.21 0.00 0.00 0.00 0.00 61.98 61.93 1nj1 s VAL 97 Cb 0.08 -3.19 -0.07 0.00 0.00 0.00 0.00 36.38 33.20 1nj1 s VAL 97 CO 0.12 0.56 0.61 -0.31 0.00 0.00 0.00 175.10 176.08 1nj1 s TYR 98 N -0.55 3.82 -0.11 5.22 1.51 -1.26 -4.90 117.35 121.08 1nj1 s TYR 98 Ca 0.11 1.35 0.03 0.00 -1.01 0.00 0.00 57.07 57.54 1nj1 s TYR 98 Cb -0.12 -2.56 -0.00 0.00 -0.11 0.00 0.00 41.96 39.17 1nj1 s TYR 98 CO 0.02 0.56 -0.20 -1.58 -1.11 0.00 0.00 175.55 173.24 1nj1 s TRP 99 N -1.07 2.64 -0.15 2.71 0.52 -1.26 -1.91 118.94 120.42 1nj1 s TRP 99 Ca 0.30 -0.94 -0.15 0.00 0.02 0.00 0.00 56.10 55.33 1nj1 s TRP 99 Cb -0.20 -1.76 -0.04 0.00 -1.15 0.00 0.00 33.47 30.32 1nj1 s TRP 99 CO 0.20 -0.37 0.36 0.14 0.02 0.00 0.00 176.95 177.31 1nj1 s VAL 100 N 0.38 5.26 -0.01 4.03 -7.23 0.20 -4.93 120.40 118.10 1nj1 s VAL 100 Ca -0.16 0.70 0.02 0.00 -1.81 0.00 0.00 61.98 60.73 1nj1 s VAL 100 Cb -0.17 -3.70 -0.03 0.00 0.56 0.00 0.00 36.38 33.04 1nj1 s VAL 100 CO 0.07 0.35 0.02 0.35 -0.31 0.00 0.00 175.10 175.59 1nj1 n THR 101 N 3.70 0.05 -4.83 5.32 -2.24 -1.26 -1.71 114.28 113.31 1nj1 n THR 101 Ca -0.10 -0.06 -0.29 0.00 -2.27 0.00 0.00 64.05 61.34 1nj1 n THR 101 Cb 0.52 -0.19 -0.15 0.00 -2.10 0.00 0.00 70.33 68.41 1nj1 n THR 101 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 1nj1 s HIS 102 N -2.09 2.19 -0.65 4.78 3.76 -1.26 0.61 115.29 122.63 1nj1 s HIS 102 Ca -0.01 -0.40 -0.00 0.00 -0.15 0.00 0.00 55.06 54.50 1nj1 s HIS 102 Cb 0.01 -1.31 0.16 0.00 1.11 0.00 0.00 32.58 32.56 1nj1 s HIS 102 CO 0.07 0.12 0.45 0.20 -0.85 0.00 0.00 174.74 174.74 1nj1 s GLY 103 N -1.23 2.62 0.00 -2.22 0.00 0.58 -4.84 107.32 102.23 1nj1 s GLY 103 Ca 0.11 -3.41 0.00 0.00 0.00 0.00 0.00 44.72 41.42 1nj1 s GLY 103 CO 0.02 1.09 0.00 0.61 0.00 0.00 0.00 173.10 174.82 1nj1 n GLY 104 N 3.09 0.67 0.10 0.20 0.00 -1.26 -3.48 105.19 104.52 1nj1 n GLY 104 Ca 0.10 -0.89 0.00 0.00 0.00 0.00 0.00 46.02 45.23 1nj1 n GLY 104 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1nj1 h LEU 105 N 0.00 0.00 -9.74 0.99 3.38 -2.03 -3.47 115.31 104.44 1nj1 h LEU 105 Ca 0.00 0.00 -0.52 0.00 0.09 0.00 0.00 57.88 57.45 1nj1 h LEU 105 Cb 0.00 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 1nj1 h LEU 105 CO 0.00 0.57 0.22 -0.94 0.09 0.00 0.00 178.44 178.39 1nj1 s SER 106 N -5.82 7.44 -0.01 -0.43 1.04 -1.23 -5.04 113.70 109.65 1nj1 s SER 106 Ca -0.02 1.72 -0.30 0.00 0.48 0.00 0.00 55.95 57.82 1nj1 s SER 106 Cb 0.09 -2.53 -0.03 0.00 0.10 0.00 0.00 66.02 63.65 1nj1 s SER 106 CO 0.81 0.18 0.98 -0.75 0.98 0.00 0.00 173.24 175.44 1nj1 s LYS 107 N -1.22 4.55 0.37 4.02 2.20 -1.26 -0.31 119.74 128.09 1nj1 s LYS 107 Ca 0.38 1.41 -0.28 0.00 -0.36 0.00 0.00 55.97 57.12 1nj1 s LYS 107 Cb -0.23 -3.47 -0.10 0.00 -1.51 0.00 0.00 37.83 32.52 1nj1 s LYS 107 CO 0.27 -0.07 1.42 -0.51 -0.36 0.00 0.00 175.35 176.10 1nj1 s LEU 108 N 1.09 4.33 -0.01 5.43 1.43 0.20 -4.86 118.68 126.30 1nj1 s LEU 108 Ca 0.51 2.91 0.01 0.00 -1.03 0.00 0.00 54.13 56.54 1nj1 s LEU 108 Cb -0.21 -3.70 0.05 0.00 0.03 0.00 0.00 46.19 42.37 1nj1 s LEU 108 CO 0.27 -0.80 0.86 0.00 0.23 0.00 0.00 176.35 176.91 1nj1 n GLN 109 N 0.48 1.19 -3.16 1.70 6.02 -1.26 -4.52 117.38 117.83 1nj1 n GLN 109 Ca 0.01 -0.21 0.04 0.00 -0.01 0.00 0.00 57.00 56.83 1nj1 n GLN 109 Cb 0.40 -1.25 -0.01 0.00 1.02 0.00 0.00 30.24 30.40 1nj1 n GLN 109 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.06 176.55 1nj1 s ARG 110 N -1.61 0.45 0.47 -1.09 3.52 -1.26 -5.15 118.95 114.29 1nj1 s ARG 110 Ca 0.04 0.80 -0.24 0.00 -0.13 0.00 0.00 55.73 56.20 1nj1 s ARG 110 Cb 0.02 0.45 -0.08 0.00 -1.56 0.00 0.00 34.95 33.78 1nj1 s ARG 110 CO 0.02 -0.48 1.24 1.63 -0.81 0.00 0.00 175.30 176.90 1nj1 n LYS 111 N 5.44 1.73 -4.95 5.12 5.02 -1.26 -4.91 118.16 124.35 1nj1 n LYS 111 Ca -0.03 0.62 -0.29 0.00 -2.02 0.00 0.00 58.31 56.60 1nj1 n LYS 111 Cb 0.52 -2.39 -0.17 0.00 -0.02 0.00 0.00 35.03 32.97 1nj1 n LYS 111 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1nj1 s LEU 112 N -2.09 1.90 -0.11 -0.35 1.43 -0.69 -2.47 118.68 116.30 1nj1 s LEU 112 Ca 0.65 -0.45 -0.05 0.00 -1.03 0.00 0.00 54.13 53.26 1nj1 s LEU 112 Cb -0.48 -1.15 -0.04 0.00 0.03 0.00 0.00 46.19 44.55 1nj1 s LEU 112 CO 0.55 0.11 0.08 0.00 0.23 0.00 0.00 176.35 177.31 1nj1 s ALA 113 N 0.46 3.60 0.22 4.21 0.00 0.39 0.63 121.76 131.27 1nj1 s ALA 113 Ca -0.17 -0.72 -0.30 0.00 0.00 0.00 0.00 51.96 50.78 1nj1 s ALA 113 Cb -0.17 -1.75 -0.09 0.00 0.00 0.00 0.00 23.12 21.11 1nj1 s ALA 113 CO 0.07 0.59 1.20 -0.51 0.00 0.00 0.00 175.76 177.11 1nj1 s LEU 114 N -0.91 4.47 0.26 0.00 1.43 -0.80 -0.48 118.68 122.65 1nj1 s LEU 114 Ca 0.14 2.32 -0.31 0.00 -1.03 0.00 0.00 54.13 55.25 1nj1 s LEU 114 Cb -0.12 -3.62 -0.12 0.00 0.03 0.00 0.00 46.19 42.37 1nj1 s LEU 114 CO 0.03 -0.36 1.65 -2.11 0.23 0.00 0.00 176.35 175.79 1nj1 n ARG 115 N 2.03 2.75 -0.05 1.70 1.85 0.06 -4.57 116.66 120.44 1nj1 n ARG 115 Ca 0.03 0.98 -0.08 0.00 -1.00 0.00 0.00 57.85 57.79 1nj1 n ARG 115 Cb 0.44 -2.80 -0.14 0.00 -1.05 0.00 0.00 32.46 28.91 1nj1 n ARG 115 CO 0.00 0.00 0.00 -2.30 -0.01 0.00 0.00 177.63 175.32 1nj1 n PRO 116 N 2.83 0.65 -3.56 2.89 -0.02 -1.25 -0.77 135.00 135.77 1nj1 n PRO 116 Ca 0.11 0.16 -0.07 0.00 -2.02 0.00 0.00 63.50 61.68 1nj1 n PRO 116 Cb 0.36 -1.68 -0.02 0.00 -0.02 0.00 0.00 33.50 32.14 1nj1 n PRO 116 CO 0.00 0.00 0.00 -0.08 1.98 0.00 0.00 175.50 177.40 1nj1 s THR 117 N -2.62 0.00 -0.73 3.45 -1.32 -1.26 -4.56 115.64 108.60 1nj1 s THR 117 Ca -0.07 -0.09 0.17 0.00 -1.21 0.00 0.00 61.69 60.49 1nj1 s THR 117 Cb 0.07 -1.16 0.74 0.00 -1.51 0.00 0.00 72.50 70.64 1nj1 s THR 117 CO 0.83 0.00 1.66 -1.20 -2.21 0.00 0.00 174.62 173.70 1nj1 n SER 118 N -0.25 5.06 -0.05 8.08 7.64 -1.26 -4.61 113.62 128.23 1nj1 n SER 118 Ca -0.07 -2.66 -0.08 0.00 1.01 0.00 0.00 58.87 57.08 1nj1 n SER 118 Cb 0.61 -0.61 -0.01 0.00 -1.01 0.00 0.00 64.21 63.18 1nj1 n SER 118 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 1nj1 h GLU 119 N 3.87 -0.14 0.00 1.43 3.07 -1.99 0.73 114.58 121.57 1nj1 h GLU 119 Ca 0.00 0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.87 1nj1 h GLU 119 Cb 1.64 0.03 0.00 0.00 -0.84 0.00 0.00 28.75 29.58 1nj1 h GLU 119 CO 0.33 -0.09 0.00 0.25 -1.40 0.00 0.00 179.01 178.10 1nj1 n THR 120 N -5.31 0.80 -0.08 1.13 -2.24 -1.26 -1.11 114.28 106.20 1nj1 n THR 120 Ca -0.01 0.20 -0.23 0.00 -2.27 0.00 0.00 64.05 61.74 1nj1 n THR 120 Cb 0.23 -0.94 -0.12 0.00 -2.10 0.00 0.00 70.33 67.40 1nj1 n THR 120 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1nj1 n VAL 121 N -1.41 1.60 0.02 2.28 0.31 0.07 -4.57 118.33 116.64 1nj1 n VAL 121 Ca 0.05 -0.34 -0.13 0.00 -0.01 0.00 0.00 64.34 63.91 1nj1 n VAL 121 Cb 0.15 -1.85 -0.14 0.00 -0.91 0.00 0.00 33.84 31.09 1nj1 n VAL 121 CO 0.00 0.00 0.00 0.24 -1.32 0.00 0.00 176.83 175.75 1nj1 h MET 122 N -0.57 0.13 -0.67 5.55 2.86 -0.98 -3.40 114.93 117.86 1nj1 h MET 122 Ca -0.46 -0.22 -0.00 0.00 -2.06 0.00 0.00 59.70 56.96 1nj1 h MET 122 Cb 1.65 0.08 -0.03 0.00 0.06 0.00 0.00 31.60 33.36 1nj1 h MET 122 CO -0.15 0.87 0.41 1.88 1.06 0.00 0.00 176.91 180.99 1nj1 h TYR 123 N 0.03 0.87 -0.16 -0.22 0.05 -1.32 0.24 116.97 116.46 1nj1 h TYR 123 Ca -0.27 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.50 1nj1 h TYR 123 Cb 1.99 -0.29 -0.01 0.00 1.01 0.00 0.00 36.73 39.44 1nj1 h TYR 123 CO 0.03 0.58 0.04 -1.00 -1.05 0.00 0.00 178.16 176.76 1nj1 h PRO 124 N 0.91 0.22 -0.03 4.88 0.13 -1.79 0.12 132.00 136.43 1nj1 h PRO 124 Ca 0.24 -0.02 -0.14 0.00 -0.87 0.00 0.00 66.00 65.20 1nj1 h PRO 124 Cb -0.04 -0.04 -0.01 0.00 0.13 0.00 0.00 31.00 31.03 1nj1 h PRO 124 CO -0.05 0.21 -0.64 1.98 -0.23 0.00 0.00 178.00 179.28 1nj1 h MET 125 N 0.22 0.13 -0.00 0.86 4.05 -1.46 -2.85 114.93 115.88 1nj1 h MET 125 Ca 0.06 -0.09 -0.08 0.00 -0.28 0.00 0.00 59.70 59.30 1nj1 h MET 125 Cb 0.09 0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 30.90 1nj1 h MET 125 CO -0.00 0.72 -0.38 0.74 0.23 0.00 0.00 176.91 178.22 1nj1 h PHE 126 N 0.09 0.00 -0.60 1.39 0.05 0.14 -2.11 116.94 115.91 1nj1 h PHE 126 Ca -0.01 -0.00 0.06 0.00 3.82 0.00 0.00 57.97 61.84 1nj1 h PHE 126 Cb 1.14 -0.00 -0.04 0.00 2.00 0.00 0.00 35.95 39.05 1nj1 h PHE 126 CO 0.01 0.38 0.40 0.00 -0.18 0.00 0.00 178.31 178.92 1nj1 h ALA 127 N 1.62 1.81 0.11 2.45 0.00 -1.04 -1.16 119.26 123.04 1nj1 h ALA 127 Ca -0.00 -0.02 -0.18 0.00 0.00 0.00 0.00 54.91 54.71 1nj1 h ALA 127 Cb 0.67 -0.15 0.01 0.00 0.00 0.00 0.00 17.79 18.32 1nj1 h ALA 127 CO 0.05 0.10 -0.85 -0.07 0.00 0.00 0.00 179.25 178.48 1nj1 h LEU 128 N 0.59 0.35 -1.86 0.00 3.38 -1.47 -3.34 115.31 112.95 1nj1 h LEU 128 Ca 0.26 -0.92 -0.03 0.00 0.09 0.00 0.00 57.88 57.28 1nj1 h LEU 128 Cb 0.26 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 40.89 1nj1 h LEU 128 CO -0.08 1.39 -0.13 -0.50 0.09 0.00 0.00 178.44 179.21 1nj1 h TRP 129 N -0.48 0.00 -3.42 1.13 4.06 -1.14 -3.42 115.95 112.69 1nj1 h TRP 129 Ca -0.17 0.00 -0.60 0.00 2.06 0.00 0.00 58.89 60.19 1nj1 h TRP 129 Cb 1.56 0.00 -0.11 0.00 -1.00 0.00 0.00 29.16 29.61 1nj1 h TRP 129 CO 0.19 0.13 -0.23 0.08 -3.56 0.00 0.00 178.44 175.05 1nj1 s VAL 130 N -4.38 5.23 0.25 1.49 1.01 -0.46 -4.90 120.40 118.65 1nj1 s VAL 130 Ca -0.03 0.68 0.00 0.00 0.00 0.00 0.00 61.98 62.63 1nj1 s VAL 130 Cb 0.14 -3.71 0.00 0.00 0.00 0.00 0.00 36.38 32.81 1nj1 s VAL 130 CO 0.62 0.30 0.00 0.54 0.00 0.00 0.00 175.10 176.56 1nj1 n ARG 131 N 4.13 0.00 -4.18 2.72 5.12 -1.26 -4.74 116.66 118.45 1nj1 n ARG 131 Ca -0.09 0.00 -0.25 0.00 -1.93 0.00 0.00 57.85 55.57 1nj1 n ARG 131 Cb 0.51 -0.07 -0.07 0.00 -1.16 0.00 0.00 32.46 31.67 1nj1 n ARG 131 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 1nj1 s SER 132 N -5.08 4.97 0.44 0.55 0.15 -1.26 0.38 113.70 113.84 1nj1 s SER 132 Ca 0.00 -0.36 0.30 0.00 0.70 0.00 0.00 55.95 56.58 1nj1 s SER 132 Cb 0.00 -1.12 1.58 0.00 -1.71 0.00 0.00 66.02 64.78 1nj1 s SER 132 CO 0.00 0.06 1.90 1.12 1.20 0.00 0.00 173.24 177.52 1nj1 h HIS 133 N 2.41 0.00 0.00 3.44 2.07 -1.74 0.39 115.15 121.72 1nj1 h HIS 133 Ca -0.47 0.00 -0.06 0.00 -2.85 0.00 0.00 60.37 56.99 1nj1 h HIS 133 Cb 1.21 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 31.18 1nj1 h HIS 133 CO 0.62 0.00 -0.28 1.79 -3.07 0.00 0.00 177.93 176.98 1nj1 h THR 134 N 0.00 0.66 -0.33 6.12 1.35 -1.94 -2.90 112.91 115.88 1nj1 h THR 134 Ca 0.00 -1.31 -0.15 0.00 -0.55 0.00 0.00 66.41 64.40 1nj1 h THR 134 Cb 0.03 1.86 -0.01 0.00 -1.73 0.00 0.00 68.15 68.30 1nj1 h THR 134 CO 0.00 0.28 -0.40 0.44 -0.25 0.00 0.00 175.52 175.59 1nj1 h ASP 135 N 0.00 0.85 -4.00 5.36 3.32 -0.61 -3.45 116.42 117.90 1nj1 h ASP 135 Ca -0.00 -0.39 -0.48 0.00 0.02 0.00 0.00 57.03 56.18 1nj1 h ASP 135 Cb 0.84 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 40.15 1nj1 h ASP 135 CO 0.04 1.14 0.27 -0.76 -1.72 0.00 0.00 179.24 178.21 1nj1 s LEU 136 N -8.73 3.76 0.41 1.55 1.43 -1.10 -4.36 118.68 111.64 1nj1 s LEU 136 Ca -0.10 1.43 -0.11 0.00 -1.03 0.00 0.00 54.13 54.33 1nj1 s LEU 136 Cb 0.12 -4.33 -0.07 0.00 0.03 0.00 0.00 46.19 41.94 1nj1 s LEU 136 CO 0.86 -0.47 0.79 -2.16 0.23 0.00 0.00 176.35 175.59 1nj1 s PRO 137 N -3.81 3.80 -0.07 1.29 0.04 -1.26 -4.97 135.00 130.02 1nj1 s PRO 137 Ca 0.57 0.52 0.05 0.00 0.04 0.00 0.00 61.00 62.17 1nj1 s PRO 137 Cb -0.10 -2.37 -0.01 0.00 0.04 0.00 0.00 34.50 32.06 1nj1 s PRO 137 CO 0.28 -0.05 -0.22 -1.64 0.04 0.00 0.00 177.00 175.41 1nj1 s MET 138 N -3.83 2.72 -0.21 4.56 -1.94 -0.88 -4.97 119.30 114.75 1nj1 s MET 138 Ca 0.52 -0.86 -0.02 0.00 -1.71 0.00 0.00 55.69 53.62 1nj1 s MET 138 Cb -0.10 -2.26 0.06 0.00 2.01 0.00 0.00 34.83 34.54 1nj1 s MET 138 CO 0.31 0.35 0.03 1.03 -0.01 0.00 0.00 175.02 176.73 1nj1 s ARG 139 N -0.08 0.79 0.32 2.03 0.52 -1.26 -0.45 118.95 120.83 1nj1 s ARG 139 Ca -0.05 -0.57 0.10 0.00 -0.52 0.00 0.00 55.73 54.69 1nj1 s ARG 139 Cb -0.14 -2.16 -0.06 0.00 0.52 0.00 0.00 34.95 33.11 1nj1 s ARG 139 CO 0.04 -0.67 -0.10 -0.06 0.02 0.00 0.00 175.30 174.53 1nj1 s PHE 140 N 1.77 2.41 0.02 -0.53 0.40 -0.34 -0.06 117.98 121.66 1nj1 s PHE 140 Ca -0.01 -0.44 -0.27 0.00 -0.60 0.00 0.00 56.93 55.61 1nj1 s PHE 140 Cb -0.17 -1.29 0.08 0.00 0.51 0.00 0.00 43.02 42.15 1nj1 s PHE 140 CO -0.10 0.60 0.73 1.52 0.70 0.00 0.00 175.22 178.67 1nj1 s TYR 141 N -2.56 -0.52 0.03 0.36 -0.85 -1.12 -0.25 117.35 112.44 1nj1 s TYR 141 Ca 0.32 0.59 -0.15 0.00 -0.52 0.00 0.00 57.07 57.32 1nj1 s TYR 141 Cb -0.00 0.50 0.02 0.00 0.38 0.00 0.00 41.96 42.86 1nj1 s TYR 141 CO 0.17 -0.66 0.32 1.14 -1.52 0.00 0.00 175.55 175.00 1nj1 s GLN 142 N -2.52 0.79 -0.34 -3.49 -2.07 -0.43 -1.60 119.66 110.01 1nj1 s GLN 142 Ca -0.02 -0.41 0.01 0.00 -1.82 0.00 0.00 55.36 53.12 1nj1 s GLN 142 Cb -0.01 0.34 0.09 0.00 -1.09 0.00 0.00 33.01 32.34 1nj1 s GLN 142 CO -0.03 -0.25 0.05 0.08 -1.32 0.00 0.00 175.29 173.82 1nj1 s VAL 143 N -2.23 2.63 0.18 3.63 1.01 -1.26 -1.29 120.40 123.07 1nj1 s VAL 143 Ca -0.07 -1.99 0.02 0.00 0.00 0.00 0.00 61.98 59.94 1nj1 s VAL 143 Cb -0.02 -2.77 -0.01 0.00 0.00 0.00 0.00 36.38 33.59 1nj1 s VAL 143 CO -0.01 -0.44 0.07 1.33 0.00 0.00 0.00 175.10 176.05 1nj1 n VAL 144 N 4.43 0.00 -4.17 2.92 0.24 -0.35 -4.90 118.33 116.50 1nj1 n VAL 144 Ca -0.04 -1.05 -0.34 0.00 -2.04 0.00 0.00 64.34 60.87 1nj1 n VAL 144 Cb 0.42 0.40 -0.11 0.00 -1.47 0.00 0.00 33.84 33.08 1nj1 n VAL 144 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1nj1 s ASN 145 N -2.09 5.27 0.34 -1.34 4.22 -1.26 -1.36 114.94 118.72 1nj1 s ASN 145 Ca 0.10 -0.01 0.09 0.00 -2.14 0.00 0.00 52.86 50.90 1nj1 s ASN 145 Cb 0.01 -1.89 -0.06 0.00 1.28 0.00 0.00 41.25 40.59 1nj1 s ASN 145 CO 0.07 0.17 -0.06 0.42 -2.04 0.00 0.00 177.10 175.67 1nj1 s THR 146 N 0.37 2.38 -0.04 0.54 -4.23 -0.45 -4.91 115.64 109.32 1nj1 s THR 146 Ca -0.00 -2.12 0.03 0.00 -1.18 0.00 0.00 61.69 58.42 1nj1 s THR 146 Cb -0.13 -2.70 0.00 0.00 1.34 0.00 0.00 72.50 71.01 1nj1 s THR 146 CO 0.01 -0.20 -0.12 -0.36 -0.54 0.00 0.00 174.62 173.41 1nj1 s PHE 147 N -2.57 1.28 -0.12 3.99 0.40 0.05 -0.76 117.98 120.24 1nj1 s PHE 147 Ca 0.33 -0.36 -0.04 0.00 -0.60 0.00 0.00 56.93 56.27 1nj1 s PHE 147 Cb 0.01 -0.90 0.06 0.00 0.51 0.00 0.00 43.02 42.71 1nj1 s PHE 147 CO 0.18 -0.14 0.15 1.03 0.70 0.00 0.00 175.22 177.13 1nj1 s ARG 148 N 0.20 0.06 -0.82 0.44 0.52 -0.57 -3.96 118.95 114.82 1nj1 s ARG 148 Ca -0.05 0.35 -0.22 0.00 -0.52 0.00 0.00 55.73 55.29 1nj1 s ARG 148 Cb -0.11 -0.78 0.08 0.00 0.52 0.00 0.00 34.95 34.66 1nj1 s ARG 148 CO 0.01 -0.45 1.17 -0.47 0.02 0.00 0.00 175.30 175.58 1nj1 s TYR 149 N 2.26 2.69 0.00 -0.53 5.04 0.55 -4.42 117.35 122.94 1nj1 s TYR 149 Ca 0.04 -0.75 0.00 0.00 -2.44 0.00 0.00 57.07 53.92 1nj1 s TYR 149 Cb -0.14 -4.44 0.00 0.00 0.35 0.00 0.00 41.96 37.74 1nj1 s TYR 149 CO -0.07 -1.75 0.00 0.39 -1.34 0.00 0.00 175.55 172.78 1nj1 n GLU 150 N 7.95 2.76 -0.35 4.97 1.02 -1.26 -4.28 120.64 131.44 1nj1 n GLU 150 Ca 0.13 0.00 -0.13 0.00 -0.02 0.00 0.00 57.16 57.14 1nj1 n GLU 150 Cb 0.48 0.00 -0.01 0.00 -0.02 0.00 0.00 31.44 31.89 1nj1 n GLU 150 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 1nj1 n THR 151 N 0.00 0.35 0.32 2.62 -1.04 -1.26 -4.77 114.28 110.50 1nj1 n THR 151 Ca 0.00 -0.09 0.21 0.00 -2.04 0.00 0.00 64.05 62.13 1nj1 n THR 151 Cb 0.00 0.00 1.11 0.00 -1.82 0.00 0.00 70.33 69.62 1nj1 n THR 151 CO 0.00 0.00 0.00 0.11 -0.64 0.00 0.00 175.07 174.54 1nj1 h LYS 152 N 0.39 0.00 -5.65 -2.82 1.57 -2.02 -3.37 116.57 104.66 1nj1 h LYS 152 Ca -0.09 0.00 -0.63 0.00 -1.87 0.00 0.00 60.65 58.07 1nj1 h LYS 152 Cb 0.35 0.00 -0.13 0.00 0.08 0.00 0.00 32.23 32.53 1nj1 h LYS 152 CO 0.15 0.01 1.01 -1.01 -0.57 0.00 0.00 179.45 179.03 1nj1 s HIS 153 N -4.18 2.71 -0.05 -1.35 3.76 -1.26 -5.00 115.29 109.91 1nj1 s HIS 153 Ca -0.04 -0.83 -0.24 0.00 -0.15 0.00 0.00 55.06 53.79 1nj1 s HIS 153 Cb 0.13 -4.47 -0.04 0.00 1.11 0.00 0.00 32.58 29.32 1nj1 s HIS 153 CO 0.45 -1.75 0.73 0.99 -0.85 0.00 0.00 174.74 174.31 1nj1 s THR 154 N 4.16 5.01 -0.04 1.30 2.01 -1.26 -4.89 115.64 121.94 1nj1 s THR 154 Ca 0.35 1.52 0.02 0.00 0.31 0.00 0.00 61.69 63.89 1nj1 s THR 154 Cb -0.06 -4.07 0.02 0.00 0.01 0.00 0.00 72.50 68.39 1nj1 s THR 154 CO -0.02 0.25 -0.06 -0.13 -0.69 0.00 0.00 174.62 173.97 1nj1 s ARG 155 N 0.78 0.92 0.12 4.92 0.52 -0.57 -4.97 118.95 120.68 1nj1 s ARG 155 Ca 0.39 -0.19 -0.35 0.00 -0.52 0.00 0.00 55.73 55.06 1nj1 s ARG 155 Cb -0.18 -0.88 -0.15 0.00 0.52 0.00 0.00 34.95 34.26 1nj1 s ARG 155 CO 0.19 -0.01 1.52 -2.30 0.02 0.00 0.00 175.30 174.72 1nj1 n PRO 156 N 3.76 1.81 -0.24 3.54 -0.02 -1.26 -0.64 135.00 141.95 1nj1 n PRO 156 Ca -0.23 0.65 0.00 0.00 -2.02 0.00 0.00 63.50 61.91 1nj1 n PRO 156 Cb 0.52 -2.38 0.00 0.00 -0.02 0.00 0.00 33.50 31.62 1nj1 n PRO 156 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1nj1 n LEU 157 N 3.29 0.48 -0.04 2.45 4.77 -1.26 -4.56 117.00 122.13 1nj1 n LEU 157 Ca 0.18 0.00 -0.06 0.00 -0.03 0.00 0.00 56.01 56.10 1nj1 n LEU 157 Cb 0.25 -0.95 -0.04 0.00 -2.33 0.00 0.00 43.42 40.35 1nj1 n LEU 157 CO 0.64 -0.24 -0.78 -0.38 -1.33 0.00 0.00 177.39 175.30 1nj1 n ILE 158 N -1.83 0.48 -3.39 -0.08 5.41 -0.84 -2.70 119.36 116.42 1nj1 n ILE 158 Ca 0.00 -0.18 -0.24 0.00 1.00 0.00 0.00 62.75 63.33 1nj1 n ILE 158 Cb 0.00 -0.85 -0.10 0.00 -0.71 0.00 0.00 39.64 37.98 1nj1 n ILE 158 CO 0.00 0.00 0.00 -0.60 0.00 0.00 0.00 176.55 175.95 1nj1 s ARG 159 N -2.17 0.66 0.30 0.38 3.52 0.19 -4.93 118.95 116.90 1nj1 s ARG 159 Ca -0.11 -1.31 0.09 0.00 -0.13 0.00 0.00 55.73 54.27 1nj1 s ARG 159 Cb 0.03 -1.08 -0.05 0.00 -1.56 0.00 0.00 34.95 32.30 1nj1 s ARG 159 CO 0.19 -1.24 0.01 0.14 -0.81 0.00 0.00 175.30 173.59 1nj1 s VAL 160 N 1.00 3.08 0.01 7.11 -7.23 -1.25 -1.51 120.40 121.60 1nj1 s VAL 160 Ca 0.21 -1.93 -0.04 0.00 -1.81 0.00 0.00 61.98 58.41 1nj1 s VAL 160 Cb -0.15 -2.81 -0.28 0.00 0.56 0.00 0.00 36.38 33.70 1nj1 s VAL 160 CO -0.04 -0.30 0.89 0.03 -0.31 0.00 0.00 175.10 175.38 1nj1 h ARG 161 N 1.84 0.27 -4.50 4.82 2.47 -0.35 -3.41 114.38 115.51 1nj1 h ARG 161 Ca -0.43 -0.46 -0.70 0.00 -1.26 0.00 0.00 59.98 57.13 1nj1 h ARG 161 Cb 1.25 0.17 -0.32 0.00 -1.65 0.00 0.00 29.97 29.42 1nj1 h ARG 161 CO 0.62 1.15 -0.53 -2.00 0.56 0.00 0.00 179.97 179.77 1nj1 s GLU 162 N -2.62 2.29 -0.71 0.04 2.12 -0.94 -1.51 118.70 117.37 1nj1 s GLU 162 Ca -0.09 -1.63 -0.27 0.00 0.36 0.00 0.00 54.97 53.34 1nj1 s GLU 162 Cb 0.07 -3.62 0.03 0.00 0.26 0.00 0.00 34.13 30.87 1nj1 s GLU 162 CO 0.86 -0.99 1.26 0.42 -0.54 0.00 0.00 175.26 176.27 1nj1 s ILE 163 N 1.26 3.79 -0.54 -3.70 1.01 0.06 -4.83 121.20 118.25 1nj1 s ILE 163 Ca 0.05 0.49 0.25 0.00 0.00 0.00 0.00 60.65 61.44 1nj1 s ILE 163 Cb -0.23 -4.88 0.27 0.00 0.01 0.00 0.00 42.46 37.64 1nj1 s ILE 163 CO -0.02 -1.75 1.75 0.71 0.00 0.00 0.00 174.94 175.63 1nj1 h THR 164 N 6.05 0.00 -2.10 2.92 1.35 -1.84 -1.19 112.91 118.10 1nj1 h THR 164 Ca -0.27 -0.36 -0.53 0.00 -0.55 0.00 0.00 66.41 64.70 1nj1 h THR 164 Cb 1.05 1.21 -0.41 0.00 -1.73 0.00 0.00 68.15 68.27 1nj1 h THR 164 CO 1.26 0.00 -0.93 0.41 -0.25 0.00 0.00 175.52 176.01 1nj1 n THR 165 N -2.32 1.41 -3.04 6.82 -1.04 -1.26 -4.45 114.28 110.40 1nj1 n THR 165 Ca 0.03 -5.03 -0.43 0.00 -2.04 0.00 0.00 64.05 56.59 1nj1 n THR 165 Cb 0.32 -0.79 -0.06 0.00 -1.82 0.00 0.00 70.33 67.98 1nj1 n THR 165 CO 0.00 0.00 0.00 0.12 -0.64 0.00 0.00 175.07 174.55 1nj1 s PHE 166 N -2.95 3.02 -0.33 -1.42 5.36 -0.46 -3.64 117.98 117.55 1nj1 s PHE 166 Ca 0.44 0.01 -0.12 0.00 -0.96 0.00 0.00 56.93 56.29 1nj1 s PHE 166 Cb 0.32 -3.53 -0.03 0.00 -0.34 0.00 0.00 43.02 39.44 1nj1 s PHE 166 CO -0.11 -0.96 0.23 0.21 -1.46 0.00 0.00 175.22 173.13 1nj1 s LYS 167 N 3.07 3.60 -0.08 10.12 2.20 -0.39 -1.21 119.74 137.05 1nj1 s LYS 167 Ca 0.26 -0.57 0.04 0.00 -0.36 0.00 0.00 55.97 55.34 1nj1 s LYS 167 Cb -0.13 -3.77 -0.00 0.00 -1.51 0.00 0.00 37.83 32.41 1nj1 s LYS 167 CO 0.20 -0.38 -0.22 -1.83 -0.36 0.00 0.00 175.35 172.76 1nj1 s GLU 168 N 1.73 2.70 0.01 4.03 -1.05 -0.41 -1.77 118.70 123.95 1nj1 s GLU 168 Ca 0.06 -0.81 0.06 0.00 -0.15 0.00 0.00 54.97 54.13 1nj1 s GLU 168 Cb -0.17 -2.12 -0.03 0.00 -0.44 0.00 0.00 34.13 31.37 1nj1 s GLU 168 CO 0.11 0.21 -0.16 0.00 0.95 0.00 0.00 175.26 176.37 1nj1 s ALA 169 N 0.24 2.66 -0.03 -0.84 0.00 0.24 -1.31 121.76 122.72 1nj1 s ALA 169 Ca -0.14 -1.12 0.01 0.00 0.00 0.00 0.00 51.96 50.71 1nj1 s ALA 169 Cb -0.16 -0.84 0.02 0.00 0.00 0.00 0.00 23.12 22.13 1nj1 s ALA 169 CO 0.07 0.57 -0.03 -1.01 0.00 0.00 0.00 175.76 175.36 1nj1 s HIS 170 N -0.88 0.53 0.26 0.00 3.76 0.65 -1.30 115.29 118.31 1nj1 s HIS 170 Ca 0.14 -0.11 0.11 0.00 -0.15 0.00 0.00 55.06 55.05 1nj1 s HIS 170 Cb -0.11 -0.50 -0.05 0.00 1.11 0.00 0.00 32.58 33.04 1nj1 s HIS 170 CO 0.04 -0.13 -0.18 0.95 -0.85 0.00 0.00 174.74 174.57 1nj1 s THR 171 N 0.72 2.25 -0.04 1.30 -4.23 0.14 -1.20 115.64 114.59 1nj1 s THR 171 Ca -0.09 -2.35 0.01 0.00 -1.18 0.00 0.00 61.69 58.09 1nj1 s THR 171 Cb -0.12 -2.23 0.02 0.00 1.34 0.00 0.00 72.50 71.51 1nj1 s THR 171 CO -0.00 -0.46 -0.06 -0.63 -0.54 0.00 0.00 174.62 172.93 1nj1 s ILE 172 N -2.65 0.58 0.12 2.99 1.01 0.41 -2.87 121.20 120.79 1nj1 s ILE 172 Ca 0.28 -0.19 0.03 0.00 0.00 0.00 0.00 60.65 60.77 1nj1 s ILE 172 Cb -0.04 -0.57 -0.04 0.00 0.01 0.00 0.00 42.46 41.82 1nj1 s ILE 172 CO 0.13 0.22 -0.08 -1.00 0.00 0.00 0.00 174.94 174.20 1nj1 s HIS 173 N 0.64 1.04 -0.04 3.97 3.76 0.17 -2.07 115.29 122.76 1nj1 s HIS 173 Ca -0.09 -0.85 -0.22 0.00 -0.15 0.00 0.00 55.06 53.75 1nj1 s HIS 173 Cb -0.12 -0.57 -0.28 0.00 1.11 0.00 0.00 32.58 32.72 1nj1 s HIS 173 CO 0.00 -0.06 0.95 0.00 -0.85 0.00 0.00 174.74 174.79 1nj1 h ALA 174 N 2.89 -0.03 -3.65 -1.40 0.00 -1.93 0.97 119.26 116.11 1nj1 h ALA 174 Ca -0.36 -0.62 -0.67 0.00 0.00 0.00 0.00 54.91 53.26 1nj1 h ALA 174 Cb 1.18 0.06 -0.17 0.00 0.00 0.00 0.00 17.79 18.86 1nj1 h ALA 174 CO 0.64 0.31 -0.77 0.95 0.00 0.00 0.00 179.25 180.38 1nj1 s THR 175 N -2.68 3.10 0.48 0.00 -4.23 -1.26 -4.53 115.64 106.52 1nj1 s THR 175 Ca -0.14 -1.37 0.15 0.00 -1.18 0.00 0.00 61.69 59.14 1nj1 s THR 175 Cb 0.01 -2.43 0.30 0.00 1.34 0.00 0.00 72.50 71.72 1nj1 s THR 175 CO 0.81 0.12 2.07 0.00 -0.54 0.00 0.00 174.62 177.07 1nj1 h ALA 176 N 3.71 2.02 -0.41 3.99 0.00 -1.94 -1.30 119.26 125.33 1nj1 h ALA 176 Ca -0.49 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 54.45 1nj1 h ALA 176 Cb 1.17 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.87 1nj1 h ALA 176 CO 0.49 -0.08 0.17 1.03 0.00 0.00 0.00 179.25 180.86 1nj1 h SER 177 N 0.21 0.21 -0.03 0.00 0.87 -2.00 -2.02 113.55 110.78 1nj1 h SER 177 Ca 0.14 0.04 -0.07 0.00 -1.23 0.00 0.00 61.79 60.66 1nj1 h SER 177 Cb 0.27 0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 62.22 1nj1 h SER 177 CO -0.02 0.16 -0.17 -0.33 -0.53 0.00 0.00 176.83 175.93 1nj1 h GLU 178 N 0.35 0.38 0.08 2.24 5.08 -1.65 -2.01 114.58 119.04 1nj1 h GLU 178 Ca 0.18 -0.11 -0.00 0.00 -1.00 0.00 0.00 59.36 58.43 1nj1 h GLU 178 Cb 0.14 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.35 1nj1 h GLU 178 CO -0.17 0.55 -0.04 0.00 -1.00 0.00 0.00 179.01 178.36 1nj1 h ALA 179 N 1.47 -0.10 -0.67 3.43 0.00 -1.14 0.20 119.26 122.45 1nj1 h ALA 179 Ca 0.06 -0.05 0.04 0.00 0.00 0.00 0.00 54.91 54.97 1nj1 h ALA 179 Cb 0.51 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.30 1nj1 h ALA 179 CO 0.03 -0.53 0.44 0.93 0.00 0.00 0.00 179.25 180.12 1nj1 h GLU 180 N -0.15 0.75 -0.65 0.00 5.08 -1.21 0.18 114.58 118.58 1nj1 h GLU 180 Ca -0.01 -0.05 -0.06 0.00 -1.00 0.00 0.00 59.36 58.24 1nj1 h GLU 180 Cb 0.13 -0.17 -0.03 0.00 0.50 0.00 0.00 28.75 29.18 1nj1 h GLU 180 CO 0.02 0.50 0.17 1.49 -1.00 0.00 0.00 179.01 180.19 1nj1 h GLU 181 N 0.78 1.04 -0.35 2.33 4.81 -0.61 -2.29 114.58 120.29 1nj1 h GLU 181 Ca 0.27 -0.24 -0.01 0.00 -0.13 0.00 0.00 59.36 59.25 1nj1 h GLU 181 Cb 0.11 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.34 1nj1 h GLU 181 CO -0.08 0.93 0.17 0.37 -0.73 0.00 0.00 179.01 179.67 1nj1 h GLN 182 N 0.96 0.50 -0.90 1.92 5.75 0.21 -1.37 115.11 122.18 1nj1 h GLN 182 Ca 0.21 -0.07 0.17 0.00 -0.15 0.00 0.00 58.65 58.81 1nj1 h GLN 182 Cb 0.34 -0.09 -0.10 0.00 1.07 0.00 0.00 27.48 28.70 1nj1 h GLN 182 CO -0.00 0.45 0.48 0.28 -2.65 0.00 0.00 178.83 177.39 1nj1 h VAL 183 N 0.42 0.68 -0.54 2.39 2.07 -0.60 0.20 116.25 120.87 1nj1 h VAL 183 Ca 0.12 -0.21 -0.08 0.00 0.82 0.00 0.00 66.70 67.35 1nj1 h VAL 183 Cb 0.11 -0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 29.86 1nj1 h VAL 183 CO -0.02 0.11 0.03 -0.33 0.02 0.00 0.00 177.57 177.38 1nj1 h GLU 184 N 0.62 0.89 -0.43 1.57 4.39 -0.73 -2.07 114.58 118.83 1nj1 h GLU 184 Ca 0.51 -0.24 -0.08 0.00 0.34 0.00 0.00 59.36 59.90 1nj1 h GLU 184 Cb 0.80 -0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 29.33 1nj1 h GLU 184 CO -0.40 0.87 -0.02 0.00 -1.16 0.00 0.00 179.01 178.30 1nj1 h ARG 185 N 0.83 0.78 -0.37 2.33 3.08 0.24 -2.23 114.38 119.05 1nj1 h ARG 185 Ca 0.16 -0.26 0.02 0.00 0.07 0.00 0.00 59.98 59.97 1nj1 h ARG 185 Cb 0.46 -0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.42 1nj1 h ARG 185 CO 0.02 0.86 0.21 0.00 -1.07 0.00 0.00 179.97 179.99 1nj1 h ALA 186 N 0.89 0.46 -0.81 0.04 0.00 -0.54 0.43 119.26 119.74 1nj1 h ALA 186 Ca 0.12 -0.00 0.08 0.00 0.00 0.00 0.00 54.91 55.11 1nj1 h ALA 186 Cb 0.52 -0.09 -0.07 0.00 0.00 0.00 0.00 17.79 18.15 1nj1 h ALA 186 CO 0.03 -0.14 0.47 0.28 0.00 0.00 0.00 179.25 179.88 1nj1 h VAL 187 N 0.42 0.94 -0.09 0.00 2.07 -1.22 0.29 116.25 118.66 1nj1 h VAL 187 Ca 0.15 -0.28 -0.11 0.00 0.82 0.00 0.00 66.70 67.29 1nj1 h VAL 187 Cb 0.02 0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 29.84 1nj1 h VAL 187 CO -0.08 0.15 -0.42 -0.33 0.02 0.00 0.00 177.57 176.90 1nj1 h GLU 188 N 0.81 0.20 -0.30 1.57 4.39 -0.72 -0.58 114.58 119.94 1nj1 h GLU 188 Ca 0.38 -0.09 -0.09 0.00 0.34 0.00 0.00 59.36 59.90 1nj1 h GLU 188 Cb 0.31 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.95 1nj1 h GLU 188 CO -0.23 0.59 -0.15 0.82 -1.16 0.00 0.00 179.01 178.89 1nj1 h ILE 189 N 0.16 1.29 -0.48 3.13 2.04 0.47 -1.80 117.51 122.33 1nj1 h ILE 189 Ca 0.01 -1.25 -0.12 0.00 1.00 0.00 0.00 64.86 64.51 1nj1 h ILE 189 Cb 0.82 1.46 -0.02 0.00 -0.74 0.00 0.00 36.82 38.34 1nj1 h ILE 189 CO 0.06 0.40 -0.18 1.88 0.00 0.00 0.00 178.15 180.31 1nj1 h TYR 190 N 0.39 1.07 -0.20 1.37 0.99 -0.81 0.46 116.97 120.24 1nj1 h TYR 190 Ca 0.07 -0.24 0.03 0.00 2.00 0.00 0.00 58.73 60.59 1nj1 h TYR 190 Cb 0.67 -0.26 -0.03 0.00 1.00 0.00 0.00 36.73 38.11 1nj1 h TYR 190 CO 0.06 1.04 -0.01 0.87 -0.00 0.00 0.00 178.16 180.12 1nj1 h LYS 191 N 0.83 0.06 -0.75 4.88 1.57 -0.98 0.24 116.57 122.41 1nj1 h LYS 191 Ca 0.12 -0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.85 1nj1 h LYS 191 Cb 0.74 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 33.00 1nj1 h LYS 191 CO 0.06 0.04 0.31 1.49 -0.57 0.00 0.00 179.45 180.77 1nj1 h GLU 192 N 0.06 1.12 0.65 3.15 4.81 -1.11 0.39 114.58 123.65 1nj1 h GLU 192 Ca 0.10 -0.20 -0.03 0.00 -0.13 0.00 0.00 59.36 59.10 1nj1 h GLU 192 Cb 0.12 -0.18 -0.00 0.00 0.63 0.00 0.00 28.75 29.32 1nj1 h GLU 192 CO -0.17 0.91 -0.36 0.35 -0.73 0.00 0.00 179.01 179.02 1nj1 h PHE 193 N 1.09 -0.94 -0.58 0.92 3.57 -0.14 -1.78 116.94 119.07 1nj1 h PHE 193 Ca 0.25 -0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.77 1nj1 h PHE 193 Cb 0.21 0.33 -0.04 0.00 2.79 0.00 0.00 35.95 39.23 1nj1 h PHE 193 CO 0.02 -0.56 0.35 0.74 -2.23 0.00 0.00 178.31 176.63 1nj1 h PHE 194 N -0.94 0.65 -0.69 0.41 0.05 -0.35 -1.20 116.94 114.87 1nj1 h PHE 194 Ca -0.08 0.02 0.11 0.00 3.82 0.00 0.00 57.97 61.84 1nj1 h PHE 194 Cb 0.74 -0.21 -0.05 0.00 2.00 0.00 0.00 35.95 38.44 1nj1 h PHE 194 CO -0.07 0.36 0.46 -0.91 -0.18 0.00 0.00 178.31 177.97 1nj1 h ASN 195 N 0.68 0.45 0.54 2.17 -0.26 -0.08 0.31 115.58 119.40 1nj1 h ASN 195 Ca 0.24 0.01 -0.04 0.00 -0.56 0.00 0.00 56.30 55.95 1nj1 h ASN 195 Cb 0.04 -0.08 -0.01 0.00 -1.06 0.00 0.00 38.32 37.22 1nj1 h ASN 195 CO -0.11 0.26 -0.20 0.28 -1.06 0.00 0.00 177.43 176.60 1nj1 h SER 196 N 0.50 0.00 -0.05 5.81 0.02 -0.31 -1.33 113.55 118.18 1nj1 h SER 196 Ca 0.33 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.28 1nj1 h SER 196 Cb 0.60 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.14 1nj1 h SER 196 CO -0.11 0.20 0.00 0.18 -1.14 0.00 0.00 176.83 175.97 1nj1 n LEU 197 N -3.64 2.62 -1.61 5.07 4.77 0.86 -4.93 117.00 120.13 1nj1 n LEU 197 Ca -0.01 -0.90 -0.16 0.00 -0.03 0.00 0.00 56.01 54.91 1nj1 n LEU 197 Cb 0.33 -0.02 -0.03 0.00 -2.33 0.00 0.00 43.42 41.37 1nj1 n LEU 197 CO 0.33 0.45 -0.19 0.61 -1.33 0.00 0.00 177.39 177.26 1nj1 n GLY 198 N 1.31 0.33 3.68 -0.72 0.00 0.15 -4.82 105.19 105.11 1nj1 n GLY 198 Ca 0.16 -0.24 -0.38 0.00 0.00 0.00 0.00 46.02 45.56 1nj1 n GLY 198 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1nj1 s ILE 199 N -2.72 5.24 0.55 -0.61 1.01 -0.65 -4.39 121.20 119.63 1nj1 s ILE 199 Ca 0.00 0.59 -0.08 0.00 0.00 0.00 0.00 60.65 61.16 1nj1 s ILE 199 Cb 0.00 -3.67 -0.04 0.00 0.01 0.00 0.00 42.46 38.76 1nj1 s ILE 199 CO 0.00 0.29 0.90 -2.16 0.00 0.00 0.00 174.94 173.96 1nj1 s PRO 200 N 1.16 3.53 0.13 2.79 0.04 -1.26 -4.32 135.00 137.07 1nj1 s PRO 200 Ca 0.17 0.43 -0.22 0.00 0.04 0.00 0.00 61.00 61.41 1nj1 s PRO 200 Cb -0.14 -2.24 0.06 0.00 0.04 0.00 0.00 34.50 32.22 1nj1 s PRO 200 CO 0.07 -0.39 0.56 1.52 0.04 0.00 0.00 177.00 178.80 1nj1 s TYR 201 N -2.95 -0.48 -0.12 0.56 -0.85 -1.26 -4.58 117.35 107.67 1nj1 s TYR 201 Ca 0.51 0.31 0.03 0.00 -0.52 0.00 0.00 57.07 57.39 1nj1 s TYR 201 Cb -0.11 0.48 0.00 0.00 0.38 0.00 0.00 41.96 42.72 1nj1 s TYR 201 CO 0.49 -0.80 -0.21 -1.17 -1.52 0.00 0.00 175.55 172.34 1nj1 s LEU 202 N -2.62 2.23 -0.18 -3.49 2.96 0.30 -4.94 118.68 112.94 1nj1 s LEU 202 Ca 0.00 -0.53 -0.05 0.00 -0.22 0.00 0.00 54.13 53.33 1nj1 s LEU 202 Cb -0.00 -1.46 -0.03 0.00 0.50 0.00 0.00 46.19 45.19 1nj1 s LEU 202 CO -0.11 0.13 0.01 -0.63 -1.32 0.00 0.00 176.35 174.43 1nj1 s ILE 203 N 0.51 4.18 0.25 6.68 1.01 -1.26 -1.52 121.20 131.04 1nj1 s ILE 203 Ca -0.13 -0.24 -0.03 0.00 0.00 0.00 0.00 60.65 60.24 1nj1 s ILE 203 Cb -0.17 -2.88 -0.02 0.00 0.01 0.00 0.00 42.46 39.40 1nj1 s ILE 203 CO 0.05 0.45 0.28 0.42 0.00 0.00 0.00 174.94 176.14 1nj1 s THR 204 N 0.67 0.00 -0.36 2.92 -4.23 -0.92 -4.91 115.64 108.81 1nj1 s THR 204 Ca 0.00 -1.80 -0.09 0.00 -1.18 0.00 0.00 61.69 58.62 1nj1 s THR 204 Cb -0.14 -2.45 0.03 0.00 1.34 0.00 0.00 72.50 71.29 1nj1 s THR 204 CO 0.02 0.00 0.16 -0.60 -0.54 0.00 0.00 174.62 173.66 1nj1 s ARG 205 N -3.88 2.73 0.75 3.99 3.52 -0.60 -1.33 118.95 124.12 1nj1 s ARG 205 Ca 0.34 -1.13 -0.16 0.00 -0.13 0.00 0.00 55.73 54.65 1nj1 s ARG 205 Cb 0.04 -3.62 -0.01 0.00 -1.56 0.00 0.00 34.95 29.80 1nj1 s ARG 205 CO 0.14 -0.69 0.74 0.54 -0.81 0.00 0.00 175.30 175.22 1nj1 n ARG 206 N 4.92 0.32 -1.74 5.12 5.12 -0.39 -1.35 116.66 128.65 1nj1 n ARG 206 Ca -0.12 0.16 -0.35 0.00 -1.93 0.00 0.00 57.85 55.61 1nj1 n ARG 206 Cb 0.45 -2.03 0.06 0.00 -1.16 0.00 0.00 32.46 29.79 1nj1 n ARG 206 CO 0.00 0.00 0.00 -2.14 -1.93 0.00 0.00 177.63 173.56 1nj1 s PRO 207 N -3.15 2.61 0.00 5.56 0.02 -1.26 -4.70 135.00 134.08 1nj1 s PRO 207 Ca 0.68 1.76 0.04 0.00 0.02 0.00 0.00 61.00 63.51 1nj1 s PRO 207 Cb -0.33 -1.89 0.22 0.00 0.02 0.00 0.00 34.50 32.51 1nj1 s PRO 207 CO 0.55 -1.47 0.90 -0.35 -0.33 0.00 0.00 177.00 176.30 1nj1 n PRO 208 N -2.14 0.08 0.00 5.54 -0.04 -1.26 -1.35 135.00 135.82 1nj1 n PRO 208 Ca 0.13 0.19 0.09 0.00 -0.04 0.00 0.00 63.50 63.87 1nj1 n PRO 208 Cb 0.50 -1.50 0.05 0.00 -0.04 0.00 0.00 33.50 32.51 1nj1 n PRO 208 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 1nj1 n TRP 209 N -1.22 0.00 0.31 0.54 2.14 -1.26 -4.18 117.44 113.77 1nj1 n TRP 209 Ca 0.02 0.00 0.03 0.00 2.07 0.00 0.00 57.50 59.62 1nj1 n TRP 209 Cb 0.03 0.00 -0.02 0.00 -0.81 0.00 0.00 31.31 30.51 1nj1 n TRP 209 CO 0.00 0.00 0.00 -0.25 2.07 0.00 0.00 177.69 179.51 1nj1 n ASP 210 N 0.69 0.62 -4.69 -0.67 8.00 -0.46 -5.05 116.55 114.99 1nj1 n ASP 210 Ca 0.10 -0.81 -0.32 0.00 0.71 0.00 0.00 54.79 54.46 1nj1 n ASP 210 Cb 0.43 0.77 0.14 0.00 -0.02 0.00 0.00 41.12 42.44 1nj1 n ASP 210 CO 0.00 0.00 0.00 -1.59 -0.39 0.00 0.00 177.20 175.22 1nj1 s LYS 211 N -1.38 1.45 0.15 -1.24 -2.85 -1.05 -4.87 119.74 109.96 1nj1 s LYS 211 Ca 0.04 1.66 -0.34 0.00 -1.00 0.00 0.00 55.97 56.33 1nj1 s LYS 211 Cb 0.05 -1.76 -0.14 0.00 -2.06 0.00 0.00 37.83 33.91 1nj1 s LYS 211 CO 0.23 -2.33 1.52 0.34 0.10 0.00 0.00 175.35 175.21 1nj1 n PHE 212 N -3.62 2.13 -1.39 1.78 7.35 -1.26 -4.75 117.46 117.69 1nj1 n PHE 212 Ca 0.13 0.35 -0.51 0.00 -0.76 0.00 0.00 57.45 56.66 1nj1 n PHE 212 Cb 0.51 -2.50 -0.11 0.00 0.35 0.00 0.00 39.48 37.73 1nj1 n PHE 212 CO 0.00 0.00 0.00 -2.30 -0.76 0.00 0.00 176.76 173.70 1nj1 n PRO 213 N 3.16 0.37 -0.09 -7.13 -0.02 -1.26 -0.50 135.00 129.53 1nj1 n PRO 213 Ca 0.17 0.08 0.00 0.00 -2.02 0.00 0.00 63.50 61.73 1nj1 n PRO 213 Cb 0.27 -1.91 0.00 0.00 -0.02 0.00 0.00 33.50 31.84 1nj1 n PRO 213 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1nj1 n GLY 214 N 6.87 0.54 3.92 -1.23 0.00 -1.26 -4.14 105.19 109.89 1nj1 n GLY 214 Ca 0.53 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.28 1nj1 n GLY 214 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1nj1 s SER 215 N -2.71 4.52 -0.04 1.61 1.04 0.34 -4.80 113.70 113.66 1nj1 s SER 215 Ca 0.00 0.50 -0.15 0.00 0.48 0.00 0.00 55.95 56.78 1nj1 s SER 215 Cb 0.00 -1.03 -0.31 0.00 0.10 0.00 0.00 66.02 64.78 1nj1 s SER 215 CO 0.00 -1.82 0.76 -0.33 0.98 0.00 0.00 173.24 172.83 1nj1 h GLU 216 N -0.85 0.39 -1.94 4.02 4.39 -0.42 -3.48 114.58 116.70 1nj1 h GLU 216 Ca -0.45 -0.67 0.11 0.00 0.34 0.00 0.00 59.36 58.69 1nj1 h GLU 216 Cb 1.31 0.25 -0.18 0.00 -0.10 0.00 0.00 28.75 30.02 1nj1 h GLU 216 CO 0.59 1.32 0.53 1.52 -1.16 0.00 0.00 179.01 181.81 1nj1 s TYR 217 N -2.54 -0.34 -0.06 4.33 -0.85 -1.19 -5.02 117.35 111.68 1nj1 s TYR 217 Ca -0.15 0.38 0.05 0.00 -0.52 0.00 0.00 57.07 56.83 1nj1 s TYR 217 Cb 0.04 0.50 -0.00 0.00 0.38 0.00 0.00 41.96 42.88 1nj1 s TYR 217 CO 0.86 -0.44 -0.21 0.99 -1.52 0.00 0.00 175.55 175.23 1nj1 s THR 218 N -2.27 1.73 -0.12 -3.49 2.01 -1.26 -1.90 115.64 110.34 1nj1 s THR 218 Ca 0.03 -0.87 -0.02 0.00 0.31 0.00 0.00 61.69 61.13 1nj1 s THR 218 Cb -0.01 -1.49 -0.03 0.00 0.01 0.00 0.00 72.50 70.99 1nj1 s THR 218 CO -0.04 0.49 -0.04 -0.69 -0.69 0.00 0.00 174.62 173.64 1nj1 s VAL 219 N 0.07 3.89 0.08 3.82 1.01 0.13 -1.26 120.40 128.13 1nj1 s VAL 219 Ca -0.07 -0.38 0.06 0.00 0.00 0.00 0.00 61.98 61.59 1nj1 s VAL 219 Cb -0.14 -2.66 -0.03 0.00 0.00 0.00 0.00 36.38 33.56 1nj1 s VAL 219 CO 0.04 0.54 -0.17 0.00 0.00 0.00 0.00 175.10 175.51 1nj1 s ALA 220 N -0.18 1.47 -0.17 5.51 0.00 -0.44 -0.67 121.76 127.28 1nj1 s ALA 220 Ca 0.03 -1.09 -0.06 0.00 0.00 0.00 0.00 51.96 50.85 1nj1 s ALA 220 Cb -0.13 -0.18 -0.04 0.00 0.00 0.00 0.00 23.12 22.78 1nj1 s ALA 220 CO 0.02 0.27 0.02 -0.06 0.00 0.00 0.00 175.76 176.01 1nj1 s PHE 221 N -1.16 3.17 0.03 0.00 0.40 0.21 -2.17 117.98 118.47 1nj1 s PHE 221 Ca 0.02 -0.05 0.06 0.00 -0.60 0.00 0.00 56.93 56.37 1nj1 s PHE 221 Cb -0.10 -2.02 -0.02 0.00 0.51 0.00 0.00 43.02 41.40 1nj1 s PHE 221 CO 0.03 0.11 -0.18 -0.51 0.70 0.00 0.00 175.22 175.37 1nj1 s ASP 222 N 0.27 2.15 0.23 1.36 1.01 -0.58 -1.07 116.67 120.05 1nj1 s ASP 222 Ca 0.01 -0.46 0.05 0.00 0.71 0.00 0.00 52.55 52.85 1nj1 s ASP 222 Cb -0.13 -0.18 -0.05 0.00 1.01 0.00 0.00 42.92 43.57 1nj1 s ASP 222 CO 0.01 0.13 -0.03 0.28 0.21 0.00 0.00 175.17 175.77 1nj1 s THR 223 N -0.74 1.23 -0.19 -1.27 -1.32 -0.37 -0.54 115.64 112.44 1nj1 s THR 223 Ca 0.06 -2.07 -0.07 0.00 -1.21 0.00 0.00 61.69 58.40 1nj1 s THR 223 Cb -0.08 -2.30 -0.03 0.00 -1.51 0.00 0.00 72.50 68.57 1nj1 s THR 223 CO 0.01 -0.38 0.04 -0.22 -2.21 0.00 0.00 174.62 171.87 1nj1 s LEU 224 N -3.32 3.58 0.31 9.08 2.96 -1.26 -0.49 118.68 129.53 1nj1 s LEU 224 Ca 0.27 -0.05 -0.14 0.00 -0.22 0.00 0.00 54.13 53.99 1nj1 s LEU 224 Cb 0.05 -1.91 -0.09 0.00 0.50 0.00 0.00 46.19 44.74 1nj1 s LEU 224 CO 0.08 0.11 0.70 -0.04 -1.32 0.00 0.00 176.35 175.89 1nj1 s MET 225 N 0.72 3.97 0.00 1.98 -1.94 0.93 -4.90 119.30 120.06 1nj1 s MET 225 Ca 0.02 0.60 0.00 0.00 -1.71 0.00 0.00 55.69 54.60 1nj1 s MET 225 Cb -0.14 -2.47 0.00 0.00 2.01 0.00 0.00 34.83 34.24 1nj1 s MET 225 CO 0.02 0.18 0.65 -2.30 -0.01 0.00 0.00 175.02 173.56 1nj1 n PRO 226 N -0.34 0.00 -0.57 2.03 -0.02 -1.26 -0.01 135.00 134.83 1nj1 n PRO 226 Ca 0.03 0.20 0.08 0.00 -2.02 0.00 0.00 63.50 61.80 1nj1 n PRO 226 Cb 0.53 -1.69 0.32 0.00 -0.02 0.00 0.00 33.50 32.64 1nj1 n PRO 226 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 1nj1 n ASP 227 N -1.15 4.51 0.00 2.55 3.85 -1.26 -4.91 116.55 120.13 1nj1 n ASP 227 Ca 0.00 -2.58 0.00 0.00 -0.71 0.00 0.00 54.79 51.50 1nj1 n ASP 227 Cb 0.19 -0.54 0.00 0.00 -1.35 0.00 0.00 41.12 39.42 1nj1 n ASP 227 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1nj1 n GLY 228 N 0.64 1.68 3.89 6.12 0.00 0.98 -4.89 105.19 113.60 1nj1 n GLY 228 Ca 0.23 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.95 1nj1 n GLY 228 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1nj1 s LYS 229 N -0.06 3.74 0.11 1.61 1.02 -1.24 -2.38 119.74 122.54 1nj1 s LYS 229 Ca 0.00 0.25 -0.05 0.00 0.02 0.00 0.00 55.97 56.20 1nj1 s LYS 229 Cb 0.00 -2.55 -0.05 0.00 -0.52 0.00 0.00 37.83 34.71 1nj1 s LYS 229 CO 0.00 0.15 0.34 0.99 -0.92 0.00 0.00 175.35 175.91 1nj1 s THR 230 N -2.11 5.21 -0.09 2.17 2.01 0.21 -0.05 115.64 122.99 1nj1 s THR 230 Ca 0.48 0.02 -0.00 0.00 0.31 0.00 0.00 61.69 62.49 1nj1 s THR 230 Cb -0.11 -3.62 0.02 0.00 0.01 0.00 0.00 72.50 68.81 1nj1 s THR 230 CO 0.28 0.12 -0.05 -0.22 -0.69 0.00 0.00 174.62 174.05 1nj1 s LEU 231 N -2.46 1.04 -0.29 4.42 2.96 0.35 -0.97 118.68 123.73 1nj1 s LEU 231 Ca 0.38 -0.21 -0.29 0.00 -0.22 0.00 0.00 54.13 53.79 1nj1 s LEU 231 Cb -0.13 -0.67 -0.01 0.00 0.50 0.00 0.00 46.19 45.89 1nj1 s LEU 231 CO 0.24 -0.12 1.41 -1.58 -1.32 0.00 0.00 176.35 174.97 1nj1 s GLN 232 N 1.62 3.84 -0.10 1.98 0.74 -1.26 -1.23 119.66 125.24 1nj1 s GLN 232 Ca 0.02 1.33 0.14 0.00 0.05 0.00 0.00 55.36 56.90 1nj1 s GLN 232 Cb -0.13 -3.94 0.40 0.00 1.10 0.00 0.00 33.01 30.44 1nj1 s GLN 232 CO -0.05 -1.23 1.32 0.44 -0.55 0.00 0.00 175.29 175.22 1nj1 n ILE 233 N 6.37 1.75 0.00 -2.34 -5.35 -0.23 -4.98 119.36 114.58 1nj1 n ILE 233 Ca 0.16 -1.57 0.00 0.00 -0.27 0.00 0.00 62.75 61.07 1nj1 n ILE 233 Cb 0.46 0.04 0.00 0.00 -1.74 0.00 0.00 39.64 38.41 1nj1 n ILE 233 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1nj1 n GLY 234 N -0.25 2.14 2.95 3.28 0.00 -1.22 -4.72 105.19 107.36 1nj1 n GLY 234 Ca 0.16 -0.12 -0.10 0.00 0.00 0.00 0.00 46.02 45.96 1nj1 n GLY 234 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1nj1 s THR 235 N -1.28 0.07 -0.05 2.61 -4.23 -1.01 -0.62 115.64 111.14 1nj1 s THR 235 Ca 0.00 -0.58 0.04 0.00 -1.18 0.00 0.00 61.69 59.97 1nj1 s THR 235 Cb 0.00 -0.18 -0.00 0.00 1.34 0.00 0.00 72.50 73.66 1nj1 s THR 235 CO 0.00 -0.32 -0.16 -0.69 -0.54 0.00 0.00 174.62 172.91 1nj1 s VAL 236 N -0.93 1.37 -0.02 2.29 1.01 0.15 -1.42 120.40 122.85 1nj1 s VAL 236 Ca -0.10 -0.67 0.05 0.00 0.00 0.00 0.00 61.98 61.25 1nj1 s VAL 236 Cb -0.06 -1.18 -0.01 0.00 0.00 0.00 0.00 36.38 35.12 1nj1 s VAL 236 CO -0.01 0.40 -0.16 -1.00 0.00 0.00 0.00 175.10 174.33 1nj1 s HIS 237 N 0.12 1.50 -0.35 5.22 3.76 0.13 -0.69 115.29 124.97 1nj1 s HIS 237 Ca -0.05 -0.32 -0.11 0.00 -0.15 0.00 0.00 55.06 54.44 1nj1 s HIS 237 Cb -0.12 -0.98 0.02 0.00 1.11 0.00 0.00 32.58 32.61 1nj1 s HIS 237 CO 0.02 -0.06 0.19 1.21 -0.85 0.00 0.00 174.74 175.26 1nj1 s ASN 238 N -0.28 5.67 0.00 1.40 3.84 -0.80 -1.39 114.94 123.38 1nj1 s ASN 238 Ca 0.04 -0.84 0.28 0.00 0.21 0.00 0.00 52.86 52.56 1nj1 s ASN 238 Cb -0.07 -2.02 1.16 0.00 -0.55 0.00 0.00 41.25 39.77 1nj1 s ASN 238 CO -0.00 -0.32 1.81 0.18 -2.79 0.00 0.00 177.10 175.97 1nj1 n LEU 239 N 4.99 1.14 0.00 3.21 4.77 0.62 0.28 117.00 132.01 1nj1 n LEU 239 Ca -0.12 -0.36 0.00 0.00 -0.03 0.00 0.00 56.01 55.50 1nj1 n LEU 239 Cb 0.47 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.53 1nj1 n LEU 239 CO 0.36 0.19 0.00 0.61 -1.33 0.00 0.00 177.39 177.22 1nj1 n GLY 240 N 1.18 3.06 0.04 -0.72 0.00 -1.13 -2.63 105.19 104.98 1nj1 n GLY 240 Ca 0.19 -0.10 0.03 0.00 0.00 0.00 0.00 46.02 46.13 1nj1 n GLY 240 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1nj1 n GLN 241 N 14.00 2.10 -0.35 1.61 6.02 -1.26 -1.36 117.38 138.15 1nj1 n GLN 241 Ca 0.00 -1.65 -0.03 0.00 -0.01 0.00 0.00 57.00 55.30 1nj1 n GLN 241 Cb 0.00 -1.05 0.09 0.00 1.02 0.00 0.00 30.24 30.30 1nj1 n GLN 241 CO 0.00 0.00 0.00 1.79 -1.01 0.00 0.00 177.06 177.84 1nj1 h THR 242 N 0.63 1.26 -0.19 5.09 1.35 -1.82 -1.27 112.91 117.96 1nj1 h THR 242 Ca 0.00 -0.58 -0.21 0.00 -0.55 0.00 0.00 66.41 65.07 1nj1 h THR 242 Cb 0.72 -0.04 0.01 0.00 -1.73 0.00 0.00 68.15 67.11 1nj1 h THR 242 CO 0.00 0.28 -0.69 -0.26 -0.25 0.00 0.00 175.52 174.59 1nj1 h PHE 243 N 1.28 1.03 -0.56 4.73 -1.00 -1.86 -2.69 116.94 117.89 1nj1 h PHE 243 Ca 0.33 -0.42 0.08 0.00 2.81 0.00 0.00 57.97 60.77 1nj1 h PHE 243 Cb -0.04 -0.17 -0.06 0.00 3.61 0.00 0.00 35.95 39.29 1nj1 h PHE 243 CO 0.01 1.25 0.21 0.00 -1.61 0.00 0.00 178.31 178.17 1nj1 h ALA 244 N 0.64 0.70 -0.28 2.45 0.00 -1.73 -0.70 119.26 120.35 1nj1 h ALA 244 Ca -0.03 0.07 -0.08 0.00 0.00 0.00 0.00 54.91 54.87 1nj1 h ALA 244 Cb 1.31 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.12 1nj1 h ALA 244 CO 0.14 -0.19 -0.18 0.00 0.00 0.00 0.00 179.25 179.02 1nj1 h ARG 245 N 0.40 0.50 -0.26 0.00 3.08 -1.23 0.16 114.38 117.02 1nj1 h ARG 245 Ca 0.27 -0.16 -0.06 0.00 0.07 0.00 0.00 59.98 60.10 1nj1 h ARG 245 Cb 0.30 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.30 1nj1 h ARG 245 CO -0.27 0.66 -0.06 1.15 -1.07 0.00 0.00 179.97 180.39 1nj1 h THR 246 N 0.45 1.28 -0.39 2.04 2.02 -0.87 -3.27 112.91 114.17 1nj1 h THR 246 Ca 0.08 -1.07 0.00 0.00 0.77 0.00 0.00 66.41 66.19 1nj1 h THR 246 Cb 0.58 1.44 0.00 0.00 -1.74 0.00 0.00 68.15 68.43 1nj1 h THR 246 CO 0.04 0.34 0.00 0.49 0.37 0.00 0.00 175.52 176.75 1nj1 n PHE 247 N -4.54 0.51 -3.08 3.16 3.72 -0.39 -4.99 117.46 111.84 1nj1 n PHE 247 Ca -0.04 -0.26 -0.13 0.00 -0.05 0.00 0.00 57.45 56.97 1nj1 n PHE 247 Cb 0.30 -0.00 0.07 0.00 -0.94 0.00 0.00 39.48 38.91 1nj1 n PHE 247 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 1nj1 n GLU 248 N 1.48 -4.27 -3.25 -1.08 -0.58 0.39 -4.74 120.64 108.59 1nj1 n GLU 248 Ca 0.19 0.69 -0.46 0.00 -0.42 0.00 0.00 57.16 57.16 1nj1 n GLU 248 Cb 0.60 -5.17 -0.03 0.00 -0.57 0.00 0.00 31.44 26.28 1nj1 n GLU 248 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 1nj1 s ILE 249 N -3.30 5.38 0.27 -3.67 1.01 -0.27 -4.74 121.20 115.88 1nj1 s ILE 249 Ca 0.12 -2.13 0.09 0.00 0.00 0.00 0.00 60.65 58.72 1nj1 s ILE 249 Cb -0.02 -4.51 -0.04 0.00 0.01 0.00 0.00 42.46 37.90 1nj1 s ILE 249 CO 0.59 -1.10 0.06 -0.54 0.00 0.00 0.00 174.94 173.96 1nj1 s LYS 250 N 0.88 2.49 0.00 2.79 1.02 -1.26 -2.46 119.74 123.20 1nj1 s LYS 250 Ca 0.18 -1.31 -0.03 0.00 0.02 0.00 0.00 55.97 54.83 1nj1 s LYS 250 Cb -0.12 -2.29 -0.01 0.00 -0.52 0.00 0.00 37.83 34.90 1nj1 s LYS 250 CO -0.07 0.36 0.05 -0.59 -0.92 0.00 0.00 175.35 174.18 1nj1 s PHE 251 N -2.27 0.09 -0.19 3.18 -0.12 -0.52 -4.30 117.98 113.85 1nj1 s PHE 251 Ca 0.32 -0.20 -0.28 0.00 -0.05 0.00 0.00 56.93 56.73 1nj1 s PHE 251 Cb -0.07 -0.08 -0.00 0.00 -0.63 0.00 0.00 43.02 42.24 1nj1 s PHE 251 CO 0.22 -0.17 0.97 -2.00 -0.05 0.00 0.00 175.22 174.18 1nj1 s GLU 252 N -0.99 4.30 0.76 1.99 2.12 0.16 -2.75 118.70 124.28 1nj1 s GLU 252 Ca -0.11 1.26 -0.11 0.00 0.36 0.00 0.00 54.97 56.36 1nj1 s GLU 252 Cb -0.06 -3.60 0.05 0.00 0.26 0.00 0.00 34.13 30.77 1nj1 s GLU 252 CO 0.00 -0.48 1.10 0.95 -0.54 0.00 0.00 175.26 176.29 1nj1 s THR 253 N 2.68 3.21 -0.73 -1.70 -4.23 0.10 -1.99 115.64 112.97 1nj1 s THR 253 Ca 0.43 0.39 0.10 0.00 -1.18 0.00 0.00 61.69 61.43 1nj1 s THR 253 Cb -0.16 -3.25 0.10 0.00 1.34 0.00 0.00 72.50 70.52 1nj1 s THR 253 CO 0.10 -0.51 1.30 -0.81 -0.54 0.00 0.00 174.62 174.16 1nj1 n PRO 254 N -3.25 0.06 -0.03 3.99 -0.04 -1.26 -1.71 135.00 132.76 1nj1 n PRO 254 Ca 0.07 0.51 -0.13 0.00 -0.04 0.00 0.00 63.50 63.91 1nj1 n PRO 254 Cb 0.57 -1.66 -0.14 0.00 -0.04 0.00 0.00 33.50 32.22 1nj1 n PRO 254 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1nj1 n GLU 255 N -1.78 0.68 0.00 0.54 4.71 -1.26 -4.97 120.64 118.55 1nj1 n GLU 255 Ca 0.00 0.25 0.00 0.00 -0.01 0.00 0.00 57.16 57.40 1nj1 n GLU 255 Cb 0.05 -1.73 0.00 0.00 -1.01 0.00 0.00 31.44 28.75 1nj1 n GLU 255 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1nj1 n GLY 256 N 1.74 1.06 3.93 0.62 0.00 -0.69 -5.13 105.19 106.71 1nj1 n GLY 256 Ca -0.24 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.53 1nj1 n GLY 256 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1nj1 s ASP 257 N -1.59 5.76 -0.35 1.61 1.01 -1.26 -4.81 116.67 117.03 1nj1 s ASP 257 Ca 0.00 0.57 0.03 0.00 0.71 0.00 0.00 52.55 53.86 1nj1 s ASP 257 Cb 0.00 -1.70 0.10 0.00 1.01 0.00 0.00 42.92 42.34 1nj1 s ASP 257 CO 0.00 -0.87 0.08 -1.00 0.21 0.00 0.00 175.17 173.59 1nj1 s HIS 258 N -2.79 3.12 0.26 4.23 3.76 -1.26 -0.73 115.29 121.87 1nj1 s HIS 258 Ca 0.51 -2.66 0.08 0.00 -0.15 0.00 0.00 55.06 52.84 1nj1 s HIS 258 Cb -0.10 -2.56 -0.04 0.00 1.11 0.00 0.00 32.58 30.99 1nj1 s HIS 258 CO 0.42 -0.91 0.10 -1.21 -0.85 0.00 0.00 174.74 172.29 1nj1 s GLU 259 N 0.99 2.63 0.82 1.40 2.02 -1.11 -4.89 118.70 120.57 1nj1 s GLU 259 Ca 0.11 -1.22 -0.12 0.00 0.02 0.00 0.00 54.97 53.77 1nj1 s GLU 259 Cb -0.19 -2.38 0.08 0.00 0.10 0.00 0.00 34.13 31.74 1nj1 s GLU 259 CO -0.12 0.39 1.13 0.71 0.02 0.00 0.00 175.26 177.39 1nj1 s TYR 260 N -2.21 2.86 0.33 1.61 1.51 -1.26 -1.44 117.35 118.75 1nj1 s TYR 260 Ca 0.32 0.92 0.06 0.00 -1.01 0.00 0.00 57.07 57.36 1nj1 s TYR 260 Cb -0.07 -3.31 -0.01 0.00 -0.11 0.00 0.00 41.96 38.46 1nj1 s TYR 260 CO 0.23 -1.84 0.47 0.14 -1.11 0.00 0.00 175.55 173.43 1nj1 s VAL 261 N -3.36 4.26 -0.21 0.71 -7.23 -1.03 -4.81 120.40 108.73 1nj1 s VAL 261 Ca 0.62 -0.94 -0.05 0.00 -1.81 0.00 0.00 61.98 59.79 1nj1 s VAL 261 Cb -0.13 -3.49 -0.02 0.00 0.56 0.00 0.00 36.38 33.30 1nj1 s VAL 261 CO 0.52 -0.20 -0.00 -1.00 -0.31 0.00 0.00 175.10 174.10 1nj1 s HIS 262 N -2.18 3.02 0.20 2.82 3.76 0.34 -4.33 115.29 118.91 1nj1 s HIS 262 Ca 0.44 -0.59 0.10 0.00 -0.15 0.00 0.00 55.06 54.85 1nj1 s HIS 262 Cb -0.09 -2.11 -0.04 0.00 1.11 0.00 0.00 32.58 31.44 1nj1 s HIS 262 CO 0.31 -0.35 -0.16 -0.65 -0.85 0.00 0.00 174.74 173.05 1nj1 s GLN 263 N 1.22 1.82 0.08 1.40 -0.21 -0.46 0.44 119.66 123.95 1nj1 s GLN 263 Ca 0.03 -1.43 -0.03 0.00 0.02 0.00 0.00 55.36 53.95 1nj1 s GLN 263 Cb -0.15 -1.99 -0.03 0.00 1.00 0.00 0.00 33.01 31.84 1nj1 s GLN 263 CO 0.01 0.41 0.04 0.95 -2.12 0.00 0.00 175.29 174.58 1nj1 s THR 264 N -1.81 0.18 -0.03 -0.19 -4.23 -1.14 -0.28 115.64 108.15 1nj1 s THR 264 Ca 0.24 -1.68 -0.24 0.00 -1.18 0.00 0.00 61.69 58.83 1nj1 s THR 264 Cb -0.08 -1.58 0.05 0.00 1.34 0.00 0.00 72.50 72.23 1nj1 s THR 264 CO 0.13 -0.81 0.52 0.00 -0.54 0.00 0.00 174.62 173.92 1nj1 s TYR 266 N -1.38 -0.39 0.20 0.00 -0.85 -0.42 0.21 117.35 114.72 1nj1 s TYR 266 Ca -0.11 0.75 -0.11 0.00 -0.52 0.00 0.00 57.07 57.08 1nj1 s TYR 266 Cb -0.02 0.19 -0.00 0.00 0.38 0.00 0.00 41.96 42.51 1nj1 s TYR 266 CO 0.07 -0.39 0.39 0.20 -1.52 0.00 0.00 175.55 174.29 1nj1 s GLY 267 N -0.82 0.46 0.12 5.49 0.00 -0.51 -0.59 107.32 111.47 1nj1 s GLY 267 Ca -0.09 -0.82 0.00 0.00 0.00 0.00 0.00 44.72 43.81 1nj1 s GLY 267 CO 0.04 -0.70 0.01 1.08 0.00 0.00 0.00 173.10 173.54 1nj1 s LEU 268 N -2.98 2.10 0.00 0.66 1.43 -0.73 -2.40 118.68 116.77 1nj1 s LEU 268 Ca 0.19 -1.13 0.00 0.00 -1.03 0.00 0.00 54.13 52.16 1nj1 s LEU 268 Cb 0.01 0.14 0.00 0.00 0.03 0.00 0.00 46.19 46.37 1nj1 s LEU 268 CO 0.03 -0.63 0.00 -1.54 0.23 0.00 0.00 176.35 174.45 1nj1 n SER 269 N -0.08 0.40 0.12 2.29 3.41 -1.26 -1.26 113.62 117.25 1nj1 n SER 269 Ca -0.08 -0.09 0.11 0.00 -0.26 0.00 0.00 58.87 58.55 1nj1 n SER 269 Cb 0.63 0.00 0.48 0.00 -0.26 0.00 0.00 64.21 65.06 1nj1 n SER 269 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1nj1 n ASP 270 N -0.23 0.56 -0.08 4.04 10.43 -1.24 -2.46 116.55 127.57 1nj1 n ASP 270 Ca 0.00 0.67 0.14 0.00 2.57 0.00 0.00 54.79 58.17 1nj1 n ASP 270 Cb 0.00 -0.78 0.53 0.00 1.84 0.00 0.00 41.12 42.71 1nj1 n ASP 270 CO 0.00 0.00 0.00 0.03 -1.07 0.00 0.00 177.20 176.16 1nj1 h ARG 271 N 0.00 0.34 -0.46 -1.24 3.08 -1.87 0.29 114.38 114.52 1nj1 h ARG 271 Ca 0.00 -0.02 0.02 0.00 0.07 0.00 0.00 59.98 60.05 1nj1 h ARG 271 Cb 0.24 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.19 1nj1 h ARG 271 CO 0.00 0.22 0.31 0.28 -1.07 0.00 0.00 179.97 179.71 1nj1 h VAL 272 N 0.35 1.09 0.16 2.04 2.07 -1.79 0.52 116.25 120.69 1nj1 h VAL 272 Ca 0.29 -0.20 -0.29 0.00 0.82 0.00 0.00 66.70 67.32 1nj1 h VAL 272 Cb 0.65 0.46 0.02 0.00 -1.52 0.00 0.00 31.29 30.90 1nj1 h VAL 272 CO -0.07 0.10 -1.30 0.40 0.02 0.00 0.00 177.57 176.72 1nj1 h ILE 273 N 0.58 1.42 -0.18 4.57 2.04 -0.68 -2.54 117.51 122.71 1nj1 h ILE 273 Ca 0.18 -2.89 0.02 0.00 1.00 0.00 0.00 64.86 63.17 1nj1 h ILE 273 Cb 0.00 2.93 -0.02 0.00 -0.74 0.00 0.00 36.82 39.00 1nj1 h ILE 273 CO -0.04 0.85 0.04 0.00 0.00 0.00 0.00 178.15 179.00 1nj1 h ALA 274 N 0.44 0.18 -0.26 1.87 0.00 -0.54 -1.83 119.26 119.13 1nj1 h ALA 274 Ca -0.17 0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.69 1nj1 h ALA 274 Cb 2.01 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.83 1nj1 h ALA 274 CO 0.23 -0.40 -0.20 0.66 0.00 0.00 0.00 179.25 179.53 1nj1 h SER 275 N 0.11 0.46 0.11 0.00 4.64 -0.96 0.36 113.55 118.27 1nj1 h SER 275 Ca 0.08 -0.14 -0.07 0.00 -0.47 0.00 0.00 61.79 61.19 1nj1 h SER 275 Cb 0.08 -0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 62.03 1nj1 h SER 275 CO -0.11 0.68 -0.25 1.62 -0.87 0.00 0.00 176.83 177.90 1nj1 h VAL 276 N 0.42 1.24 0.02 0.95 3.04 -1.11 0.30 116.25 121.11 1nj1 h VAL 276 Ca 0.07 -1.10 -0.00 0.00 -1.01 0.00 0.00 66.70 64.66 1nj1 h VAL 276 Cb 0.60 1.41 0.00 0.00 -2.01 0.00 0.00 31.29 31.29 1nj1 h VAL 276 CO 0.04 0.33 -0.01 0.40 -1.01 0.00 0.00 177.57 177.33 1nj1 h ILE 277 N 0.22 1.47 0.24 3.17 2.04 -0.57 -3.23 117.51 120.86 1nj1 h ILE 277 Ca 0.04 -1.56 -0.01 0.00 1.00 0.00 0.00 64.86 64.32 1nj1 h ILE 277 Cb 0.56 2.51 0.00 0.00 -0.74 0.00 0.00 36.82 39.15 1nj1 h ILE 277 CO 0.04 0.40 -0.12 0.00 0.00 0.00 0.00 178.15 178.47 1nj1 h ALA 278 N 0.24 -0.32 -0.27 1.87 0.00 -0.04 -2.20 119.26 118.54 1nj1 h ALA 278 Ca -0.00 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1nj1 h ALA 278 Cb 0.67 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 1nj1 h ALA 278 CO 0.00 -0.57 0.18 0.82 0.00 0.00 0.00 179.25 179.68 1nj1 h ILE 279 N -0.55 1.08 -0.36 0.00 2.04 -0.57 -1.54 117.51 117.61 1nj1 h ILE 279 Ca -0.03 -0.16 0.00 0.00 1.00 0.00 0.00 64.86 65.67 1nj1 h ILE 279 Cb 0.41 0.70 0.00 0.00 -0.74 0.00 0.00 36.82 37.18 1nj1 h ILE 279 CO 0.05 0.08 0.00 1.41 0.00 0.00 0.00 178.15 179.69 1nj1 n HIS 280 N -4.89 0.84 -0.64 1.37 8.25 -1.22 -4.93 115.22 114.01 1nj1 n HIS 280 Ca -0.02 -0.33 -0.22 0.00 -0.26 0.00 0.00 57.72 56.89 1nj1 n HIS 280 Cb 0.03 -0.16 0.12 0.00 1.12 0.00 0.00 29.99 31.11 1nj1 n HIS 280 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1nj1 n GLY 281 N 0.76 -2.40 3.82 -1.41 0.00 -0.58 -3.75 105.19 101.63 1nj1 n GLY 281 Ca 0.14 -0.63 -0.03 0.00 0.00 0.00 0.00 46.02 45.50 1nj1 n GLY 281 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1nj1 s ASP 282 N -1.72 -0.06 0.07 1.61 2.15 -0.96 -4.80 116.67 112.97 1nj1 s ASP 282 Ca 0.36 -0.53 0.10 0.00 0.43 0.00 0.00 52.55 52.91 1nj1 s ASP 282 Cb -0.04 0.46 -0.20 0.00 -0.30 0.00 0.00 42.92 42.83 1nj1 s ASP 282 CO 0.41 -0.89 1.05 -0.33 -0.17 0.00 0.00 175.17 175.24 1nj1 h GLU 283 N 2.00 0.00 -0.00 4.34 4.39 -1.99 -3.20 114.58 120.13 1nj1 h GLU 283 Ca -0.27 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.43 1nj1 h GLU 283 Cb 1.22 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.87 1nj1 h GLU 283 CO 0.32 0.78 -0.05 0.43 -1.16 0.00 0.00 179.01 179.32 1nj1 n SER 284 N -3.22 0.07 0.00 1.42 7.64 -1.26 -5.02 113.62 113.24 1nj1 n SER 284 Ca -0.06 0.26 0.00 0.00 1.01 0.00 0.00 58.87 60.08 1nj1 n SER 284 Cb 0.97 -0.37 0.00 0.00 -1.01 0.00 0.00 64.21 63.80 1nj1 n SER 284 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1nj1 n GLY 285 N 1.45 0.25 3.84 0.23 0.00 -1.21 -3.59 105.19 106.16 1nj1 n GLY 285 Ca 0.08 -1.35 -0.35 0.00 0.00 0.00 0.00 46.02 44.41 1nj1 n GLY 285 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1nj1 s LEU 286 N 0.00 4.28 -0.10 0.99 1.43 -0.43 -2.25 118.68 122.60 1nj1 s LEU 286 Ca 0.00 1.23 -0.03 0.00 -1.03 0.00 0.00 54.13 54.30 1nj1 s LEU 286 Cb 0.00 -3.57 0.04 0.00 0.03 0.00 0.00 46.19 42.69 1nj1 s LEU 286 CO 0.00 0.00 0.05 0.00 0.23 0.00 0.00 176.35 176.63 1nj1 s LEU 288 N 2.07 2.33 0.24 0.00 1.43 -1.24 -4.58 118.68 118.93 1nj1 s LEU 288 Ca 0.04 -0.72 -0.31 0.00 -1.03 0.00 0.00 54.13 52.10 1nj1 s LEU 288 Cb -0.14 -0.81 -0.12 0.00 0.03 0.00 0.00 46.19 45.16 1nj1 s LEU 288 CO -0.06 0.01 1.69 -2.84 0.23 0.00 0.00 176.35 175.39 1nj1 s PRO 289 N -2.11 4.12 0.34 1.29 0.02 -1.26 -4.69 135.00 132.70 1nj1 s PRO 289 Ca 0.07 2.61 0.18 0.00 0.02 0.00 0.00 61.00 63.88 1nj1 s PRO 289 Cb -0.09 -3.05 1.20 0.00 0.02 0.00 0.00 34.50 32.57 1nj1 s PRO 289 CO 0.04 -0.73 1.47 -2.30 -0.33 0.00 0.00 177.00 175.16 1nj1 n PRO 290 N 3.42 -0.06 0.00 5.54 -0.02 -1.26 0.21 135.00 142.83 1nj1 n PRO 290 Ca 0.14 1.30 0.09 0.00 -2.02 0.00 0.00 63.50 63.00 1nj1 n PRO 290 Cb 0.36 -2.30 0.52 0.00 -0.02 0.00 0.00 33.50 32.06 1nj1 n PRO 290 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1nj1 n ASP 291 N -5.13 0.00 -0.03 2.55 8.00 -1.26 -3.53 116.55 117.15 1nj1 n ASP 291 Ca 0.34 -1.40 -0.03 0.00 0.71 0.00 0.00 54.79 54.41 1nj1 n ASP 291 Cb 1.15 0.00 -0.05 0.00 -0.02 0.00 0.00 41.12 42.20 1nj1 n ASP 291 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 1nj1 n VAL 292 N -0.78 0.40 -1.78 2.53 0.31 0.13 -4.66 118.33 114.48 1nj1 n VAL 292 Ca 0.13 -0.25 -0.37 0.00 -0.01 0.00 0.00 64.34 63.84 1nj1 n VAL 292 Cb 0.06 -0.79 0.06 0.00 -0.91 0.00 0.00 33.84 32.27 1nj1 n VAL 292 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1nj1 s ALA 293 N -2.16 2.44 0.45 3.52 0.00 -1.11 -4.46 121.76 120.44 1nj1 s ALA 293 Ca -0.03 1.21 0.12 0.00 0.00 0.00 0.00 51.96 53.26 1nj1 s ALA 293 Cb 0.02 -3.55 1.00 0.00 0.00 0.00 0.00 23.12 20.59 1nj1 s ALA 293 CO 0.25 -1.53 2.02 0.00 0.00 0.00 0.00 175.76 176.51 1nj1 h ALA 294 N 0.68 1.73 -3.79 0.00 0.00 -1.88 -3.41 119.26 112.59 1nj1 h ALA 294 Ca -0.51 -0.11 -0.30 0.00 0.00 0.00 0.00 54.91 53.99 1nj1 h ALA 294 Cb 1.33 -0.06 -0.29 0.00 0.00 0.00 0.00 17.79 18.77 1nj1 h ALA 294 CO 0.54 0.20 -0.74 -1.01 0.00 0.00 0.00 179.25 178.24 1nj1 s HIS 295 N -4.90 0.30 -0.08 0.00 0.09 -1.26 -4.93 115.29 104.52 1nj1 s HIS 295 Ca -0.05 -0.05 0.14 0.00 -0.00 0.00 0.00 55.06 55.10 1nj1 s HIS 295 Cb 0.16 -0.23 -0.23 0.00 -0.00 0.00 0.00 32.58 32.28 1nj1 s HIS 295 CO 0.70 -0.02 0.55 1.04 -0.00 0.00 0.00 174.74 177.01 1nj1 n GLN 296 N 3.17 0.64 -3.70 1.40 6.02 0.75 -4.16 117.38 121.50 1nj1 n GLN 296 Ca -0.15 0.23 -0.18 0.00 -0.01 0.00 0.00 57.00 56.90 1nj1 n GLN 296 Cb 0.58 -1.74 -0.17 0.00 1.02 0.00 0.00 30.24 29.93 1nj1 n GLN 296 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1nj1 s VAL 297 N -2.59 -0.11 -0.24 5.09 1.01 -1.19 -2.10 120.40 120.28 1nj1 s VAL 297 Ca -0.06 0.35 -0.04 0.00 0.00 0.00 0.00 61.98 62.24 1nj1 s VAL 297 Cb 0.08 -0.15 0.01 0.00 0.00 0.00 0.00 36.38 36.31 1nj1 s VAL 297 CO 0.83 0.15 -0.03 0.54 0.00 0.00 0.00 175.10 176.58 1nj1 s VAL 298 N 1.82 3.28 -0.21 2.92 0.11 -0.52 -1.28 120.40 126.52 1nj1 s VAL 298 Ca 0.00 -0.71 -0.23 0.00 -2.93 0.00 0.00 61.98 58.11 1nj1 s VAL 298 Cb -0.12 -2.58 -0.02 0.00 -1.53 0.00 0.00 36.38 32.13 1nj1 s VAL 298 CO -0.03 0.30 0.74 -0.63 -3.33 0.00 0.00 175.10 172.14 1nj1 s ILE 299 N 1.43 4.92 -0.29 7.04 1.01 0.19 -1.53 121.20 133.97 1nj1 s ILE 299 Ca 0.03 1.40 0.00 0.00 0.00 0.00 0.00 60.65 62.09 1nj1 s ILE 299 Cb -0.15 -4.04 0.06 0.00 0.01 0.00 0.00 42.46 38.33 1nj1 s ILE 299 CO -0.03 0.02 -0.04 -0.69 0.00 0.00 0.00 174.94 174.20 1nj1 s VAL 300 N 2.36 2.62 0.08 2.92 1.01 0.73 -1.06 120.40 129.05 1nj1 s VAL 300 Ca 0.32 -1.55 -0.29 0.00 0.00 0.00 0.00 61.98 60.46 1nj1 s VAL 300 Cb -0.16 -2.55 -0.05 0.00 0.00 0.00 0.00 36.38 33.63 1nj1 s VAL 300 CO 0.10 -0.11 0.93 -2.16 0.00 0.00 0.00 175.10 173.85 1nj1 s PRO 301 N 1.17 4.64 -0.30 2.72 0.04 -1.26 -2.59 135.00 139.41 1nj1 s PRO 301 Ca -0.06 1.38 -0.11 0.00 0.04 0.00 0.00 61.00 62.24 1nj1 s PRO 301 Cb -0.20 -3.39 -0.04 0.00 0.04 0.00 0.00 34.50 30.91 1nj1 s PRO 301 CO -0.03 0.17 0.20 0.42 0.04 0.00 0.00 177.00 177.80 1nj1 s ILE 302 N 0.19 5.28 -0.07 0.56 -1.09 0.29 -4.92 121.20 121.45 1nj1 s ILE 302 Ca 0.46 0.04 -0.06 0.00 -2.23 0.00 0.00 60.65 58.87 1nj1 s ILE 302 Cb -0.22 -3.58 0.02 0.00 -1.58 0.00 0.00 42.46 37.10 1nj1 s ILE 302 CO 0.28 0.17 0.18 -0.63 -1.23 0.00 0.00 174.94 173.71 1nj1 s ILE 303 N 1.74 -0.01 -0.29 2.92 1.01 -1.26 -4.35 121.20 120.97 1nj1 s ILE 303 Ca 0.07 0.02 0.17 0.00 0.00 0.00 0.00 60.65 60.91 1nj1 s ILE 303 Cb -0.16 -0.26 0.48 0.00 0.01 0.00 0.00 42.46 42.53 1nj1 s ILE 303 CO 0.11 0.01 1.11 0.49 0.00 0.00 0.00 174.94 176.66 1nj1 n PHE 304 N 3.17 1.78 -3.02 3.97 3.01 -1.26 -4.97 117.46 120.14 1nj1 n PHE 304 Ca -0.14 -2.31 -0.13 0.00 1.01 0.00 0.00 57.45 55.88 1nj1 n PHE 304 Cb 0.58 -0.27 0.06 0.00 -0.01 0.00 0.00 39.48 39.84 1nj1 n PHE 304 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 1nj1 n LYS 305 N -0.55 -2.76 -3.17 -1.08 5.02 -1.26 -5.01 118.16 109.34 1nj1 n LYS 305 Ca 0.19 0.72 0.01 0.00 -2.02 0.00 0.00 58.31 57.21 1nj1 n LYS 305 Cb 0.84 -5.17 -0.01 0.00 -0.02 0.00 0.00 35.03 30.67 1nj1 n LYS 305 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1nj1 s LYS 306 N -4.40 0.80 -0.17 1.97 1.02 -1.26 -4.89 119.74 112.82 1nj1 s LYS 306 Ca 0.29 -0.28 0.00 0.00 0.02 0.00 0.00 55.97 56.00 1nj1 s LYS 306 Cb -0.04 0.09 0.00 0.00 -0.52 0.00 0.00 37.83 37.36 1nj1 s LYS 306 CO 0.62 -1.16 0.00 0.00 -0.92 0.00 0.00 175.35 173.89 1nj1 n ALA 307 N 4.33 -0.02 -0.06 5.17 0.00 -1.26 -4.78 120.51 123.89 1nj1 n ALA 307 Ca 0.11 0.03 -0.10 0.00 0.00 0.00 0.00 53.44 53.48 1nj1 n ALA 307 Cb 0.57 -0.61 -0.04 0.00 0.00 0.00 0.00 19.45 19.37 1nj1 n ALA 307 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1nj1 h ALA 308 N 0.00 -0.40 -1.04 0.00 0.00 -1.96 -0.02 119.26 115.84 1nj1 h ALA 308 Ca -0.03 0.05 0.29 0.00 0.00 0.00 0.00 54.91 55.22 1nj1 h ALA 308 Cb 0.10 0.76 -0.05 0.00 0.00 0.00 0.00 17.79 18.60 1nj1 h ALA 308 CO 0.05 -0.83 0.73 0.93 0.00 0.00 0.00 179.25 180.13 1nj1 h GLU 309 N -0.37 0.08 0.00 0.00 5.08 -1.99 0.26 114.58 117.64 1nj1 h GLU 309 Ca 0.12 -0.00 -0.23 0.00 -1.00 0.00 0.00 59.36 58.25 1nj1 h GLU 309 Cb 0.58 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.77 1nj1 h GLU 309 CO -0.47 0.05 -1.37 0.93 -1.00 0.00 0.00 179.01 177.15 1nj1 h GLU 310 N 0.08 0.00 0.01 2.33 5.08 -1.48 -2.97 114.58 117.63 1nj1 h GLU 310 Ca 0.51 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.87 1nj1 h GLU 310 Cb 1.88 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.13 1nj1 h GLU 310 CO -0.06 0.58 -0.00 0.28 -1.00 0.00 0.00 179.01 178.81 1nj1 h VAL 311 N 0.00 1.49 -0.31 3.13 2.07 0.92 -2.74 116.25 120.81 1nj1 h VAL 311 Ca -0.17 -1.52 0.05 0.00 0.82 0.00 0.00 66.70 65.88 1nj1 h VAL 311 Cb 1.81 2.51 -0.04 0.00 -1.52 0.00 0.00 31.29 34.05 1nj1 h VAL 311 CO 0.08 0.39 0.04 0.24 0.02 0.00 0.00 177.57 178.34 1nj1 h MET 312 N -0.66 0.14 0.00 1.57 2.86 -0.78 0.10 114.93 118.15 1nj1 h MET 312 Ca -0.00 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 1nj1 h MET 312 Cb 0.65 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.28 1nj1 h MET 312 CO 0.00 0.09 0.00 0.39 1.06 0.00 0.00 176.91 178.45 1nj1 n GLU 313 N -5.12 0.11 0.04 1.72 1.02 -1.12 -1.22 120.64 116.07 1nj1 n GLU 313 Ca 0.00 0.42 -0.13 0.00 -0.02 0.00 0.00 57.16 57.44 1nj1 n GLU 313 Cb 0.15 -1.75 -0.14 0.00 -0.02 0.00 0.00 31.44 29.68 1nj1 n GLU 313 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1nj1 h ALA 314 N 2.25 0.43 -0.02 0.62 0.00 -0.70 -2.93 119.26 118.91 1nj1 h ALA 314 Ca 0.00 -1.17 -0.05 0.00 0.00 0.00 0.00 54.91 53.69 1nj1 h ALA 314 Cb 0.24 0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1nj1 h ALA 314 CO 0.00 1.29 -0.18 0.00 0.00 0.00 0.00 179.25 180.35 1nj1 h ARG 316 N -0.46 0.41 -0.54 0.00 3.08 -1.31 0.36 114.38 115.92 1nj1 h ARG 316 Ca -0.02 -0.02 0.06 0.00 0.07 0.00 0.00 59.98 60.07 1nj1 h ARG 316 Cb 0.88 -0.09 -0.05 0.00 0.08 0.00 0.00 29.97 30.79 1nj1 h ARG 316 CO 0.04 0.27 0.25 1.49 -1.07 0.00 0.00 179.97 180.95 1nj1 h GLU 317 N 0.42 0.47 -0.19 0.04 4.22 -1.56 -1.85 114.58 116.12 1nj1 h GLU 317 Ca 0.20 -0.03 -0.01 0.00 0.08 0.00 0.00 59.36 59.60 1nj1 h GLU 317 Cb 0.13 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 1nj1 h GLU 317 CO -0.15 0.31 0.10 1.25 -2.18 0.00 0.00 179.01 178.34 1nj1 h LEU 318 N 0.49 0.25 0.39 1.64 5.85 -0.49 -1.63 115.31 121.80 1nj1 h LEU 318 Ca 0.25 -0.10 -0.01 0.00 0.84 0.00 0.00 57.88 58.86 1nj1 h LEU 318 Cb 0.20 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.14 1nj1 h LEU 318 CO -0.20 0.28 -0.48 -0.09 -0.34 0.00 0.00 178.44 177.61 1nj1 h ARG 319 N 0.19 -0.86 -0.70 1.25 2.43 0.14 0.15 114.38 116.98 1nj1 h ARG 319 Ca 0.07 0.06 0.15 0.00 -0.81 0.00 0.00 59.98 59.45 1nj1 h ARG 319 Cb 0.09 0.20 -0.12 0.00 -0.42 0.00 0.00 29.97 29.72 1nj1 h ARG 319 CO -0.01 -0.57 0.02 0.77 -1.51 0.00 0.00 179.97 178.67 1nj1 h SER 320 N -0.89 -0.28 -0.65 -3.80 0.02 -1.35 0.27 113.55 106.87 1nj1 h SER 320 Ca -0.05 0.17 0.05 0.00 -0.84 0.00 0.00 61.79 61.13 1nj1 h SER 320 Cb 0.80 0.30 -0.04 0.00 0.14 0.00 0.00 62.40 63.60 1nj1 h SER 320 CO -0.11 -0.14 0.43 -0.09 -1.14 0.00 0.00 176.83 175.79 1nj1 h ARG 321 N 0.13 0.67 0.14 3.45 2.43 -0.69 -1.43 114.38 119.07 1nj1 h ARG 321 Ca 0.38 -0.04 -0.28 0.00 -0.81 0.00 0.00 59.98 59.22 1nj1 h ARG 321 Cb 0.64 -0.15 0.03 0.00 -0.42 0.00 0.00 29.97 30.07 1nj1 h ARG 321 CO -0.59 0.44 -1.19 -0.07 -1.51 0.00 0.00 179.97 177.05 1nj1 h LEU 322 N 0.69 0.80 -0.31 3.80 3.38 0.14 -3.00 115.31 120.82 1nj1 h LEU 322 Ca 0.28 -0.85 0.06 0.00 0.09 0.00 0.00 57.88 57.45 1nj1 h LEU 322 Cb 0.21 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 40.66 1nj1 h LEU 322 CO -0.08 1.58 -0.03 -0.33 0.09 0.00 0.00 178.44 179.67 1nj1 h GLU 323 N 0.14 0.05 0.00 1.13 5.08 -0.24 0.81 114.58 121.56 1nj1 h GLU 323 Ca -0.19 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.17 1nj1 h GLU 323 Cb 1.89 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 31.13 1nj1 h GLU 323 CO 0.23 0.03 0.00 0.00 -1.00 0.00 0.00 179.01 178.27 1nj1 h ALA 324 N 1.28 1.00 -0.00 3.43 0.00 -1.36 -0.63 119.26 122.98 1nj1 h ALA 324 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1nj1 h ALA 324 Cb 0.21 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1nj1 h ALA 324 CO -0.28 0.00 -0.31 0.00 0.00 0.00 0.00 179.25 178.67 1nj1 n ALA 325 N -2.03 3.12 0.00 0.00 0.00 0.20 -4.92 120.51 116.88 1nj1 n ALA 325 Ca -0.01 -0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.13 1nj1 n ALA 325 Cb 0.15 -1.22 0.00 0.00 0.00 0.00 0.00 19.45 18.37 1nj1 n ALA 325 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nj1 n GLY 326 N 1.44 1.09 3.86 0.00 0.00 -0.24 -5.08 105.19 106.26 1nj1 n GLY 326 Ca 0.08 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.78 1nj1 n GLY 326 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1nj1 s PHE 327 N -2.00 3.41 -1.02 1.61 0.40 -0.72 -5.00 117.98 114.65 1nj1 s PHE 327 Ca 0.00 1.14 -0.12 0.00 -0.60 0.00 0.00 56.93 57.35 1nj1 s PHE 327 Cb 0.00 -2.49 0.24 0.00 0.51 0.00 0.00 43.02 41.28 1nj1 s PHE 327 CO 0.00 0.04 1.05 1.03 0.70 0.00 0.00 175.22 178.04 1nj1 s ARG 328 N -3.24 3.97 0.16 0.44 0.52 -1.26 -4.39 118.95 115.15 1nj1 s ARG 328 Ca 0.53 -2.81 0.05 0.00 -0.52 0.00 0.00 55.73 52.97 1nj1 s ARG 328 Cb -0.10 -4.61 -0.04 0.00 0.52 0.00 0.00 34.95 30.72 1nj1 s ARG 328 CO 0.22 -1.36 0.17 0.54 0.02 0.00 0.00 175.30 174.89 1nj1 s VAL 329 N -0.20 4.67 -0.04 3.52 0.11 -1.26 -0.18 120.40 127.01 1nj1 s VAL 329 Ca 0.28 -1.01 -0.02 0.00 -2.93 0.00 0.00 61.98 58.31 1nj1 s VAL 329 Cb -0.09 -3.39 0.03 0.00 -1.53 0.00 0.00 36.38 31.40 1nj1 s VAL 329 CO -0.07 -0.12 0.08 -2.28 -3.33 0.00 0.00 175.10 169.38 1nj1 s HIS 330 N -1.76 -0.01 -0.46 1.54 5.04 -0.40 -4.99 115.29 114.25 1nj1 s HIS 330 Ca 0.32 0.30 -0.20 0.00 -1.54 0.00 0.00 55.06 53.94 1nj1 s HIS 330 Cb -0.10 -0.34 0.03 0.00 0.04 0.00 0.00 32.58 32.21 1nj1 s HIS 330 CO 0.25 -0.17 0.60 -1.17 -2.34 0.00 0.00 174.74 171.91 1nj1 s LEU 331 N 1.81 4.69 -1.06 8.88 2.96 -1.26 -0.64 118.68 134.06 1nj1 s LEU 331 Ca -0.00 -0.56 -0.18 0.00 -0.22 0.00 0.00 54.13 53.17 1nj1 s LEU 331 Cb -0.12 -2.59 0.13 0.00 0.50 0.00 0.00 46.19 44.11 1nj1 s LEU 331 CO -0.04 -0.78 1.32 -0.62 -1.32 0.00 0.00 176.35 174.91 1nj1 s ASP 332 N 2.17 6.76 -0.18 3.68 -1.08 -0.22 -4.79 116.67 123.02 1nj1 s ASP 332 Ca 0.19 -2.29 0.11 0.00 -0.52 0.00 0.00 52.55 50.04 1nj1 s ASP 332 Cb -0.16 -2.44 0.63 0.00 -1.46 0.00 0.00 42.92 39.49 1nj1 s ASP 332 CO 0.16 -1.04 1.46 -0.90 0.52 0.00 0.00 175.17 175.38 1nj1 n ASP 333 N 6.76 4.60 -4.56 -0.34 5.75 -1.26 -4.40 116.55 123.10 1nj1 n ASP 333 Ca 0.31 -2.69 -0.30 0.00 -0.01 0.00 0.00 54.79 52.10 1nj1 n ASP 333 Cb 0.47 -0.63 0.20 0.00 -1.03 0.00 0.00 41.12 40.13 1nj1 n ASP 333 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1nj1 n ARG 334 N 0.52 -1.28 -2.95 0.11 1.74 -1.26 -4.91 116.66 108.63 1nj1 n ARG 334 Ca 0.21 -0.32 -0.43 0.00 -0.77 0.00 0.00 57.85 56.54 1nj1 n ARG 334 Cb 0.96 -2.24 0.01 0.00 -1.02 0.00 0.00 32.46 30.18 1nj1 n ARG 334 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1nj1 n ASP 335 N -4.24 6.57 -4.22 0.55 -0.08 -1.26 -4.96 116.55 108.92 1nj1 n ASP 335 Ca 0.08 -3.46 -0.13 0.00 -1.51 0.00 0.00 54.79 49.77 1nj1 n ASP 335 Cb 0.53 -1.25 -0.10 0.00 2.34 0.00 0.00 41.12 42.64 1nj1 n ASP 335 CO 0.00 0.00 0.00 -0.63 0.12 0.00 0.00 177.20 176.69 1nj1 s ILE 336 N -3.07 0.17 0.09 5.18 1.01 -1.26 -5.12 121.20 118.20 1nj1 s ILE 336 Ca 0.32 -1.98 -0.31 0.00 0.00 0.00 0.00 60.65 58.68 1nj1 s ILE 336 Cb 0.07 -2.42 -0.08 0.00 0.01 0.00 0.00 42.46 40.04 1nj1 s ILE 336 CO 0.07 -0.11 1.50 0.00 0.00 0.00 0.00 174.94 176.40 1nj1 s ARG 337 N -4.10 4.26 0.59 2.79 1.70 -1.26 -4.86 118.95 118.06 1nj1 s ARG 337 Ca 0.35 2.18 0.33 0.00 -0.47 0.00 0.00 55.73 58.12 1nj1 s ARG 337 Cb 0.07 -3.39 1.31 0.00 -0.57 0.00 0.00 34.95 32.37 1nj1 s ARG 337 CO 0.10 -0.58 1.60 0.00 -1.08 0.00 0.00 175.30 175.33 1nj1 h ALA 338 N 7.44 2.91 0.47 7.88 0.00 -1.97 0.34 119.26 136.33 1nj1 h ALA 338 Ca -0.41 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.44 1nj1 h ALA 338 Cb 1.20 0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1nj1 h ALA 338 CO 0.90 -1.52 -0.22 0.78 0.00 0.00 0.00 179.25 179.19 1nj1 h GLY 339 N 0.00 -0.65 0.48 0.00 0.00 -2.00 -0.93 103.07 99.97 1nj1 h GLY 339 Ca 0.49 0.24 0.10 0.00 0.00 0.00 0.00 47.33 48.17 1nj1 h GLY 339 CO -0.01 -0.24 0.49 -0.09 0.00 0.00 0.00 176.54 176.70 1nj1 h ARG 340 N -0.73 0.78 -0.00 4.80 9.65 -1.31 -1.12 114.38 126.45 1nj1 h ARG 340 Ca -0.06 -0.05 0.02 0.00 -1.10 0.00 0.00 59.98 58.79 1nj1 h ARG 340 Cb 0.53 -0.18 -0.02 0.00 -1.39 0.00 0.00 29.97 28.91 1nj1 h ARG 340 CO 0.10 0.52 -0.10 0.87 2.80 0.00 0.00 179.97 184.17 1nj1 h LYS 341 N 0.81 -0.16 -0.45 0.20 1.57 -1.32 -1.01 116.57 116.21 1nj1 h LYS 341 Ca 0.42 0.01 0.09 0.00 -1.87 0.00 0.00 60.65 59.30 1nj1 h LYS 341 Cb 0.41 0.04 -0.09 0.00 0.08 0.00 0.00 32.23 32.67 1nj1 h LYS 341 CO -0.26 -0.10 -0.15 1.88 -0.57 0.00 0.00 179.45 180.25 1nj1 h TYR 342 N -0.16 -0.34 -0.07 -1.35 0.99 0.02 -1.90 116.97 114.16 1nj1 h TYR 342 Ca 0.04 0.04 0.03 0.00 2.00 0.00 0.00 58.73 60.84 1nj1 h TYR 342 Cb 0.21 0.22 -0.03 0.00 1.00 0.00 0.00 36.73 38.13 1nj1 h TYR 342 CO -0.16 -0.23 -0.11 -0.92 -0.00 0.00 0.00 178.16 176.74 1nj1 h TYR 343 N -0.04 -0.28 0.33 4.88 3.20 -0.92 -1.65 116.97 122.47 1nj1 h TYR 343 Ca 0.22 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.09 1nj1 h TYR 343 Cb 0.37 0.14 -0.02 0.00 1.54 0.00 0.00 36.73 38.76 1nj1 h TYR 343 CO -0.42 -0.17 -0.39 0.93 -1.64 0.00 0.00 178.16 176.48 1nj1 h GLU 344 N -0.16 -0.70 0.00 1.82 5.08 -0.46 0.15 114.58 120.32 1nj1 h GLU 344 Ca 0.07 0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 1nj1 h GLU 344 Cb 0.25 0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.66 1nj1 h GLU 344 CO -0.17 -0.47 0.00 -1.49 -1.00 0.00 0.00 179.01 175.89 1nj1 h TRP 345 N -0.73 0.00 0.15 4.33 4.06 -1.40 -0.79 115.95 121.58 1nj1 h TRP 345 Ca -0.04 0.00 -0.30 0.00 2.06 0.00 0.00 58.89 60.61 1nj1 h TRP 345 Cb 0.64 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.81 1nj1 h TRP 345 CO -0.25 0.00 -1.49 1.49 -3.56 0.00 0.00 178.44 174.63 1nj1 h GLU 346 N 0.00 0.31 0.00 0.49 4.81 -0.67 -1.02 114.58 118.50 1nj1 h GLU 346 Ca 0.00 -0.53 0.00 0.00 -0.13 0.00 0.00 59.36 58.70 1nj1 h GLU 346 Cb 0.16 0.20 0.00 0.00 0.63 0.00 0.00 28.75 29.74 1nj1 h GLU 346 CO 0.00 1.25 0.00 0.00 -0.73 0.00 0.00 179.01 179.53 1nj1 h MET 347 N -0.15 0.00 -0.01 1.92 -0.00 0.04 -2.60 114.93 114.13 1nj1 h MET 347 Ca -0.31 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.39 1nj1 h MET 347 Cb 1.88 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 33.48 1nj1 h MET 347 CO 0.11 0.00 -0.28 0.54 -0.00 0.00 0.00 176.91 177.28 1nj1 n ARG 348 N -2.42 0.69 -0.55 -0.10 1.74 -0.37 -1.31 116.66 114.33 1nj1 n ARG 348 Ca 0.03 -0.39 0.00 0.00 -0.77 0.00 0.00 57.85 56.72 1nj1 n ARG 348 Cb 0.33 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 30.28 1nj1 n ARG 348 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1nj1 n GLY 349 N 1.36 0.73 3.69 -0.13 0.00 -0.98 -4.82 105.19 105.03 1nj1 n GLY 349 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 1nj1 n GLY 349 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1nj1 s VAL 350 N -2.07 2.88 0.08 1.61 1.01 -0.40 -3.62 120.40 119.90 1nj1 s VAL 350 Ca 0.00 0.33 -0.32 0.00 0.00 0.00 0.00 61.98 61.99 1nj1 s VAL 350 Cb 0.00 -3.21 -0.16 0.00 0.00 0.00 0.00 36.38 33.01 1nj1 s VAL 350 CO 0.00 -0.00 1.63 -0.65 0.00 0.00 0.00 175.10 176.07 1nj1 h PRO 351 N 8.56 -0.76 -6.34 2.72 0.11 -1.72 -3.42 132.00 131.14 1nj1 h PRO 351 Ca -0.44 0.05 -0.69 0.00 0.11 0.00 0.00 66.00 65.03 1nj1 h PRO 351 Cb 1.21 0.17 -0.28 0.00 0.11 0.00 0.00 31.00 32.21 1nj1 h PRO 351 CO 0.94 -0.51 -0.85 -0.51 -0.21 0.00 0.00 178.00 176.86 1nj1 s LEU 352 N -10.12 2.29 -0.15 2.35 1.43 -0.89 -1.42 118.68 112.17 1nj1 s LEU 352 Ca -0.17 -0.39 0.02 0.00 -1.03 0.00 0.00 54.13 52.56 1nj1 s LEU 352 Cb 0.05 -1.42 0.01 0.00 0.03 0.00 0.00 46.19 44.85 1nj1 s LEU 352 CO 0.63 0.30 -0.20 -0.60 0.23 0.00 0.00 176.35 176.71 1nj1 s ARG 353 N -0.50 3.06 -0.26 1.70 3.52 -0.73 -1.44 118.95 124.29 1nj1 s ARG 353 Ca 0.06 -0.83 -0.06 0.00 -0.13 0.00 0.00 55.73 54.78 1nj1 s ARG 353 Cb -0.11 -2.49 0.00 0.00 -1.56 0.00 0.00 34.95 30.79 1nj1 s ARG 353 CO 0.01 -0.03 0.04 0.08 -0.81 0.00 0.00 175.30 174.59 1nj1 s VAL 354 N 0.86 3.78 -0.11 7.11 1.01 -0.58 -0.79 120.40 131.67 1nj1 s VAL 354 Ca -0.06 -0.59 -0.04 0.00 0.00 0.00 0.00 61.98 61.30 1nj1 s VAL 354 Cb -0.15 -2.86 -0.03 0.00 0.00 0.00 0.00 36.38 33.33 1nj1 s VAL 354 CO -0.02 0.22 0.03 -1.61 0.00 0.00 0.00 175.10 173.71 1nj1 s GLU 355 N 1.50 3.26 -0.08 2.72 2.02 0.29 -0.19 118.70 128.21 1nj1 s GLU 355 Ca 0.04 -0.36 -0.00 0.00 0.02 0.00 0.00 54.97 54.66 1nj1 s GLU 355 Cb -0.16 -2.93 0.02 0.00 0.10 0.00 0.00 34.13 31.16 1nj1 s GLU 355 CO 0.01 0.61 -0.05 0.42 0.02 0.00 0.00 175.26 176.27 1nj1 s ILE 356 N -0.61 0.72 0.34 -1.63 1.01 -1.07 -1.75 121.20 118.22 1nj1 s ILE 356 Ca 0.10 -0.14 0.05 0.00 0.00 0.00 0.00 60.65 60.66 1nj1 s ILE 356 Cb -0.12 -0.78 -0.07 0.00 0.01 0.00 0.00 42.46 41.51 1nj1 s ILE 356 CO 0.02 0.30 0.05 -0.83 0.00 0.00 0.00 174.94 174.48 1nj1 s GLY 357 N 1.52 2.17 0.19 6.18 0.00 -1.26 -0.54 107.32 115.57 1nj1 s GLY 357 Ca -0.00 -2.11 -0.19 0.00 0.00 0.00 0.00 44.72 42.41 1nj1 s GLY 357 CO -0.04 -1.88 1.60 -2.55 0.00 0.00 0.00 173.10 170.23 1nj1 h PRO 358 N 2.04 -0.14 0.00 2.90 0.11 -1.86 -1.31 132.00 133.74 1nj1 h PRO 358 Ca -0.41 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.71 1nj1 h PRO 358 Cb 1.24 0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.39 1nj1 h PRO 358 CO 0.72 -0.09 0.00 0.54 -0.21 0.00 0.00 178.00 178.96 1nj1 n ARG 359 N -5.43 0.00 -0.38 1.05 1.74 -1.26 -1.37 116.66 111.01 1nj1 n ARG 359 Ca 0.04 0.13 0.35 0.00 -0.77 0.00 0.00 57.85 57.60 1nj1 n ARG 359 Cb 0.34 -0.74 0.62 0.00 -1.02 0.00 0.00 32.46 31.66 1nj1 n ARG 359 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 1nj1 n ASP 360 N -0.37 0.29 0.06 0.55 8.00 -1.23 0.55 116.55 124.40 1nj1 n ASP 360 Ca 0.00 1.53 -0.12 0.00 0.71 0.00 0.00 54.79 56.91 1nj1 n ASP 360 Cb 0.00 -0.75 -0.06 0.00 -0.02 0.00 0.00 41.12 40.28 1nj1 n ASP 360 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 1nj1 h LEU 361 N 0.00 -0.14 -1.89 0.64 5.85 -1.05 -1.09 115.31 117.64 1nj1 h LEU 361 Ca 0.85 0.02 0.00 0.00 0.84 0.00 0.00 57.88 59.59 1nj1 h LEU 361 Cb 2.46 0.05 0.00 0.00 0.37 0.00 0.00 40.66 43.54 1nj1 h LEU 361 CO -0.64 -0.08 0.00 -0.62 -0.34 0.00 0.00 178.44 176.76 1nj1 n GLU 362 N -5.16 0.58 0.00 1.25 1.02 0.19 -1.34 120.64 117.18 1nj1 n GLU 362 Ca -0.07 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.07 1nj1 n GLU 362 Cb 0.09 -1.22 0.00 0.00 -0.02 0.00 0.00 31.44 30.29 1nj1 n GLU 362 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 1nj1 n LYS 363 N 0.65 0.00 -2.10 3.49 3.00 -0.51 -5.03 118.16 117.66 1nj1 n LYS 363 Ca 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 58.31 58.27 1nj1 n LYS 363 Cb 0.27 -0.08 -0.00 0.00 0.00 0.00 0.00 35.03 35.23 1nj1 n LYS 363 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1nj1 n GLY 364 N 0.00 0.21 3.18 3.14 0.00 -0.45 -5.02 105.19 106.24 1nj1 n GLY 364 Ca 0.00 -0.70 -0.11 0.00 0.00 0.00 0.00 46.02 45.21 1nj1 n GLY 364 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nj1 s ALA 365 N -2.24 0.97 0.23 4.61 0.00 -0.61 -1.69 121.76 123.04 1nj1 s ALA 365 Ca 0.00 -1.56 -0.06 0.00 0.00 0.00 0.00 51.96 50.35 1nj1 s ALA 365 Cb -0.00 1.10 -0.02 0.00 0.00 0.00 0.00 23.12 24.19 1nj1 s ALA 365 CO 0.00 -0.54 0.31 0.00 0.00 0.00 0.00 175.76 175.54 1nj1 s ALA 366 N -4.10 0.52 -0.21 0.00 0.00 -0.39 -3.62 121.76 113.96 1nj1 s ALA 366 Ca 0.30 -1.32 -0.08 0.00 0.00 0.00 0.00 51.96 50.86 1nj1 s ALA 366 Cb 0.07 1.23 -0.04 0.00 0.00 0.00 0.00 23.12 24.38 1nj1 s ALA 366 CO 0.06 -0.72 0.09 0.08 0.00 0.00 0.00 175.76 175.27 1nj1 s VAL 367 N -4.02 4.89 -0.23 0.00 1.01 -0.72 -1.76 120.40 119.57 1nj1 s VAL 367 Ca 0.31 0.01 -0.03 0.00 0.00 0.00 0.00 61.98 62.26 1nj1 s VAL 367 Cb 0.03 -3.24 -0.00 0.00 0.00 0.00 0.00 36.38 33.17 1nj1 s VAL 367 CO 0.11 0.41 -0.05 -0.63 0.00 0.00 0.00 175.10 174.94 1nj1 s ILE 368 N 0.78 3.27 -0.14 2.22 1.01 -0.63 -0.55 121.20 127.16 1nj1 s ILE 368 Ca 0.05 -0.60 -0.04 0.00 0.00 0.00 0.00 60.65 60.07 1nj1 s ILE 368 Cb -0.13 -2.52 -0.03 0.00 0.01 0.00 0.00 42.46 39.79 1nj1 s ILE 368 CO 0.02 0.38 -0.01 -0.55 0.00 0.00 0.00 174.94 174.78 1nj1 s SER 369 N 1.45 5.08 0.30 3.58 0.15 0.03 -1.20 113.70 123.09 1nj1 s SER 369 Ca 0.05 -0.00 -0.11 0.00 0.70 0.00 0.00 55.95 56.58 1nj1 s SER 369 Cb -0.15 -1.70 -0.08 0.00 -1.71 0.00 0.00 66.02 62.39 1nj1 s SER 369 CO -0.04 0.24 0.66 -0.13 1.20 0.00 0.00 173.24 175.17 1nj1 s ARG 370 N -0.06 3.85 -0.13 5.44 0.52 -0.59 -1.78 118.95 126.20 1nj1 s ARG 370 Ca 0.03 0.43 -0.01 0.00 -0.52 0.00 0.00 55.73 55.66 1nj1 s ARG 370 Cb -0.13 -2.52 -0.24 0.00 0.52 0.00 0.00 34.95 32.58 1nj1 s ARG 370 CO 0.02 0.18 0.32 -2.13 0.02 0.00 0.00 175.30 173.72 1nj1 n ARG 371 N -0.51 0.72 -0.17 3.54 3.00 -0.51 -2.19 116.66 120.54 1nj1 n ARG 371 Ca 0.02 0.24 -0.10 0.00 -0.00 0.00 0.00 57.85 58.00 1nj1 n ARG 371 Cb 0.53 -1.69 0.00 0.00 0.00 0.00 0.00 32.46 31.30 1nj1 n ARG 371 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.63 178.01 1nj1 h ASP 372 N 0.05 0.94 0.00 6.15 2.03 -1.93 -3.38 116.42 120.28 1nj1 h ASP 372 Ca -0.43 -0.35 -0.42 0.00 -0.73 0.00 0.00 57.03 55.11 1nj1 h ASP 372 Cb 2.02 -0.26 -0.07 0.00 -0.83 0.00 0.00 39.33 40.20 1nj1 h ASP 372 CO 0.06 1.07 -2.44 0.41 -1.03 0.00 0.00 179.24 177.31 1nj1 n THR 373 N -4.23 1.43 0.00 1.15 -1.04 -1.26 -5.00 114.28 105.33 1nj1 n THR 373 Ca 0.01 -0.42 0.00 0.00 -2.04 0.00 0.00 64.05 61.59 1nj1 n THR 373 Cb 0.38 -1.69 0.00 0.00 -1.82 0.00 0.00 70.33 67.20 1nj1 n THR 373 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1nj1 n GLY 374 N 1.68 0.55 3.68 3.41 0.00 -0.93 -5.04 105.19 108.54 1nj1 n GLY 374 Ca -0.49 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.11 1nj1 n GLY 374 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1nj1 s GLU 375 N -0.69 4.16 -0.13 1.61 2.02 -1.26 -4.62 118.70 119.80 1nj1 s GLU 375 Ca 0.00 2.46 -0.04 0.00 0.02 0.00 0.00 54.97 57.41 1nj1 s GLU 375 Cb 0.00 -3.75 -0.03 0.00 0.10 0.00 0.00 34.13 30.44 1nj1 s GLU 375 CO 0.00 -0.83 0.02 0.15 0.02 0.00 0.00 175.26 174.63 1nj1 s LYS 376 N 3.20 3.42 0.42 1.61 1.02 -1.26 -1.55 119.74 126.60 1nj1 s LYS 376 Ca 0.79 -0.38 0.03 0.00 0.02 0.00 0.00 55.97 56.43 1nj1 s LYS 376 Cb -0.42 -2.97 -0.03 0.00 -0.52 0.00 0.00 37.83 33.90 1nj1 s LYS 376 CO 0.35 0.51 0.11 0.14 -0.92 0.00 0.00 175.35 175.54 1nj1 s VAL 377 N -0.34 0.72 -0.09 3.17 -7.23 -0.34 -4.95 120.40 111.33 1nj1 s VAL 377 Ca 0.08 -2.00 0.03 0.00 -1.81 0.00 0.00 61.98 58.28 1nj1 s VAL 377 Cb -0.12 -2.36 0.01 0.00 0.56 0.00 0.00 36.38 34.46 1nj1 s VAL 377 CO 0.02 0.00 -0.20 -0.89 -0.31 0.00 0.00 175.10 173.72 1nj1 s THR 378 N -3.17 1.73 0.09 5.32 2.01 -1.26 -1.60 115.64 118.75 1nj1 s THR 378 Ca 0.22 -0.82 0.03 0.00 0.31 0.00 0.00 61.69 61.43 1nj1 s THR 378 Cb 0.03 -1.52 -0.03 0.00 0.01 0.00 0.00 72.50 70.98 1nj1 s THR 378 CO 0.13 0.49 -0.09 0.00 -0.69 0.00 0.00 174.62 174.46 1nj1 s ALA 379 N 0.53 0.97 -0.23 7.40 0.00 -0.72 -4.97 121.76 124.73 1nj1 s ALA 379 Ca -0.16 -1.14 -0.29 0.00 0.00 0.00 0.00 51.96 50.38 1nj1 s ALA 379 Cb -0.17 0.06 0.00 0.00 0.00 0.00 0.00 23.12 23.01 1nj1 s ALA 379 CO 0.06 -0.07 1.17 -0.51 0.00 0.00 0.00 175.76 176.41 1nj1 s ASP 380 N -2.39 6.94 0.25 0.00 1.01 -1.26 -1.26 116.67 119.96 1nj1 s ASP 380 Ca 0.04 1.41 0.12 0.00 0.71 0.00 0.00 52.55 54.83 1nj1 s ASP 380 Cb -0.03 -2.54 0.64 0.00 1.01 0.00 0.00 42.92 42.01 1nj1 s ASP 380 CO -0.01 -0.81 1.27 0.18 0.21 0.00 0.00 175.17 176.01 1nj1 n LEU 381 N 6.74 0.31 -0.11 1.23 4.77 -0.68 -1.79 117.00 127.46 1nj1 n LEU 381 Ca 0.13 0.55 -0.08 0.00 -0.03 0.00 0.00 56.01 56.58 1nj1 n LEU 381 Cb 0.46 -0.53 0.08 0.00 -2.33 0.00 0.00 43.42 41.10 1nj1 n LEU 381 CO 0.56 -0.65 0.74 1.56 -1.33 0.00 0.00 177.39 178.27 1nj1 h GLN 382 N 0.00 0.84 0.00 3.23 4.20 -1.89 -3.30 115.11 118.19 1nj1 h GLN 382 Ca 0.00 -0.32 -0.00 0.00 0.06 0.00 0.00 58.65 58.39 1nj1 h GLN 382 Cb 0.42 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.14 1nj1 h GLN 382 CO 0.00 0.95 -0.22 0.41 -0.67 0.00 0.00 178.83 179.29 1nj1 n GLY 383 N -0.29 3.17 0.52 3.46 0.00 -0.74 -4.85 105.19 106.45 1nj1 n GLY 383 Ca 0.01 -0.71 0.34 0.00 0.00 0.00 0.00 46.02 45.66 1nj1 n GLY 383 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1nj1 h ILE 384 N 2.81 0.39 -0.14 -0.61 2.10 -1.52 -2.02 117.51 118.52 1nj1 h ILE 384 Ca -0.00 -0.02 0.05 0.00 1.08 0.00 0.00 64.86 65.96 1nj1 h ILE 384 Cb 1.17 0.32 -0.06 0.00 -1.09 0.00 0.00 36.82 37.16 1nj1 h ILE 384 CO 0.00 0.01 -0.26 -0.33 -1.08 0.00 0.00 178.15 176.50 1nj1 h GLU 385 N 0.07 -0.30 -0.41 2.19 3.07 -1.89 0.40 114.58 117.71 1nj1 h GLU 385 Ca 0.60 0.02 -0.07 0.00 -0.50 0.00 0.00 59.36 59.41 1nj1 h GLU 385 Cb 2.24 0.07 -0.02 0.00 -0.84 0.00 0.00 28.75 30.20 1nj1 h GLU 385 CO -0.07 -0.20 -0.03 0.93 -1.40 0.00 0.00 179.01 178.24 1nj1 h GLU 386 N -0.32 0.67 -0.44 2.33 4.39 -1.78 -1.57 114.58 117.86 1nj1 h GLU 386 Ca 0.10 -0.17 0.02 0.00 0.34 0.00 0.00 59.36 59.65 1nj1 h GLU 386 Cb 0.47 -0.08 -0.03 0.00 -0.10 0.00 0.00 28.75 29.01 1nj1 h GLU 386 CO -0.32 0.71 0.25 1.15 -1.16 0.00 0.00 179.01 179.63 1nj1 h THR 387 N 0.63 1.03 -0.28 1.13 2.02 -1.29 -1.15 112.91 115.00 1nj1 h THR 387 Ca 0.12 -0.17 -0.03 0.00 0.77 0.00 0.00 66.41 67.10 1nj1 h THR 387 Cb 0.43 0.48 -0.01 0.00 -1.74 0.00 0.00 68.15 67.31 1nj1 h THR 387 CO 0.02 0.09 0.05 -0.07 0.37 0.00 0.00 175.52 175.98 1nj1 h LEU 388 N 0.51 0.45 -0.52 2.58 3.38 -0.57 -1.54 115.31 119.61 1nj1 h LEU 388 Ca 0.18 -0.26 0.05 0.00 0.09 0.00 0.00 57.88 57.93 1nj1 h LEU 388 Cb 0.03 -0.12 -0.05 0.00 0.09 0.00 0.00 40.66 40.61 1nj1 h LEU 388 CO -0.09 0.60 0.26 0.03 0.09 0.00 0.00 178.44 179.32 1nj1 h ARG 389 N 0.29 0.49 -0.40 1.13 3.08 -1.00 -0.65 114.38 117.31 1nj1 h ARG 389 Ca 0.09 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.09 1nj1 h ARG 389 Cb 0.34 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.26 1nj1 h ARG 389 CO 0.01 0.32 0.20 0.93 -1.07 0.00 0.00 179.97 180.36 1nj1 h GLU 390 N 0.50 0.58 -0.92 0.04 4.39 -1.10 -1.99 114.58 116.07 1nj1 h GLU 390 Ca 0.23 -0.08 0.05 0.00 0.34 0.00 0.00 59.36 59.90 1nj1 h GLU 390 Cb 0.14 -0.11 -0.06 0.00 -0.10 0.00 0.00 28.75 28.62 1nj1 h GLU 390 CO -0.16 0.50 0.59 -0.07 -1.16 0.00 0.00 179.01 178.71 1nj1 h LEU 391 N 0.51 0.96 -0.41 1.33 3.38 -0.74 -0.89 115.31 119.45 1nj1 h LEU 391 Ca 0.14 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.10 1nj1 h LEU 391 Cb 0.11 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 1nj1 h LEU 391 CO -0.02 0.63 0.19 0.24 0.09 0.00 0.00 178.44 179.58 1nj1 h MET 392 N 1.10 0.59 -0.78 1.13 2.86 -0.74 0.85 114.93 119.95 1nj1 h MET 392 Ca 0.39 -0.09 0.02 0.00 -2.06 0.00 0.00 59.70 57.96 1nj1 h MET 392 Cb 0.10 -0.11 -0.04 0.00 0.06 0.00 0.00 31.60 31.61 1nj1 h MET 392 CO -0.15 0.52 0.50 0.87 1.06 0.00 0.00 176.91 179.71 1nj1 h LYS 393 N 0.52 0.97 -0.02 1.72 1.57 -0.78 -2.67 116.57 117.88 1nj1 h LYS 393 Ca 0.14 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 58.86 1nj1 h LYS 393 Cb 0.12 -0.22 -0.00 0.00 0.08 0.00 0.00 32.23 32.21 1nj1 h LYS 393 CO -0.02 0.64 0.01 0.22 -0.57 0.00 0.00 179.45 179.74 1nj1 h ASP 394 N 1.00 0.02 -0.84 0.86 1.82 -0.62 -2.65 116.42 116.00 1nj1 h ASP 394 Ca 0.30 -0.08 0.12 0.00 -0.39 0.00 0.00 57.03 56.98 1nj1 h ASP 394 Cb -0.04 -0.01 -0.08 0.00 0.68 0.00 0.00 39.33 39.88 1nj1 h ASP 394 CO -0.09 0.10 0.46 0.40 -1.61 0.00 0.00 179.24 178.49 1nj1 h ILE 395 N -0.06 0.82 0.11 2.25 2.04 -0.55 0.01 117.51 122.13 1nj1 h ILE 395 Ca 0.01 -0.24 -0.01 0.00 1.00 0.00 0.00 64.86 65.62 1nj1 h ILE 395 Cb 0.08 0.05 0.00 0.00 -0.74 0.00 0.00 36.82 36.21 1nj1 h ILE 395 CO -0.00 0.13 -0.05 0.25 0.00 0.00 0.00 178.15 178.48 1nj1 h LEU 396 N 0.71 -0.13 -0.70 1.44 5.85 -1.36 -0.09 115.31 121.03 1nj1 h LEU 396 Ca 0.43 -0.21 0.10 0.00 0.84 0.00 0.00 57.88 59.05 1nj1 h LEU 396 Cb 0.51 0.03 -0.08 0.00 0.37 0.00 0.00 40.66 41.50 1nj1 h LEU 396 CO -0.31 0.14 0.33 -0.33 -0.34 0.00 0.00 178.44 177.93 1nj1 h GLU 397 N -0.39 0.53 0.51 1.25 5.08 -1.09 0.64 114.58 121.10 1nj1 h GLU 397 Ca -0.02 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.29 1nj1 h GLU 397 Cb 0.32 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.46 1nj1 h GLU 397 CO 0.03 0.35 -0.24 -0.97 -1.00 0.00 0.00 179.01 177.17 1nj1 h ASN 398 N 0.54 -0.58 -0.90 1.42 -0.00 -0.86 0.80 115.58 116.00 1nj1 h ASN 398 Ca 0.36 -0.02 0.08 0.00 -0.00 0.00 0.00 56.30 56.71 1nj1 h ASN 398 Cb 0.42 0.15 -0.07 0.00 -0.00 0.00 0.00 38.32 38.82 1nj1 h ASN 398 CO -0.30 -0.34 0.56 -0.07 -0.00 0.00 0.00 177.43 177.27 1nj1 h LEU 399 N -0.77 0.85 -0.34 0.34 3.38 -0.22 0.68 115.31 119.23 1nj1 h LEU 399 Ca -0.07 0.03 -0.07 0.00 0.09 0.00 0.00 57.88 57.86 1nj1 h LEU 399 Cb 0.56 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 1nj1 h LEU 399 CO 0.11 0.52 -0.06 -0.09 0.09 0.00 0.00 178.44 179.00 1nj1 h ARG 400 N 0.97 0.65 0.73 1.13 2.43 0.38 -1.72 114.38 118.95 1nj1 h ARG 400 Ca 0.41 -0.24 -0.04 0.00 -0.81 0.00 0.00 59.98 59.31 1nj1 h ARG 400 Cb 0.27 -0.04 0.01 0.00 -0.42 0.00 0.00 29.97 29.78 1nj1 h ARG 400 CO -0.21 0.81 -0.36 1.15 -1.51 0.00 0.00 179.97 179.85 1nj1 h THR 401 N 0.44 0.00 -0.75 0.20 2.02 -0.13 -0.71 112.91 113.98 1nj1 h THR 401 Ca 0.09 0.00 0.14 0.00 0.77 0.00 0.00 66.41 67.41 1nj1 h THR 401 Cb 0.56 0.00 -0.14 0.00 -1.74 0.00 0.00 68.15 66.83 1nj1 h THR 401 CO 0.03 0.00 -0.28 0.03 0.37 0.00 0.00 175.52 175.67 1nj1 h ARG 402 N -0.99 -0.06 -0.58 6.66 2.47 -0.95 0.16 114.38 121.09 1nj1 h ARG 402 Ca -0.10 0.00 0.11 0.00 -1.26 0.00 0.00 59.98 58.73 1nj1 h ARG 402 Cb 0.76 0.01 -0.09 0.00 -1.65 0.00 0.00 29.97 29.01 1nj1 h ARG 402 CO 0.16 -0.04 0.08 0.00 0.56 0.00 0.00 179.97 180.73 1nj1 h ALA 403 N 1.44 0.64 -0.63 0.04 0.00 -1.11 0.08 119.26 119.72 1nj1 h ALA 403 Ca 0.32 0.14 -0.08 0.00 0.00 0.00 0.00 54.91 55.29 1nj1 h ALA 403 Cb 0.57 0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 1nj1 h ALA 403 CO -0.79 -0.34 0.07 -1.49 0.00 0.00 0.00 179.25 176.70 1nj1 h TRP 404 N 0.21 1.15 0.47 0.00 4.06 0.82 -2.14 115.95 120.51 1nj1 h TRP 404 Ca 0.30 -0.17 -0.02 0.00 2.06 0.00 0.00 58.89 61.05 1nj1 h TRP 404 Cb 0.45 -0.31 0.00 0.00 -1.00 0.00 0.00 29.16 28.31 1nj1 h TRP 404 CO -0.28 0.98 -0.23 0.93 -3.56 0.00 0.00 178.44 176.29 1nj1 h GLU 405 N 0.98 -0.61 -0.91 0.49 5.08 -0.23 -0.84 114.58 118.54 1nj1 h GLU 405 Ca 0.19 0.04 0.20 0.00 -1.00 0.00 0.00 59.36 58.79 1nj1 h GLU 405 Cb 0.48 0.14 -0.07 0.00 0.50 0.00 0.00 28.75 29.80 1nj1 h GLU 405 CO 0.02 -0.40 0.60 0.00 -1.00 0.00 0.00 179.01 178.22 1nj1 h ARG 406 N -0.64 0.43 0.01 2.33 3.08 -0.91 -0.78 114.38 117.90 1nj1 h ARG 406 Ca -0.06 -0.03 -0.03 0.00 0.07 0.00 0.00 59.98 59.93 1nj1 h ARG 406 Cb 0.49 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.45 1nj1 h ARG 406 CO 0.11 0.29 -0.12 1.98 -1.07 0.00 0.00 179.97 181.15 1nj1 h MET 407 N 0.45 0.06 -0.61 0.04 4.05 -0.93 -3.31 114.93 114.69 1nj1 h MET 407 Ca 0.48 -0.08 0.02 0.00 -0.28 0.00 0.00 59.70 59.84 1nj1 h MET 407 Cb 1.13 0.03 -0.03 0.00 -0.80 0.00 0.00 31.60 31.93 1nj1 h MET 407 CO -0.19 0.95 0.40 0.93 0.23 0.00 0.00 176.91 179.23 1nj1 h GLU 408 N -0.79 0.73 0.00 0.39 5.08 -0.77 0.13 114.58 119.35 1nj1 h GLU 408 Ca -0.02 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 1nj1 h GLU 408 Cb 1.00 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 30.09 1nj1 h GLU 408 CO 0.02 0.48 0.00 -1.13 -1.00 0.00 0.00 179.01 177.39 1nj1 n SER 409 N -4.46 0.00 -0.35 1.42 3.41 -0.34 -1.71 113.62 111.60 1nj1 n SER 409 Ca 0.07 -0.18 0.03 0.00 -0.26 0.00 0.00 58.87 58.53 1nj1 n SER 409 Cb 0.10 -0.12 0.07 0.00 -0.26 0.00 0.00 64.21 64.00 1nj1 n SER 409 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1nj1 n GLU 410 N -1.12 1.80 -3.54 4.33 -0.58 0.45 -4.89 120.64 117.09 1nj1 n GLU 410 Ca 0.08 -1.49 -0.42 0.00 -0.42 0.00 0.00 57.16 54.92 1nj1 n GLU 410 Cb 0.07 -1.15 -0.10 0.00 -0.57 0.00 0.00 31.44 29.68 1nj1 n GLU 410 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 1nj1 s ILE 411 N -0.84 4.80 -0.02 -3.67 1.01 -0.70 -0.59 121.20 121.20 1nj1 s ILE 411 Ca 0.12 -0.87 0.06 0.00 0.00 0.00 0.00 60.65 59.96 1nj1 s ILE 411 Cb 0.07 -3.72 -0.02 0.00 0.01 0.00 0.00 42.46 38.80 1nj1 s ILE 411 CO 0.09 -0.31 -0.20 -0.13 0.00 0.00 0.00 174.94 174.39 1nj1 s ARG 412 N 1.59 2.26 0.47 2.79 0.52 -0.06 -4.90 118.95 121.62 1nj1 s ARG 412 Ca 0.03 -0.84 -0.18 0.00 -0.52 0.00 0.00 55.73 54.22 1nj1 s ARG 412 Cb -0.20 -2.20 -0.09 0.00 0.52 0.00 0.00 34.95 32.98 1nj1 s ARG 412 CO 0.07 0.58 0.95 -1.21 0.02 0.00 0.00 175.30 175.72 1nj1 s GLU 413 N -0.79 4.05 -0.07 3.54 2.02 -1.26 -0.00 118.70 126.18 1nj1 s GLU 413 Ca 0.11 0.98 -0.04 0.00 0.02 0.00 0.00 54.97 56.04 1nj1 s GLU 413 Cb -0.10 -2.18 0.03 0.00 0.10 0.00 0.00 34.13 31.98 1nj1 s GLU 413 CO 0.01 -0.14 0.17 0.00 0.02 0.00 0.00 175.26 175.31 1nj1 s ALA 414 N -2.41 -0.36 -0.12 5.21 0.00 -0.57 -4.85 121.76 118.65 1nj1 s ALA 414 Ca 0.59 0.66 0.16 0.00 0.00 0.00 0.00 51.96 53.38 1nj1 s ALA 414 Cb -0.10 -0.43 -0.23 0.00 0.00 0.00 0.00 23.12 22.37 1nj1 s ALA 414 CO 0.24 -0.14 0.16 0.39 0.00 0.00 0.00 175.76 176.40 1nj1 n GLU 415 N 3.83 1.08 -4.68 0.00 1.02 -1.26 -4.58 120.64 116.05 1nj1 n GLU 415 Ca -0.22 -0.05 -0.33 0.00 -0.02 0.00 0.00 57.16 56.54 1nj1 n GLU 415 Cb 0.54 -1.42 -0.12 0.00 -0.02 0.00 0.00 31.44 30.42 1nj1 n GLU 415 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1nj1 s THR 416 N -2.65 3.44 0.49 2.62 2.01 -1.26 -4.68 115.64 115.61 1nj1 s THR 416 Ca -0.08 -0.65 0.30 0.00 0.31 0.00 0.00 61.69 61.57 1nj1 s THR 416 Cb 0.07 -2.41 0.33 0.00 0.01 0.00 0.00 72.50 70.50 1nj1 s THR 416 CO 0.70 0.54 2.16 0.25 -0.69 0.00 0.00 174.62 177.58 1nj1 h LEU 417 N 5.10 0.00 0.09 4.42 5.85 -1.93 -1.06 115.31 127.77 1nj1 h LEU 417 Ca -0.48 0.00 -0.27 0.00 0.84 0.00 0.00 57.88 57.97 1nj1 h LEU 417 Cb 1.16 0.00 0.01 0.00 0.37 0.00 0.00 40.66 42.20 1nj1 h LEU 417 CO 0.52 0.06 -1.21 -0.33 -0.34 0.00 0.00 178.44 177.14 1nj1 h GLU 418 N 0.00 0.29 -0.12 1.25 5.08 -1.94 -3.08 114.58 116.07 1nj1 h GLU 418 Ca -0.00 -0.47 -0.07 0.00 -1.00 0.00 0.00 59.36 57.82 1nj1 h GLU 418 Cb 0.20 0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.60 1nj1 h GLU 418 CO 0.01 1.21 -0.22 1.49 -1.00 0.00 0.00 179.01 180.49 1nj1 h GLU 419 N 0.09 0.20 0.18 2.33 4.81 -1.62 -2.51 114.58 118.07 1nj1 h GLU 419 Ca -0.13 -0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 59.03 1nj1 h GLU 419 Cb 1.92 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 31.29 1nj1 h GLU 419 CO 0.20 0.42 -0.09 0.00 -0.73 0.00 0.00 179.01 178.82 1nj1 h ALA 420 N 1.59 -0.24 -0.99 2.92 0.00 -1.35 -1.84 119.26 119.34 1nj1 h ALA 420 Ca 0.03 -0.13 0.12 0.00 0.00 0.00 0.00 54.91 54.93 1nj1 h ALA 420 Cb 0.51 0.09 -0.08 0.00 0.00 0.00 0.00 17.79 18.31 1nj1 h ALA 420 CO 0.03 -0.54 0.63 0.77 0.00 0.00 0.00 179.25 180.14 1nj1 h SER 421 N -0.44 0.91 -0.38 0.00 0.02 -1.41 0.13 113.55 112.38 1nj1 h SER 421 Ca -0.02 0.04 -0.06 0.00 -0.84 0.00 0.00 61.79 60.91 1nj1 h SER 421 Cb 0.34 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.73 1nj1 h SER 421 CO 0.04 0.49 -0.00 -0.09 -1.14 0.00 0.00 176.83 176.13 1nj1 h ARG 422 N 0.98 0.68 -0.10 3.45 2.43 -1.25 -2.38 114.38 118.18 1nj1 h ARG 422 Ca 0.48 -0.22 -0.03 0.00 -0.81 0.00 0.00 59.98 59.41 1nj1 h ARG 422 Cb 0.48 -0.06 -0.00 0.00 -0.42 0.00 0.00 29.97 29.97 1nj1 h ARG 422 CO -0.25 0.78 -0.04 0.82 -1.51 0.00 0.00 179.97 179.77 1nj1 h ILE 423 N 0.50 1.31 0.42 1.20 2.04 -0.47 -1.90 117.51 120.61 1nj1 h ILE 423 Ca 0.11 -1.02 -0.01 0.00 1.00 0.00 0.00 64.86 64.93 1nj1 h ILE 423 Cb 0.47 1.77 -0.01 0.00 -0.74 0.00 0.00 36.82 38.31 1nj1 h ILE 423 CO 0.02 0.29 -0.38 0.58 0.00 0.00 0.00 178.15 178.66 1nj1 h VAL 424 N -0.13 0.00 -0.47 1.67 2.07 -1.04 0.45 116.25 118.80 1nj1 h VAL 424 Ca 0.02 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.67 1nj1 h VAL 424 Cb 0.47 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.22 1nj1 h VAL 424 CO 0.01 0.00 0.34 0.44 0.02 0.00 0.00 177.57 178.38 1nj1 h ASP 425 N -0.79 0.05 0.02 0.57 3.32 -1.51 0.37 116.42 118.45 1nj1 h ASP 425 Ca -0.05 0.00 -0.34 0.00 0.02 0.00 0.00 57.03 56.66 1nj1 h ASP 425 Cb 0.68 -0.01 -0.05 0.00 0.22 0.00 0.00 39.33 40.17 1nj1 h ASP 425 CO -0.03 0.03 -1.88 -0.62 -1.72 0.00 0.00 179.24 175.03 1nj1 n GLU 426 N -4.41 0.61 0.00 3.56 1.02 -0.71 -4.68 120.64 116.01 1nj1 n GLU 426 Ca 0.08 0.40 0.06 0.00 -0.02 0.00 0.00 57.16 57.68 1nj1 n GLU 426 Cb 0.51 -1.64 -0.03 0.00 -0.02 0.00 0.00 31.44 30.26 1nj1 n GLU 426 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1nj1 n LYS 427 N -4.15 2.42 0.00 3.49 5.02 0.16 -5.08 118.16 120.02 1nj1 n LYS 427 Ca -0.41 -0.42 0.00 0.00 -2.02 0.00 0.00 58.31 55.47 1nj1 n LYS 427 Cb 0.82 -1.11 0.00 0.00 -0.02 0.00 0.00 35.03 34.72 1nj1 n LYS 427 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1nj1 n ARG 428 N -0.62 0.00 0.00 1.97 1.74 0.13 -4.96 116.66 114.93 1nj1 n ARG 428 Ca 0.04 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.12 1nj1 n ARG 428 Cb 0.23 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.67 1nj1 n ARG 428 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1nj1 n GLY 429 N 0.00 -1.15 3.91 -0.13 0.00 -1.00 -4.51 105.19 102.31 1nj1 n GLY 429 Ca 0.00 -1.19 -0.33 0.00 0.00 0.00 0.00 46.02 44.50 1nj1 n GLY 429 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1nj1 s ILE 430 N 0.00 5.41 -0.17 -0.61 -1.09 0.25 -4.54 121.20 120.44 1nj1 s ILE 430 Ca 0.00 -0.18 0.01 0.00 -2.23 0.00 0.00 60.65 58.24 1nj1 s ILE 430 Cb 0.00 -3.56 0.02 0.00 -1.58 0.00 0.00 42.46 37.34 1nj1 s ILE 430 CO 0.00 0.28 -0.17 -0.63 -1.23 0.00 0.00 174.94 173.19 1nj1 s ILE 431 N -1.37 1.89 0.24 2.92 1.01 -0.50 -0.88 121.20 124.51 1nj1 s ILE 431 Ca 0.29 -0.88 -0.15 0.00 0.00 0.00 0.00 60.65 59.92 1nj1 s ILE 431 Cb -0.13 -1.75 -0.08 0.00 0.01 0.00 0.00 42.46 40.51 1nj1 s ILE 431 CO 0.21 0.47 0.66 -0.55 0.00 0.00 0.00 174.94 175.73 1nj1 s SER 432 N 1.35 6.82 -0.15 3.58 0.15 0.99 -1.76 113.70 124.68 1nj1 s SER 432 Ca 0.04 1.20 -0.31 0.00 0.70 0.00 0.00 55.95 57.58 1nj1 s SER 432 Cb -0.13 -2.34 0.13 0.00 -1.71 0.00 0.00 66.02 61.97 1nj1 s SER 432 CO -0.12 -0.06 1.10 0.72 1.20 0.00 0.00 173.24 176.08 1nj1 s PHE 433 N -1.74 -0.23 0.10 3.44 -0.12 -0.22 -1.52 117.98 117.69 1nj1 s PHE 433 Ca 0.47 0.26 -0.22 0.00 -0.05 0.00 0.00 56.93 57.39 1nj1 s PHE 433 Cb -0.13 0.50 -0.07 0.00 -0.63 0.00 0.00 43.02 42.69 1nj1 s PHE 433 CO 0.19 -0.30 0.65 -1.64 -0.05 0.00 0.00 175.22 174.07 1nj1 s MET 434 N -2.03 4.35 0.00 1.99 -1.94 -1.26 0.26 119.30 120.66 1nj1 s MET 434 Ca 0.05 0.89 -0.01 0.00 -1.71 0.00 0.00 55.69 54.91 1nj1 s MET 434 Cb -0.01 -3.26 -0.01 0.00 2.01 0.00 0.00 34.83 33.57 1nj1 s MET 434 CO -0.04 0.58 0.02 -0.46 -0.01 0.00 0.00 175.02 175.11 1nj1 s TRP 435 N -1.01 0.09 0.27 -0.03 -0.00 0.14 -1.76 118.94 116.64 1nj1 s TRP 435 Ca 0.32 -0.18 0.22 0.00 -0.00 0.00 0.00 56.10 56.46 1nj1 s TRP 435 Cb -0.21 -0.08 1.00 0.00 -0.00 0.00 0.00 33.47 34.18 1nj1 s TRP 435 CO 0.21 -0.12 1.88 0.00 -0.00 0.00 0.00 176.95 178.93 1nj1 n GLY 437 N -0.20 0.64 3.82 0.00 0.00 -1.26 -4.56 105.19 103.63 1nj1 n GLY 437 Ca -0.01 -0.76 -0.34 0.00 0.00 0.00 0.00 46.02 44.91 1nj1 n GLY 437 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1nj1 s GLU 438 N -2.78 3.23 0.00 1.61 0.41 -1.26 -5.01 118.70 114.89 1nj1 s GLU 438 Ca 0.00 -0.35 0.00 0.00 -0.41 0.00 0.00 54.97 54.21 1nj1 s GLU 438 Cb 0.00 -2.99 0.00 0.00 -1.78 0.00 0.00 34.13 29.36 1nj1 s GLU 438 CO 0.00 0.69 0.97 0.39 -0.49 0.00 0.00 175.26 176.83 1nj1 n GLU 439 N 1.45 0.00 -0.34 1.61 1.02 -1.26 -0.68 120.64 122.44 1nj1 n GLU 439 Ca -0.15 0.77 0.17 0.00 -0.02 0.00 0.00 57.16 57.93 1nj1 n GLU 439 Cb 0.53 -1.47 0.38 0.00 -0.02 0.00 0.00 31.44 30.86 1nj1 n GLU 439 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 1nj1 h GLU 440 N 0.00 0.50 -0.37 3.49 3.07 -1.98 0.33 114.58 119.63 1nj1 h GLU 440 Ca 0.00 -0.03 -0.12 0.00 -0.50 0.00 0.00 59.36 58.71 1nj1 h GLU 440 Cb 0.00 -0.11 -0.01 0.00 -0.84 0.00 0.00 28.75 27.79 1nj1 h GLU 440 CO 0.00 0.33 -0.25 0.00 -1.40 0.00 0.00 179.01 177.69 1nj1 h GLY 442 N 0.62 0.19 0.57 0.00 0.00 0.15 -0.28 103.07 104.31 1nj1 h GLY 442 Ca 0.07 -0.13 0.07 0.00 0.00 0.00 0.00 47.33 47.34 1nj1 h GLY 442 CO 0.07 0.12 0.26 -0.33 0.00 0.00 0.00 176.54 176.66 1nj1 h MET 443 N -0.06 0.47 -0.68 4.80 2.86 -0.45 -0.56 114.93 121.31 1nj1 h MET 443 Ca 0.03 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.65 1nj1 h MET 443 Cb 0.30 -0.11 -0.03 0.00 0.06 0.00 0.00 31.60 31.82 1nj1 h MET 443 CO 0.00 0.31 0.44 0.22 1.06 0.00 0.00 176.91 178.95 1nj1 h ASP 444 N 0.48 0.79 -0.27 1.22 3.58 -1.01 0.27 116.42 121.49 1nj1 h ASP 444 Ca 0.27 -0.03 0.02 0.00 0.42 0.00 0.00 57.03 57.71 1nj1 h ASP 444 Cb 0.25 -0.20 -0.02 0.00 1.72 0.00 0.00 39.33 41.08 1nj1 h ASP 444 CO -0.23 0.58 0.12 0.58 -2.88 0.00 0.00 179.24 177.42 1nj1 h VAL 445 N 0.92 0.97 -0.02 2.25 2.07 0.08 0.15 116.25 122.67 1nj1 h VAL 445 Ca 0.25 -0.09 0.00 0.00 0.82 0.00 0.00 66.70 67.68 1nj1 h VAL 445 Cb -0.09 0.69 -0.00 0.00 -1.52 0.00 0.00 31.29 30.37 1nj1 h VAL 445 CO -0.05 0.05 0.01 -0.33 0.02 0.00 0.00 177.57 177.27 1nj1 h GLU 446 N 0.26 0.02 -0.26 1.57 5.08 -0.57 -0.52 114.58 120.16 1nj1 h GLU 446 Ca 0.11 -0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.49 1nj1 h GLU 446 Cb 0.06 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.28 1nj1 h GLU 446 CO -0.10 0.02 0.13 1.49 -1.00 0.00 0.00 179.01 179.56 1nj1 h GLU 447 N 0.02 0.27 -0.46 2.33 4.81 -0.73 0.88 114.58 121.71 1nj1 h GLU 447 Ca 0.01 -0.02 -0.10 0.00 -0.13 0.00 0.00 59.36 59.12 1nj1 h GLU 447 Cb -0.00 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.30 1nj1 h GLU 447 CO -0.00 0.18 -0.13 0.87 -0.73 0.00 0.00 179.01 179.20 1nj1 h LYS 448 N 0.28 0.85 -0.01 1.92 1.57 -0.83 -3.05 116.57 117.30 1nj1 h LYS 448 Ca 0.10 -0.30 0.00 0.00 -1.87 0.00 0.00 60.65 58.58 1nj1 h LYS 448 Cb 0.02 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.27 1nj1 h LYS 448 CO -0.07 0.93 -0.47 0.28 -0.57 0.00 0.00 179.45 179.55 1nj1 n VAL 449 N -4.15 0.00 -3.56 0.50 0.31 -0.21 -4.97 118.33 106.25 1nj1 n VAL 449 Ca 0.01 -0.16 -0.24 0.00 -0.01 0.00 0.00 64.34 63.94 1nj1 n VAL 449 Cb 0.39 0.86 0.04 0.00 -0.91 0.00 0.00 33.84 34.21 1nj1 n VAL 449 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 1nj1 n ARG 450 N -0.54 -1.37 -4.01 5.55 0.00 0.30 -4.96 116.66 111.63 1nj1 n ARG 450 Ca 0.09 0.69 -0.12 0.00 -0.00 0.00 0.00 57.85 58.51 1nj1 n ARG 450 Cb 0.40 -4.33 -0.03 0.00 0.00 0.00 0.00 32.46 28.50 1nj1 n ARG 450 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 1nj1 s VAL 451 N -3.33 0.00 -0.04 5.15 0.11 -0.83 -4.91 120.40 116.55 1nj1 s VAL 451 Ca 0.35 -1.44 0.05 0.00 -2.93 0.00 0.00 61.98 58.01 1nj1 s VAL 451 Cb -0.11 -2.57 -0.01 0.00 -1.53 0.00 0.00 36.38 32.16 1nj1 s VAL 451 CO 0.84 0.00 -0.20 -0.62 -3.33 0.00 0.00 175.10 171.79 1nj1 s ASP 452 N -3.15 2.46 -0.51 3.54 -1.08 -0.35 -4.50 116.67 113.07 1nj1 s ASP 452 Ca 0.26 -0.40 -0.28 0.00 -0.52 0.00 0.00 52.55 51.61 1nj1 s ASP 452 Cb -0.01 -0.60 0.03 0.00 -1.46 0.00 0.00 42.92 40.88 1nj1 s ASP 452 CO 0.16 0.20 1.12 -0.63 0.52 0.00 0.00 175.17 176.53 1nj1 s ILE 453 N -0.12 4.19 0.09 4.11 1.01 -1.26 -1.32 121.20 127.89 1nj1 s ILE 453 Ca -0.01 1.00 -0.24 0.00 0.00 0.00 0.00 60.65 61.39 1nj1 s ILE 453 Cb -0.11 -4.62 -0.16 0.00 0.01 0.00 0.00 42.46 37.58 1nj1 s ILE 453 CO 0.02 -1.10 1.72 -0.07 0.00 0.00 0.00 174.94 175.51 1nj1 h LEU 454 N 11.35 -0.11 0.00 2.97 3.38 -1.44 -3.44 115.31 128.03 1nj1 h LEU 454 Ca -0.24 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.73 1nj1 h LEU 454 Cb 1.06 0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.84 1nj1 h LEU 454 CO 1.13 -0.07 0.00 0.61 0.09 0.00 0.00 178.44 180.20 1nj1 n GLY 455 N -1.14 -1.47 3.65 0.83 0.00 -1.24 -4.33 105.19 101.49 1nj1 n GLY 455 Ca -0.08 -1.07 -0.28 0.00 0.00 0.00 0.00 46.02 44.59 1nj1 n GLY 455 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1nj1 s ILE 456 N -2.82 1.96 -0.22 -0.61 -5.25 -0.46 -2.37 121.20 111.44 1nj1 s ILE 456 Ca 0.00 -1.95 -0.03 0.00 -0.99 0.00 0.00 60.65 57.68 1nj1 s ILE 456 Cb 0.00 -2.91 0.11 0.00 2.95 0.00 0.00 42.46 42.62 1nj1 s ILE 456 CO 0.00 0.00 0.32 -1.10 -1.79 0.00 0.00 174.94 172.37 1nj1 s GLN 457 N -3.76 0.28 0.33 0.37 -0.21 0.75 -1.55 119.66 115.86 1nj1 s GLN 457 Ca 0.33 0.44 -0.29 0.00 0.02 0.00 0.00 55.36 55.86 1nj1 s GLN 457 Cb 0.08 -0.70 -0.11 0.00 1.00 0.00 0.00 33.01 33.28 1nj1 s GLN 457 CO 0.17 -0.62 1.52 -1.21 -2.12 0.00 0.00 175.29 173.03 1nj1 s GLU 458 N 2.46 4.14 0.00 2.91 2.02 -1.26 -1.56 118.70 127.42 1nj1 s GLU 458 Ca 0.10 2.53 0.00 0.00 0.02 0.00 0.00 54.97 57.62 1nj1 s GLU 458 Cb -0.15 -3.01 0.00 0.00 0.10 0.00 0.00 34.13 31.07 1nj1 s GLU 458 CO -0.14 -0.54 0.00 -0.85 0.02 0.00 0.00 175.26 173.75 1nj1 n GLU 459 N 1.39 0.00 -1.23 1.61 0.28 -1.21 -4.89 120.64 116.58 1nj1 n GLU 459 Ca 0.05 0.00 -0.35 0.00 -0.16 0.00 0.00 57.16 56.69 1nj1 n GLU 459 Cb 0.39 0.00 0.09 0.00 1.43 0.00 0.00 31.44 33.35 1nj1 n GLU 459 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1nj1 n GLY 460 N 0.00 -0.88 1.05 -1.84 0.00 -1.26 -4.74 105.19 97.52 1nj1 n GLY 460 Ca 0.00 -0.41 -0.09 0.00 0.00 0.00 0.00 46.02 45.52 1nj1 n GLY 460 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1nj1 n SER 461 N -1.43 -1.17 0.00 1.61 7.64 -1.26 -4.75 113.62 114.26 1nj1 n SER 461 Ca 0.12 -0.74 0.00 0.00 1.01 0.00 0.00 58.87 59.25 1nj1 n SER 461 Cb 0.50 -0.30 0.00 0.00 -1.01 0.00 0.00 64.21 63.40 1nj1 n SER 461 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1nj1 n GLY 462 N 0.57 -0.59 3.17 0.23 0.00 -0.75 -4.93 105.19 102.89 1nj1 n GLY 462 Ca 0.05 -0.69 -0.27 0.00 0.00 0.00 0.00 46.02 45.11 1nj1 n GLY 462 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1nj1 s THR 463 N -3.51 1.57 0.02 2.61 -4.23 -1.26 0.76 115.64 111.59 1nj1 s THR 463 Ca 0.00 -0.80 -0.32 0.00 -1.18 0.00 0.00 61.69 59.39 1nj1 s THR 463 Cb 0.00 -1.33 -0.11 0.00 1.34 0.00 0.00 72.50 72.40 1nj1 s THR 463 CO 0.00 0.45 1.88 0.00 -0.54 0.00 0.00 174.62 176.41 1nj1 h ILE 465 N 5.19 0.16 0.00 0.00 2.10 -1.62 0.32 117.51 123.66 1nj1 h ILE 465 Ca -0.48 0.00 -0.04 0.00 1.08 0.00 0.00 64.86 65.42 1nj1 h ILE 465 Cb 1.25 0.37 -0.01 0.00 -1.09 0.00 0.00 36.82 37.35 1nj1 h ILE 465 CO 0.94 0.00 -1.10 -3.20 -1.08 0.00 0.00 178.15 173.71 1nj1 n ASN 466 N -3.33 1.92 -0.92 2.19 4.05 -1.26 -3.86 115.26 114.05 1nj1 n ASN 466 Ca 0.11 0.33 0.12 0.00 0.45 0.00 0.00 54.58 55.59 1nj1 n ASN 466 Cb 0.94 -0.74 0.23 0.00 1.23 0.00 0.00 39.78 41.44 1nj1 n ASN 466 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1nj1 n GLY 468 N 1.36 0.74 3.43 0.00 0.00 0.11 -4.90 105.19 105.94 1nj1 n GLY 468 Ca 0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.89 1nj1 n GLY 468 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1nj1 s ARG 469 N -0.08 -2.23 0.09 1.61 0.52 -1.26 -4.16 118.95 113.44 1nj1 s ARG 469 Ca 0.00 0.03 -0.31 0.00 -0.52 0.00 0.00 55.73 54.93 1nj1 s ARG 469 Cb 0.00 -1.47 -0.09 0.00 0.52 0.00 0.00 34.95 33.91 1nj1 s ARG 469 CO 0.00 -4.40 1.71 -2.00 0.02 0.00 0.00 175.30 170.64 1nj1 s GLU 470 N -5.23 4.18 -0.47 3.54 2.12 -1.26 -0.22 118.70 121.35 1nj1 s GLU 470 Ca 0.70 2.42 -0.11 0.00 0.36 0.00 0.00 54.97 58.34 1nj1 s GLU 470 Cb -0.11 -3.60 0.11 0.00 0.26 0.00 0.00 34.13 30.79 1nj1 s GLU 470 CO 0.57 -0.77 0.36 0.00 -0.54 0.00 0.00 175.26 174.88 1nj1 s ALA 471 N 2.68 3.44 -0.17 6.30 0.00 0.23 -4.43 121.76 129.81 1nj1 s ALA 471 Ca 0.76 -2.42 0.21 0.00 0.00 0.00 0.00 51.96 50.50 1nj1 s ALA 471 Cb -0.42 -2.90 0.41 0.00 0.00 0.00 0.00 23.12 20.21 1nj1 s ALA 471 CO 0.34 -1.86 1.61 -1.35 0.00 0.00 0.00 175.76 174.49 1nj1 h PRO 472 N 8.56 0.00 -6.56 0.00 0.11 -1.80 -1.99 132.00 130.32 1nj1 h PRO 472 Ca -0.24 0.00 -0.68 0.00 0.11 0.00 0.00 66.00 65.20 1nj1 h PRO 472 Cb 1.08 0.00 -0.19 0.00 0.11 0.00 0.00 31.00 32.01 1nj1 h PRO 472 CO 0.88 0.26 -0.77 0.71 -0.21 0.00 0.00 178.00 178.87 1nj1 s TYR 473 N -3.23 2.66 -0.28 0.65 1.51 -1.13 -3.36 117.35 114.17 1nj1 s TYR 473 Ca 0.04 -0.20 -0.15 0.00 -1.01 0.00 0.00 57.07 55.75 1nj1 s TYR 473 Cb 0.07 -1.45 -0.03 0.00 -0.11 0.00 0.00 41.96 40.44 1nj1 s TYR 473 CO 0.69 0.35 0.38 0.50 -1.11 0.00 0.00 175.55 176.36 1nj1 s ARG 474 N -1.83 3.96 0.31 -0.62 6.06 -0.60 -0.68 118.95 125.55 1nj1 s ARG 474 Ca 0.18 -0.01 0.11 0.00 -2.50 0.00 0.00 55.73 53.51 1nj1 s ARG 474 Cb -0.11 -3.68 -0.06 0.00 0.06 0.00 0.00 34.95 31.17 1nj1 s ARG 474 CO 0.09 -0.31 -0.15 0.00 -2.50 0.00 0.00 175.30 172.42 1nj1 s ALA 475 N 2.08 2.84 0.10 6.12 0.00 0.14 -0.18 121.76 132.86 1nj1 s ALA 475 Ca 0.15 -1.97 0.05 0.00 0.00 0.00 0.00 51.96 50.18 1nj1 s ALA 475 Cb -0.16 -0.17 -0.03 0.00 0.00 0.00 0.00 23.12 22.76 1nj1 s ALA 475 CO 0.10 0.19 -0.13 0.71 0.00 0.00 0.00 175.76 176.64 1nj1 s TYR 476 N -2.55 1.24 0.14 0.00 1.51 -1.00 -1.06 117.35 115.63 1nj1 s TYR 476 Ca 0.31 -0.56 -0.08 0.00 -1.01 0.00 0.00 57.07 55.73 1nj1 s TYR 476 Cb -0.02 -0.67 -0.01 0.00 -0.11 0.00 0.00 41.96 41.16 1nj1 s TYR 476 CO 0.16 0.07 0.24 -0.48 -1.11 0.00 0.00 175.55 174.43 1nj1 s LEU 477 N -2.25 1.15 -0.09 -1.29 0.05 -0.73 -1.05 118.68 114.47 1nj1 s LEU 477 Ca 0.05 -0.82 -0.32 0.00 0.05 0.00 0.00 54.13 53.09 1nj1 s LEU 477 Cb -0.06 1.09 0.13 0.00 -2.05 0.00 0.00 46.19 45.30 1nj1 s LEU 477 CO 0.02 -0.83 1.40 0.00 -0.55 0.00 0.00 176.35 176.39 1nj1 s ALA 478 N -3.94 -2.62 -0.12 1.48 0.00 -0.44 -1.41 121.76 114.71 1nj1 s ALA 478 Ca 0.14 0.58 -0.21 0.00 0.00 0.00 0.00 51.96 52.46 1nj1 s ALA 478 Cb 0.04 0.57 -0.03 0.00 0.00 0.00 0.00 23.12 23.69 1nj1 s ALA 478 CO -0.03 -1.12 0.63 1.03 0.00 0.00 0.00 175.76 176.27 1nj1 s ARG 479 N -2.03 4.34 0.39 0.00 1.81 -1.26 -1.21 118.95 120.99 1nj1 s ARG 479 Ca 0.23 0.69 0.08 0.00 -1.72 0.00 0.00 55.73 55.01 1nj1 s ARG 479 Cb 0.04 -3.49 -0.06 0.00 -0.45 0.00 0.00 34.95 30.99 1nj1 s ARG 479 CO -0.05 -0.02 0.07 0.95 -0.68 0.00 0.00 175.30 175.57 1nj1 s THR 480 N 1.15 2.27 -2.57 0.02 -4.23 -1.26 -0.62 115.64 110.39 1nj1 s THR 480 Ca 0.32 -1.90 0.27 0.00 -1.18 0.00 0.00 61.69 59.21 1nj1 s THR 480 Cb -0.16 -2.93 0.50 0.00 1.34 0.00 0.00 72.50 71.24 1nj1 s THR 480 CO 0.13 -0.06 1.68 -1.22 -0.54 0.00 0.00 174.62 174.62