#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rj9 h LEU 28 N 0.00 0.55 -1.37 1.20 6.46 -1.99 -2.42 115.31 117.74 1rj9 h LEU 28 Ca 0.00 -0.18 -0.07 0.00 -0.12 0.00 0.00 57.88 57.52 1rj9 h LEU 28 Cb 0.00 -0.15 -0.01 0.00 -0.73 0.00 0.00 40.66 39.77 1rj9 h LEU 28 CO 0.00 0.76 -0.31 -0.33 -0.62 0.00 0.00 178.44 177.94 1rj9 h GLU 29 N 0.49 0.00 0.05 1.25 4.39 -2.03 0.81 114.58 119.55 1rj9 h GLU 29 Ca 0.08 0.00 -0.24 0.00 0.34 0.00 0.00 59.36 59.54 1rj9 h GLU 29 Cb 0.63 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.28 1rj9 h GLU 29 CO 0.04 0.31 -1.05 1.49 -1.16 0.00 0.00 179.01 178.65 1rj9 h GLU 30 N 0.00 0.31 -0.42 2.33 4.81 -1.93 -2.13 114.58 117.54 1rj9 h GLU 30 Ca -0.00 -0.40 -0.15 0.00 -0.13 0.00 0.00 59.36 58.67 1rj9 h GLU 30 Cb 0.60 0.13 -0.01 0.00 0.63 0.00 0.00 28.75 30.10 1rj9 h GLU 30 CO 0.04 1.12 -0.32 0.28 -0.73 0.00 0.00 179.01 179.40 1rj9 h VAL 31 N 0.14 1.27 -0.23 0.32 2.07 -0.92 0.30 116.25 119.20 1rj9 h VAL 31 Ca -0.09 -1.49 -0.12 0.00 0.82 0.00 0.00 66.70 65.81 1rj9 h VAL 31 Cb 1.72 1.28 -0.01 0.00 -1.52 0.00 0.00 31.29 32.76 1rj9 h VAL 31 CO 0.17 0.51 -0.35 -0.07 0.02 0.00 0.00 177.57 177.85 1rj9 h LEU 32 N 0.80 0.52 -0.48 2.57 3.38 -0.87 0.11 115.31 121.34 1rj9 h LEU 32 Ca 0.08 -0.21 -0.14 0.00 0.09 0.00 0.00 57.88 57.70 1rj9 h LEU 32 Cb 0.91 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.51 1rj9 h LEU 32 CO 0.09 0.84 -0.28 -0.08 0.09 0.00 0.00 178.44 179.09 1rj9 h GLU 33 N 0.43 0.96 -0.28 1.13 4.81 -1.18 -0.45 114.58 120.00 1rj9 h GLU 33 Ca 0.05 -0.44 -0.03 0.00 -0.13 0.00 0.00 59.36 58.80 1rj9 h GLU 33 Cb 0.81 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.17 1rj9 h GLU 33 CO 0.07 1.10 0.04 0.93 -0.73 0.00 0.00 179.01 180.42 1rj9 h GLU 34 N 0.81 0.47 -0.65 1.92 5.08 -0.63 -2.82 114.58 118.75 1rj9 h GLU 34 Ca 0.09 -0.13 -0.01 0.00 -1.00 0.00 0.00 59.36 58.31 1rj9 h GLU 34 Cb 0.86 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 30.02 1rj9 h GLU 34 CO 0.08 0.58 0.36 1.25 -1.00 0.00 0.00 179.01 180.28 1rj9 h LEU 35 N 0.28 0.79 -0.44 1.33 6.46 -0.61 -1.44 115.31 121.69 1rj9 h LEU 35 Ca 0.09 -0.06 -0.01 0.00 -0.12 0.00 0.00 57.88 57.78 1rj9 h LEU 35 Cb 0.34 -0.20 -0.02 0.00 -0.73 0.00 0.00 40.66 40.05 1rj9 h LEU 35 CO 0.01 0.64 0.22 -0.08 -0.62 0.00 0.00 178.44 178.60 1rj9 h GLU 36 N 0.90 0.62 -0.54 1.25 4.81 -0.90 -1.07 114.58 119.67 1rj9 h GLU 36 Ca 0.23 -0.08 -0.04 0.00 -0.13 0.00 0.00 59.36 59.34 1rj9 h GLU 36 Cb 0.01 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.25 1rj9 h GLU 36 CO -0.04 0.52 0.18 0.52 -0.73 0.00 0.00 179.01 179.46 1rj9 h MET 37 N 0.57 0.82 -0.86 1.92 2.86 -1.20 -0.88 114.93 118.16 1rj9 h MET 37 Ca 0.15 -0.17 -0.01 0.00 -2.06 0.00 0.00 59.70 57.61 1rj9 h MET 37 Cb 0.09 -0.12 -0.04 0.00 0.06 0.00 0.00 31.60 31.59 1rj9 h MET 37 CO -0.02 0.74 0.50 0.00 1.06 0.00 0.00 176.91 179.19 1rj9 h ALA 38 N 1.04 1.10 -0.26 6.32 0.00 -1.00 0.11 119.26 126.56 1rj9 h ALA 38 Ca 0.17 -0.11 -0.13 0.00 0.00 0.00 0.00 54.91 54.84 1rj9 h ALA 38 Cb 0.25 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 1rj9 h ALA 38 CO -0.01 0.58 -0.35 -0.07 0.00 0.00 0.00 179.25 179.40 1rj9 h LEU 39 N 1.19 0.77 -0.75 0.00 3.38 -0.98 -2.36 115.31 116.55 1rj9 h LEU 39 Ca 0.31 -0.50 -0.07 0.00 0.09 0.00 0.00 57.88 57.70 1rj9 h LEU 39 Cb -0.02 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.49 1rj9 h LEU 39 CO -0.05 1.12 0.15 -0.07 0.09 0.00 0.00 178.44 179.67 1rj9 h LEU 40 N 0.43 1.05 -1.70 1.67 3.38 -0.91 -1.94 115.31 117.29 1rj9 h LEU 40 Ca 0.03 -0.23 -0.03 0.00 0.09 0.00 0.00 57.88 57.74 1rj9 h LEU 40 Cb 0.94 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 41.41 1rj9 h LEU 40 CO 0.08 1.01 -0.14 0.00 0.09 0.00 0.00 178.44 179.48 1rj9 h ALA 41 N 1.11 1.18 -0.09 1.53 0.00 -0.74 -1.71 119.26 120.54 1rj9 h ALA 41 Ca 0.21 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1rj9 h ALA 41 Cb 0.39 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1rj9 h ALA 41 CO 0.01 0.18 0.00 0.00 0.00 0.00 0.00 179.25 179.43 1rj9 n ALA 42 N -2.25 2.56 -1.84 0.00 0.00 -0.84 -4.89 120.51 113.26 1rj9 n ALA 42 Ca -0.01 -0.40 -0.07 0.00 0.00 0.00 0.00 53.44 52.95 1rj9 n ALA 42 Cb 0.29 -1.18 -0.01 0.00 0.00 0.00 0.00 19.45 18.55 1rj9 n ALA 42 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1rj9 n ASP 43 N -0.02 -3.14 0.15 0.00 8.00 -0.64 -0.94 116.55 119.95 1rj9 n ASP 43 Ca 0.17 0.06 0.01 0.00 0.71 0.00 0.00 54.79 55.73 1rj9 n ASP 43 Cb 0.26 -2.08 0.23 0.00 -0.02 0.00 0.00 41.12 39.51 1rj9 n ASP 43 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 1rj9 h VAL 44 N 0.00 1.25 0.00 2.53 2.07 -1.54 -2.40 116.25 118.16 1rj9 h VAL 44 Ca -0.17 -1.91 0.00 0.00 0.82 0.00 0.00 66.70 65.44 1rj9 h VAL 44 Cb 0.92 2.07 0.00 0.00 -1.52 0.00 0.00 31.29 32.76 1rj9 h VAL 44 CO 0.22 0.52 0.00 0.61 0.02 0.00 0.00 177.57 178.94 1rj9 n GLY 45 N 0.24 0.68 0.13 2.17 0.00 -1.26 -4.50 105.19 102.65 1rj9 n GLY 45 Ca -0.01 -1.73 -0.12 0.00 0.00 0.00 0.00 46.02 44.16 1rj9 n GLY 45 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1rj9 h LEU 46 N 0.00 0.34 0.22 0.99 3.38 -1.97 -1.85 115.31 116.42 1rj9 h LEU 46 Ca 0.00 -0.39 0.00 0.00 0.09 0.00 0.00 57.88 57.58 1rj9 h LEU 46 Cb 0.00 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.63 1rj9 h LEU 46 CO 0.00 0.65 -0.42 0.28 0.09 0.00 0.00 178.44 179.04 1rj9 h SER 47 N 0.02 -1.21 -0.59 -0.43 0.02 -2.00 -0.83 113.55 108.52 1rj9 h SER 47 Ca 0.04 0.12 -0.05 0.00 -0.84 0.00 0.00 61.79 61.05 1rj9 h SER 47 Cb 0.51 0.43 -0.03 0.00 0.14 0.00 0.00 62.40 63.45 1rj9 h SER 47 CO 0.02 -0.48 0.17 0.00 -1.14 0.00 0.00 176.83 175.40 1rj9 h ALA 48 N -0.88 1.12 -0.15 3.77 0.00 -1.79 -2.20 119.26 119.13 1rj9 h ALA 48 Ca -0.02 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1rj9 h ALA 48 Cb 0.65 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1rj9 h ALA 48 CO -0.16 0.60 0.10 1.15 0.00 0.00 0.00 179.25 180.93 1rj9 h THR 49 N 0.93 1.05 -0.67 0.00 2.02 -1.16 -0.98 112.91 114.10 1rj9 h THR 49 Ca 0.20 -0.11 -0.06 0.00 0.77 0.00 0.00 66.41 67.22 1rj9 h THR 49 Cb 0.30 0.85 -0.03 0.00 -1.74 0.00 0.00 68.15 67.54 1rj9 h THR 49 CO -0.00 0.05 0.19 -0.33 0.37 0.00 0.00 175.52 175.79 1rj9 h GLU 50 N 0.19 1.03 -0.40 6.66 5.08 -1.02 -1.57 114.58 124.55 1rj9 h GLU 50 Ca 0.05 -0.22 -0.07 0.00 -1.00 0.00 0.00 59.36 58.13 1rj9 h GLU 50 Cb -0.01 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.07 1rj9 h GLU 50 CO -0.01 0.89 -0.04 0.93 -1.00 0.00 0.00 179.01 179.78 1rj9 h GLU 51 N 0.99 0.66 -0.14 2.33 5.08 -1.11 -0.62 114.58 121.78 1rj9 h GLU 51 Ca 0.22 -0.18 -0.06 0.00 -1.00 0.00 0.00 59.36 58.34 1rj9 h GLU 51 Cb 0.31 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.48 1rj9 h GLU 51 CO -0.00 0.71 -0.14 0.82 -1.00 0.00 0.00 179.01 179.40 1rj9 h ILE 52 N 0.62 1.35 -0.32 3.13 2.04 -0.80 -2.66 117.51 120.87 1rj9 h ILE 52 Ca 0.12 -1.29 -0.10 0.00 1.00 0.00 0.00 64.86 64.59 1rj9 h ILE 52 Cb 0.45 1.89 -0.02 0.00 -0.74 0.00 0.00 36.82 38.41 1rj9 h ILE 52 CO 0.02 0.38 -0.20 -0.07 0.00 0.00 0.00 178.15 178.28 1rj9 h LEU 53 N -0.05 0.61 -0.64 1.44 -0.00 -1.18 -1.29 115.31 114.19 1rj9 h LEU 53 Ca 0.02 -0.20 -0.07 0.00 -0.00 0.00 0.00 57.88 57.64 1rj9 h LEU 53 Cb 0.66 -0.16 -0.03 0.00 -0.00 0.00 0.00 40.66 41.13 1rj9 h LEU 53 CO 0.03 0.81 0.14 -0.61 -0.00 0.00 0.00 178.44 178.82 1rj9 h GLN 54 N 0.54 1.03 -0.25 1.13 4.15 -1.12 0.27 115.11 120.86 1rj9 h GLN 54 Ca 0.08 -0.26 -0.11 0.00 0.77 0.00 0.00 58.65 59.13 1rj9 h GLN 54 Cb 0.65 -0.13 -0.00 0.00 0.21 0.00 0.00 27.48 28.20 1rj9 h GLN 54 CO 0.05 0.94 -0.29 1.49 -1.93 0.00 0.00 178.83 179.09 1rj9 h GLU 55 N 0.95 0.64 -0.68 1.69 4.81 -1.26 -2.36 114.58 118.37 1rj9 h GLU 55 Ca 0.20 -0.35 -0.06 0.00 -0.13 0.00 0.00 59.36 59.01 1rj9 h GLU 55 Cb 0.38 0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.75 1rj9 h GLU 55 CO 0.00 0.96 0.17 0.28 -0.73 0.00 0.00 179.01 179.70 1rj9 h VAL 56 N 0.36 1.26 -0.18 0.32 2.07 -1.10 -1.63 116.25 117.34 1rj9 h VAL 56 Ca 0.04 -0.94 -0.05 0.00 0.82 0.00 0.00 66.70 66.57 1rj9 h VAL 56 Cb 0.86 0.55 -0.01 0.00 -1.52 0.00 0.00 31.29 31.16 1rj9 h VAL 56 CO 0.07 0.36 -0.11 -0.09 0.02 0.00 0.00 177.57 177.82 1rj9 h ARG 57 N 1.02 0.28 0.00 1.57 2.43 -0.89 -2.61 114.38 116.19 1rj9 h ARG 57 Ca 0.22 -0.06 -0.04 0.00 -0.81 0.00 0.00 59.98 59.28 1rj9 h ARG 57 Cb 0.35 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.85 1rj9 h ARG 57 CO -0.00 0.40 -0.21 0.00 -1.51 0.00 0.00 179.97 178.65 1rj9 h ALA 58 N 1.62 0.87 0.00 2.80 0.00 -0.85 -3.27 119.26 120.44 1rj9 h ALA 58 Ca 0.06 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1rj9 h ALA 58 Cb 0.36 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1rj9 h ALA 58 CO 0.02 0.23 0.00 0.66 0.00 0.00 0.00 179.25 180.16 1rj9 h SER 59 N 0.00 0.00 0.00 0.00 4.64 -0.91 -3.45 113.55 113.83 1rj9 h SER 59 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1rj9 h SER 59 Cb 1.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.23 1rj9 h SER 59 CO 0.02 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.59 1rj9 n GLY 60 N -0.49 0.77 3.76 -0.77 0.00 -1.23 -4.96 105.19 102.27 1rj9 n GLY 60 Ca -0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 1rj9 n GLY 60 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1rj9 n ARG 61 N -2.00 2.68 -0.05 1.61 5.12 -1.26 -4.93 116.66 117.83 1rj9 n ARG 61 Ca 0.00 0.94 -0.13 0.00 -1.93 0.00 0.00 57.85 56.73 1rj9 n ARG 61 Cb 0.00 -2.69 -0.12 0.00 -1.16 0.00 0.00 32.46 28.49 1rj9 n ARG 61 CO 0.00 0.00 0.00 1.57 -1.93 0.00 0.00 177.63 177.27 1rj9 h LYS 62 N 3.57 -0.01 -5.23 5.56 2.10 -1.96 -3.39 116.57 117.21 1rj9 h LYS 62 Ca -0.49 0.00 -0.68 0.00 -2.00 0.00 0.00 60.65 57.48 1rj9 h LYS 62 Cb 1.24 0.00 -0.16 0.00 -0.90 0.00 0.00 32.23 32.41 1rj9 h LYS 62 CO 0.69 0.79 1.13 0.16 -2.00 0.00 0.00 179.45 180.22 1rj9 s ASP 63 N -6.01 6.70 0.00 7.07 -4.77 -1.26 -4.99 116.67 113.41 1rj9 s ASP 63 Ca -0.18 -2.13 0.00 0.00 -3.30 0.00 0.00 52.55 46.95 1rj9 s ASP 63 Cb -0.01 -2.44 0.00 0.00 -1.09 0.00 0.00 42.92 39.38 1rj9 s ASP 63 CO 0.67 -1.10 0.00 0.18 0.70 0.00 0.00 175.17 175.63 1rj9 n LEU 64 N 6.93 0.00 0.00 2.11 7.99 -1.26 -3.22 117.00 129.55 1rj9 n LEU 64 Ca 0.29 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.29 1rj9 n LEU 64 Cb 0.48 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.79 1rj9 n LEU 64 CO 0.57 -0.34 0.00 0.29 -1.51 0.00 0.00 177.39 176.40 1rj9 n LYS 65 N 0.00 0.00 -0.13 3.23 4.76 -1.26 -3.81 118.16 120.95 1rj9 n LYS 65 Ca 0.00 0.00 -0.12 0.00 -2.87 0.00 0.00 58.31 55.32 1rj9 n LYS 65 Cb 0.00 0.00 -0.02 0.00 -1.84 0.00 0.00 35.03 33.17 1rj9 n LYS 65 CO 0.00 0.00 0.00 1.49 -1.37 0.00 0.00 177.40 177.52 1rj9 h GLU 66 N 0.00 0.87 -0.14 1.97 4.57 -1.99 0.38 114.58 120.25 1rj9 h GLU 66 Ca 0.00 -0.41 -0.11 0.00 -1.18 0.00 0.00 59.36 57.66 1rj9 h GLU 66 Cb 0.00 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 28.57 1rj9 h GLU 66 CO 0.00 1.05 -0.41 0.00 -1.18 0.00 0.00 179.01 178.48 1rj9 h ALA 67 N 0.80 1.04 -0.11 2.92 0.00 -1.65 -1.15 119.26 121.11 1rj9 h ALA 67 Ca 0.08 -0.42 -0.02 0.00 0.00 0.00 0.00 54.91 54.55 1rj9 h ALA 67 Cb 0.83 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.52 1rj9 h ALA 67 CO 0.07 0.60 -0.01 0.28 0.00 0.00 0.00 179.25 180.20 1rj9 h VAL 68 N 0.27 1.26 -0.71 0.00 2.07 -1.75 -0.28 116.25 117.11 1rj9 h VAL 68 Ca 0.02 -0.85 0.04 0.00 0.82 0.00 0.00 66.70 66.73 1rj9 h VAL 68 Cb 0.84 1.60 -0.05 0.00 -1.52 0.00 0.00 31.29 32.16 1rj9 h VAL 68 CO 0.07 0.24 0.44 0.11 0.02 0.00 0.00 177.57 178.45 1rj9 h LYS 69 N -0.08 0.82 -0.66 1.57 1.57 -0.02 0.27 116.57 120.04 1rj9 h LYS 69 Ca 0.03 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.74 1rj9 h LYS 69 Cb 0.38 -0.18 -0.03 0.00 0.08 0.00 0.00 32.23 32.47 1rj9 h LYS 69 CO 0.01 0.54 0.34 0.93 -0.57 0.00 0.00 179.45 180.70 1rj9 h GLU 70 N 0.84 0.93 -0.21 3.15 5.08 -1.07 0.04 114.58 123.35 1rj9 h GLU 70 Ca 0.29 -0.12 -0.03 0.00 -1.00 0.00 0.00 59.36 58.51 1rj9 h GLU 70 Cb 0.06 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.12 1rj9 h GLU 70 CO -0.12 0.72 0.03 -0.22 -1.00 0.00 0.00 179.01 178.42 1rj9 h LYS 71 N 0.91 0.35 -0.63 2.33 1.63 -0.02 -3.15 116.57 117.99 1rj9 h LYS 71 Ca 0.23 -0.09 -0.06 0.00 -0.85 0.00 0.00 60.65 59.87 1rj9 h LYS 71 Cb 0.08 -0.04 -0.03 0.00 -0.60 0.00 0.00 32.23 31.64 1rj9 h LYS 71 CO -0.03 0.50 0.14 -0.07 -3.45 0.00 0.00 179.45 176.53 1rj9 h LEU 72 N 0.15 0.97 0.00 5.20 3.38 -0.34 -0.64 115.31 124.03 1rj9 h LEU 72 Ca 0.06 -0.24 0.00 0.00 0.09 0.00 0.00 57.88 57.79 1rj9 h LEU 72 Cb 0.32 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.81 1rj9 h LEU 72 CO 0.00 0.96 0.00 0.52 0.09 0.00 0.00 178.44 180.01 1rj9 n VAL 73 N -4.31 0.00 -0.06 1.22 0.31 -0.01 -0.59 118.33 114.89 1rj9 n VAL 73 Ca 0.04 0.00 -0.06 0.00 -0.01 0.00 0.00 64.34 64.30 1rj9 n VAL 73 Cb 0.26 -0.72 -0.09 0.00 -0.91 0.00 0.00 33.84 32.38 1rj9 n VAL 73 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1rj9 n GLY 74 N -0.49 -0.50 0.70 2.92 0.00 -0.28 -4.43 105.19 103.12 1rj9 n GLY 74 Ca 0.03 -0.18 0.03 0.00 0.00 0.00 0.00 46.02 45.91 1rj9 n GLY 74 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1rj9 n MET 75 N -2.51 1.94 -2.04 1.61 2.00 0.24 -3.59 117.12 114.76 1rj9 n MET 75 Ca -0.20 -1.02 -0.09 0.00 0.00 0.00 0.00 57.70 56.39 1rj9 n MET 75 Cb 0.86 -1.45 0.06 0.00 0.00 0.00 0.00 33.22 32.68 1rj9 n MET 75 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 175.97 177.25 1rj9 n LEU 76 N 0.25 3.15 -3.15 4.03 4.77 -1.01 -4.40 117.00 120.65 1rj9 n LEU 76 Ca 0.09 -3.80 0.06 0.00 -0.03 0.00 0.00 56.01 52.33 1rj9 n LEU 76 Cb 0.38 -0.07 -0.00 0.00 -2.33 0.00 0.00 43.42 41.40 1rj9 n LEU 76 CO 0.08 1.51 0.66 -0.70 -1.33 0.00 0.00 177.39 177.61 1rj9 s GLU 77 N -3.26 0.03 0.33 3.23 2.56 -1.24 -4.83 118.70 115.52 1rj9 s GLU 77 Ca 0.40 0.03 0.23 0.00 0.00 0.00 0.00 54.97 55.63 1rj9 s GLU 77 Cb 0.37 0.01 0.24 0.00 2.00 0.00 0.00 34.13 36.76 1rj9 s GLU 77 CO -0.02 -0.04 1.41 -1.35 -0.56 0.00 0.00 175.26 174.69 1rj9 h PRO 78 N 7.22 0.00 0.00 4.30 0.11 -1.87 -3.33 132.00 138.43 1rj9 h PRO 78 Ca -0.11 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.00 1rj9 h PRO 78 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1rj9 h PRO 78 CO -0.18 0.00 0.06 -3.47 -0.21 0.00 0.00 178.00 174.20 1rj9 n ASP 79 N -2.87 0.00 0.00 -2.05 2.03 -1.26 -4.84 116.55 107.56 1rj9 n ASP 79 Ca 0.03 0.26 0.00 0.00 0.52 0.00 0.00 54.79 55.60 1rj9 n ASP 79 Cb 0.53 -0.26 0.00 0.00 -0.72 0.00 0.00 41.12 40.67 1rj9 n ASP 79 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1rj9 n GLU 80 N -1.22 0.00 -0.28 -0.67 4.71 -1.25 -4.68 120.64 117.24 1rj9 n GLU 80 Ca 0.00 0.00 0.04 0.00 -0.01 0.00 0.00 57.16 57.19 1rj9 n GLU 80 Cb 0.06 0.00 0.10 0.00 -1.01 0.00 0.00 31.44 30.60 1rj9 n GLU 80 CO 0.00 0.00 0.00 -2.13 0.09 0.00 0.00 177.13 175.09 1rj9 n ARG 81 N 0.00 -0.08 0.10 3.49 3.00 -1.26 -0.71 116.66 121.20 1rj9 n ARG 81 Ca 0.00 1.22 0.07 0.00 -0.00 0.00 0.00 57.85 59.14 1rj9 n ARG 81 Cb 0.00 -1.82 0.54 0.00 0.00 0.00 0.00 32.46 31.18 1rj9 n ARG 81 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.63 177.54 1rj9 h ARG 82 N 0.00 0.27 -0.11 -0.14 2.43 -1.95 -1.27 114.38 113.60 1rj9 h ARG 82 Ca 0.37 -0.02 -0.05 0.00 -0.81 0.00 0.00 59.98 59.47 1rj9 h ARG 82 Cb 0.56 -0.06 -0.00 0.00 -0.42 0.00 0.00 29.97 30.05 1rj9 h ARG 82 CO -0.80 0.18 -0.14 0.00 -1.51 0.00 0.00 179.97 177.69 1rj9 h ALA 83 N 1.84 0.17 -0.63 2.80 0.00 -1.30 -3.14 119.26 119.00 1rj9 h ALA 83 Ca 0.11 -0.33 0.01 0.00 0.00 0.00 0.00 54.91 54.70 1rj9 h ALA 83 Cb 0.09 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 1rj9 h ALA 83 CO -0.02 0.05 0.42 1.15 0.00 0.00 0.00 179.25 180.85 1rj9 h THR 84 N -0.11 1.16 -0.93 0.00 2.02 -1.18 -2.71 112.91 111.15 1rj9 h THR 84 Ca 0.01 -0.29 -0.01 0.00 0.77 0.00 0.00 66.41 66.89 1rj9 h THR 84 Cb 0.69 0.24 -0.04 0.00 -1.74 0.00 0.00 68.15 67.29 1rj9 h THR 84 CO 0.03 0.15 0.54 -0.07 0.37 0.00 0.00 175.52 176.54 1rj9 h LEU 85 N 0.84 1.13 -1.20 2.58 3.38 -1.21 -2.07 115.31 118.77 1rj9 h LEU 85 Ca 0.23 -0.08 -0.06 0.00 0.09 0.00 0.00 57.88 58.06 1rj9 h LEU 85 Cb -0.08 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 40.37 1rj9 h LEU 85 CO -0.05 0.89 -0.26 0.03 0.09 0.00 0.00 178.44 179.13 1rj9 h ARG 86 N 1.29 0.00 -0.02 1.13 3.08 -1.47 -1.70 114.38 116.69 1rj9 h ARG 86 Ca 0.33 0.00 -0.19 0.00 0.07 0.00 0.00 59.98 60.19 1rj9 h ARG 86 Cb -0.02 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.02 1rj9 h ARG 86 CO -0.06 0.26 -0.80 -0.22 -1.07 0.00 0.00 179.97 178.08 1rj9 h LYS 87 N 0.00 0.24 -0.68 0.04 1.63 -1.29 -3.22 116.57 113.28 1rj9 h LYS 87 Ca -0.00 -0.23 0.00 0.00 -0.85 0.00 0.00 60.65 59.57 1rj9 h LYS 87 Cb 0.72 0.06 0.00 0.00 -0.60 0.00 0.00 32.23 32.41 1rj9 h LYS 87 CO 0.03 0.92 0.00 1.28 -3.45 0.00 0.00 179.45 178.23 1rj9 n LEU 88 N -3.73 2.23 -0.33 5.20 4.77 -0.95 -4.84 117.00 119.35 1rj9 n LEU 88 Ca -0.04 -1.13 -0.04 0.00 -0.03 0.00 0.00 56.01 54.78 1rj9 n LEU 88 Cb 0.75 -0.45 -0.01 0.00 -2.33 0.00 0.00 43.42 41.39 1rj9 n LEU 88 CO 0.47 0.36 -0.04 0.61 -1.33 0.00 0.00 177.39 177.47 1rj9 n GLY 89 N 0.41 0.45 0.77 -0.72 0.00 -1.21 -5.04 105.19 99.85 1rj9 n GLY 89 Ca 0.09 -0.83 -0.05 0.00 0.00 0.00 0.00 46.02 45.23 1rj9 n GLY 89 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1rj9 n PHE 90 N -3.41 -1.85 -2.64 1.61 0.99 -0.66 -5.05 117.46 106.45 1rj9 n PHE 90 Ca -0.04 -0.45 -0.03 0.00 -0.00 0.00 0.00 57.45 56.93 1rj9 n PHE 90 Cb 0.31 -0.10 0.08 0.00 -1.00 0.00 0.00 39.48 38.77 1rj9 n PHE 90 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.76 176.85 1rj9 n ASN 91 N -2.28 -1.18 -4.70 4.37 4.13 -1.26 -4.39 115.26 109.94 1rj9 n ASN 91 Ca 0.01 -1.91 -0.42 0.00 1.68 0.00 0.00 54.58 53.93 1rj9 n ASN 91 Cb 0.12 0.64 -0.03 0.00 -1.54 0.00 0.00 39.78 38.98 1rj9 n ASN 91 CO 0.00 0.00 0.00 -2.84 0.28 0.00 0.00 177.26 174.70 1rj9 s PRO 92 N 0.10 4.37 0.35 3.52 0.02 -1.26 -5.02 135.00 137.08 1rj9 s PRO 92 Ca 0.09 1.79 0.06 0.00 0.02 0.00 0.00 61.00 62.96 1rj9 s PRO 92 Cb 0.29 -3.46 -0.02 0.00 0.02 0.00 0.00 34.50 31.32 1rj9 s PRO 92 CO -0.08 -0.39 0.23 1.04 -0.33 0.00 0.00 177.00 177.47 1rj9 n GLN 93 N 4.65 0.46 0.00 5.54 6.02 -1.26 -5.01 117.38 127.78 1rj9 n GLN 93 Ca 0.11 -3.33 0.00 0.00 -0.01 0.00 0.00 57.00 53.76 1rj9 n GLN 93 Cb 0.46 2.41 0.00 0.00 1.02 0.00 0.00 30.24 34.13 1rj9 n GLN 93 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1rj9 n LYS 94 N -0.72 0.00 0.00 -1.09 4.01 -1.26 -5.05 118.16 114.05 1rj9 n LYS 94 Ca 0.03 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.83 1rj9 n LYS 94 Cb 0.60 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 35.12 1rj9 n LYS 94 CO 0.00 0.00 0.00 -2.30 -1.11 0.00 0.00 177.40 173.99 1rj9 n PRO 95 N 0.00 0.00 -1.71 1.97 -0.03 -1.26 -4.84 135.00 129.13 1rj9 n PRO 95 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 63.50 63.47 1rj9 n PRO 95 Cb 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 33.50 33.47 1rj9 n PRO 95 CO 0.00 0.00 0.00 1.63 -0.03 0.00 0.00 175.50 177.10 1rj9 n LYS 96 N 0.00 -4.64 -1.58 -0.52 4.01 -1.26 -4.82 118.16 109.36 1rj9 n LYS 96 Ca 0.00 3.35 -0.50 0.00 -0.51 0.00 0.00 58.31 60.65 1rj9 n LYS 96 Cb 0.00 -3.62 -0.05 0.00 -0.51 0.00 0.00 35.03 30.85 1rj9 n LYS 96 CO 0.00 0.00 0.00 -2.30 -1.11 0.00 0.00 177.40 173.99 1rj9 n PRO 97 N 0.89 1.10 -1.76 1.97 -0.02 -1.26 -4.85 135.00 131.07 1rj9 n PRO 97 Ca 0.00 0.39 -0.42 0.00 -2.02 0.00 0.00 63.50 61.46 1rj9 n PRO 97 Cb 0.00 -1.93 -0.02 0.00 -0.02 0.00 0.00 33.50 31.53 1rj9 n PRO 97 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1rj9 s VAL 98 N 0.03 2.06 -0.07 -1.45 1.01 -1.26 -4.99 120.40 115.72 1rj9 s VAL 98 Ca 0.77 0.05 0.02 0.00 0.00 0.00 0.00 61.98 62.83 1rj9 s VAL 98 Cb -0.90 -3.03 0.01 0.00 0.00 0.00 0.00 36.38 32.46 1rj9 s VAL 98 CO 0.51 0.01 -0.13 -1.61 0.00 0.00 0.00 175.10 173.87 1rj9 s GLU 99 N 0.29 1.82 0.47 2.72 0.41 -1.26 -5.10 118.70 118.04 1rj9 s GLU 99 Ca 0.69 -0.45 -0.25 0.00 -0.41 0.00 0.00 54.97 54.55 1rj9 s GLU 99 Cb -0.49 -1.51 -0.08 0.00 -1.78 0.00 0.00 34.13 30.28 1rj9 s GLU 99 CO 0.40 0.02 1.41 -2.14 -0.49 0.00 0.00 175.26 174.46 1rj9 s PRO 100 N 0.72 3.60 0.29 0.39 0.02 -1.26 -4.90 135.00 133.85 1rj9 s PRO 100 Ca -0.13 2.39 0.03 0.00 0.02 0.00 0.00 61.00 63.30 1rj9 s PRO 100 Cb -0.16 -2.59 0.43 0.00 0.02 0.00 0.00 34.50 32.21 1rj9 s PRO 100 CO 0.03 -0.88 1.73 -0.22 -0.33 0.00 0.00 177.00 177.34 1rj9 h LYS 101 N 2.18 0.46 0.00 5.54 3.64 -1.95 -3.46 116.57 122.98 1rj9 h LYS 101 Ca -0.51 -0.17 0.00 0.00 -1.27 0.00 0.00 60.65 58.70 1rj9 h LYS 101 Cb 1.27 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 33.06 1rj9 h LYS 101 CO 0.60 0.67 0.00 0.41 -2.27 0.00 0.00 179.45 178.87 1rj9 n GLY 102 N -0.40 6.66 0.06 5.01 0.00 -1.26 -5.02 105.19 110.24 1rj9 n GLY 102 Ca -0.00 -1.76 0.11 0.00 0.00 0.00 0.00 46.02 44.37 1rj9 n GLY 102 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1rj9 n ARG 103 N 0.00 0.48 -5.06 1.61 1.74 -1.26 -4.90 116.66 109.27 1rj9 n ARG 103 Ca 0.00 0.01 -0.32 0.00 -0.77 0.00 0.00 57.85 56.77 1rj9 n ARG 103 Cb 0.00 -1.68 -0.15 0.00 -1.02 0.00 0.00 32.46 29.61 1rj9 n ARG 103 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1rj9 s VAL 104 N -3.32 2.50 -0.17 1.55 1.01 -1.26 -0.24 120.40 120.46 1rj9 s VAL 104 Ca -0.00 -0.89 0.01 0.00 0.00 0.00 0.00 61.98 61.10 1rj9 s VAL 104 Cb 0.12 -1.97 0.03 0.00 0.00 0.00 0.00 36.38 34.56 1rj9 s VAL 104 CO 0.81 0.56 -0.14 -0.69 0.00 0.00 0.00 175.10 175.65 1rj9 s VAL 105 N -0.02 1.69 -0.23 2.92 1.01 -0.22 -2.93 120.40 122.62 1rj9 s VAL 105 Ca -0.06 -0.83 -0.14 0.00 0.00 0.00 0.00 61.98 60.94 1rj9 s VAL 105 Cb -0.15 -1.64 -0.04 0.00 0.00 0.00 0.00 36.38 34.56 1rj9 s VAL 105 CO 0.05 0.36 0.34 -0.22 0.00 0.00 0.00 175.10 175.63 1rj9 s LEU 106 N 1.42 4.11 -0.23 3.92 2.96 -0.36 -0.50 118.68 129.99 1rj9 s LEU 106 Ca 0.02 0.36 -0.07 0.00 -0.22 0.00 0.00 54.13 54.22 1rj9 s LEU 106 Cb -0.14 -2.40 -0.03 0.00 0.50 0.00 0.00 46.19 44.11 1rj9 s LEU 106 CO -0.10 -0.08 0.07 -0.69 -1.32 0.00 0.00 176.35 174.23 1rj9 s VAL 107 N 1.51 4.46 0.25 1.68 1.01 -0.37 -0.67 120.40 128.27 1rj9 s VAL 107 Ca 0.15 -0.13 0.06 0.00 0.00 0.00 0.00 61.98 62.06 1rj9 s VAL 107 Cb -0.15 -3.06 -0.05 0.00 0.00 0.00 0.00 36.38 33.11 1rj9 s VAL 107 CO 0.08 0.37 -0.05 0.68 0.00 0.00 0.00 175.10 176.18 1rj9 s VAL 108 N 1.27 1.45 0.00 2.92 -7.23 -0.41 -3.55 120.40 114.85 1rj9 s VAL 108 Ca 0.05 -2.10 0.00 0.00 -1.81 0.00 0.00 61.98 58.12 1rj9 s VAL 108 Cb -0.15 -2.36 0.00 0.00 0.56 0.00 0.00 36.38 34.43 1rj9 s VAL 108 CO 0.04 -0.35 0.00 0.61 -0.31 0.00 0.00 175.10 175.09 1rj9 n GLY 109 N -0.50 2.53 3.82 2.32 0.00 -1.26 -1.16 105.19 110.93 1rj9 n GLY 109 Ca -0.06 -1.05 -0.30 0.00 0.00 0.00 0.00 46.02 44.61 1rj9 n GLY 109 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1rj9 s VAL 110 N -2.00 2.88 0.06 1.61 -7.23 -1.25 -3.15 120.40 111.32 1rj9 s VAL 110 Ca 0.00 0.29 -0.35 0.00 -1.81 0.00 0.00 61.98 60.11 1rj9 s VAL 110 Cb 0.00 -3.08 -0.14 0.00 0.56 0.00 0.00 36.38 33.72 1rj9 s VAL 110 CO 0.00 -0.37 1.62 0.59 -0.31 0.00 0.00 175.10 176.63 1rj9 n ASN 111 N -3.43 2.90 0.00 4.85 3.02 -1.26 -3.15 115.26 118.20 1rj9 n ASN 111 Ca 0.07 1.06 0.00 0.00 -0.03 0.00 0.00 54.58 55.68 1rj9 n ASN 111 Cb 0.57 -1.36 0.00 0.00 -0.61 0.00 0.00 39.78 38.38 1rj9 n ASN 111 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1rj9 n GLY 112 N 3.55 1.19 0.21 7.41 0.00 -1.26 -4.96 105.19 111.32 1rj9 n GLY 112 Ca 0.19 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.28 1rj9 n GLY 112 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1rj9 h VAL 113 N 0.00 0.81 0.00 1.61 -1.51 -1.90 -3.47 116.25 111.79 1rj9 h VAL 113 Ca 0.00 -1.26 0.00 0.00 -1.23 0.00 0.00 66.70 64.21 1rj9 h VAL 113 Cb 0.00 1.78 0.00 0.00 -2.13 0.00 0.00 31.29 30.94 1rj9 h VAL 113 CO 0.00 0.30 0.00 0.61 -1.23 0.00 0.00 177.57 177.25 1rj9 n GLY 114 N -0.00 1.72 0.35 5.19 0.00 -1.26 -4.41 105.19 106.78 1rj9 n GLY 114 Ca -0.01 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.86 1rj9 n GLY 114 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1rj9 h LYS 115 N 0.00 -0.64 -0.33 1.61 1.57 -1.91 -1.36 116.57 115.49 1rj9 h LYS 115 Ca 0.00 0.04 0.01 0.00 -1.87 0.00 0.00 60.65 58.84 1rj9 h LYS 115 Cb 0.00 0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.44 1rj9 h LYS 115 CO 0.00 -0.43 0.20 1.15 -0.57 0.00 0.00 179.45 179.80 1rj9 h THR 116 N -0.67 1.05 -0.27 -0.16 2.02 -1.97 -1.85 112.91 111.05 1rj9 h THR 116 Ca -0.02 -0.14 -0.10 0.00 0.77 0.00 0.00 66.41 66.92 1rj9 h THR 116 Cb 0.61 0.60 -0.01 0.00 -1.74 0.00 0.00 68.15 67.60 1rj9 h THR 116 CO -0.06 0.07 -0.24 0.74 0.37 0.00 0.00 175.52 176.40 1rj9 h THR 117 N 0.41 1.27 -0.46 3.16 2.02 -1.98 -2.53 112.91 114.79 1rj9 h THR 117 Ca 0.13 -1.27 -0.08 0.00 0.77 0.00 0.00 66.41 65.96 1rj9 h THR 117 Cb -0.01 1.32 -0.02 0.00 -1.74 0.00 0.00 68.15 67.70 1rj9 h THR 117 CO -0.05 0.41 -0.04 0.74 0.37 0.00 0.00 175.52 176.94 1rj9 h THR 118 N 0.47 1.25 -0.66 3.16 2.02 -0.97 -1.57 112.91 116.61 1rj9 h THR 118 Ca 0.07 -1.07 -0.07 0.00 0.77 0.00 0.00 66.41 66.11 1rj9 h THR 118 Cb 0.67 0.95 -0.03 0.00 -1.74 0.00 0.00 68.15 68.00 1rj9 h THR 118 CO 0.05 0.37 0.13 0.40 0.37 0.00 0.00 175.52 176.84 1rj9 h ILE 119 N 0.72 1.26 -0.52 3.11 2.04 -1.07 0.30 117.51 123.34 1rj9 h ILE 119 Ca 0.13 -0.99 0.02 0.00 1.00 0.00 0.00 64.86 65.02 1rj9 h ILE 119 Cb 0.51 0.64 -0.03 0.00 -0.74 0.00 0.00 36.82 37.19 1rj9 h ILE 119 CO 0.03 0.37 0.32 0.00 0.00 0.00 0.00 178.15 178.87 1rj9 h ALA 120 N 1.05 0.67 -0.35 1.87 0.00 -1.03 -0.84 119.26 120.63 1rj9 h ALA 120 Ca 0.20 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 55.03 1rj9 h ALA 120 Cb 0.40 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 1rj9 h ALA 120 CO 0.01 0.05 -0.03 0.87 0.00 0.00 0.00 179.25 180.14 1rj9 h LYS 121 N 0.65 0.57 -0.10 0.00 1.57 -0.86 -2.13 116.57 116.27 1rj9 h LYS 121 Ca 0.20 -0.14 -0.11 0.00 -1.87 0.00 0.00 60.65 58.73 1rj9 h LYS 121 Cb -0.01 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.21 1rj9 h LYS 121 CO -0.08 0.62 -0.44 -0.07 -0.57 0.00 0.00 179.45 178.91 1rj9 h LEU 122 N 0.54 0.25 -0.22 2.94 3.38 -0.35 -0.65 115.31 121.20 1rj9 h LEU 122 Ca 0.11 -0.11 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 1rj9 h LEU 122 Cb 0.40 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 1rj9 h LEU 122 CO 0.02 0.67 0.07 1.23 0.09 0.00 0.00 178.44 180.52 1rj9 h GLY 123 N 1.26 0.37 0.97 0.83 0.00 -0.55 -1.38 103.07 104.57 1rj9 h GLY 123 Ca 0.01 -0.21 -0.01 0.00 0.00 0.00 0.00 47.33 47.12 1rj9 h GLY 123 CO 0.07 0.20 0.23 -0.09 0.00 0.00 0.00 176.54 176.95 1rj9 h ARG 124 N 0.19 0.61 -0.25 4.80 9.65 -1.20 0.42 114.38 128.60 1rj9 h ARG 124 Ca 0.07 -0.08 0.01 0.00 -1.10 0.00 0.00 59.98 58.89 1rj9 h ARG 124 Cb 0.22 -0.12 -0.02 0.00 -1.39 0.00 0.00 29.97 28.67 1rj9 h ARG 124 CO -0.00 0.50 0.15 -0.92 2.80 0.00 0.00 179.97 182.49 1rj9 h TYR 125 N 0.57 0.27 0.00 2.20 5.03 -0.95 -2.12 116.97 121.98 1rj9 h TYR 125 Ca 0.15 0.01 -0.15 0.00 2.58 0.00 0.00 58.73 61.32 1rj9 h TYR 125 Cb 0.07 -0.09 -0.02 0.00 1.55 0.00 0.00 36.73 38.24 1rj9 h TYR 125 CO -0.02 0.16 -0.71 1.88 -1.32 0.00 0.00 178.16 178.16 1rj9 h TYR 126 N 0.30 0.00 0.00 -3.82 -1.99 -1.17 -3.12 116.97 107.17 1rj9 h TYR 126 Ca 0.10 0.00 -0.09 0.00 2.00 0.00 0.00 58.73 60.74 1rj9 h TYR 126 Cb -0.00 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 38.71 1rj9 h TYR 126 CO -0.08 0.71 -0.43 -0.56 -0.00 0.00 0.00 178.16 177.80 1rj9 h GLN 127 N 0.00 0.00 0.00 4.88 3.07 -0.81 -1.38 115.11 120.88 1rj9 h GLN 127 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.73 1rj9 h GLN 127 Cb 1.52 0.00 0.00 0.00 0.08 0.00 0.00 27.48 29.08 1rj9 h GLN 127 CO 0.09 0.43 0.00 -0.91 0.09 0.00 0.00 178.83 178.53 1rj9 h ASN 128 N 0.00 0.00 -0.58 0.06 2.35 -1.32 -2.09 115.58 114.01 1rj9 h ASN 128 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1rj9 h ASN 128 Cb 0.83 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.20 1rj9 h ASN 128 CO 0.06 0.00 0.00 0.18 -1.65 0.00 0.00 177.43 176.02 1rj9 n LEU 129 N -2.79 3.38 0.00 1.61 4.77 -0.62 -4.92 117.00 118.43 1rj9 n LEU 129 Ca 0.02 -1.69 0.00 0.00 -0.03 0.00 0.00 56.01 54.30 1rj9 n LEU 129 Cb 0.31 -0.43 0.00 0.00 -2.33 0.00 0.00 43.42 40.97 1rj9 n LEU 129 CO 0.26 0.76 0.00 0.61 -1.33 0.00 0.00 177.39 177.69 1rj9 n GLY 130 N 1.32 0.64 3.83 -0.72 0.00 -0.78 -5.05 105.19 104.43 1rj9 n GLY 130 Ca 0.20 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.89 1rj9 n GLY 130 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1rj9 s LYS 131 N -0.14 4.13 -0.46 1.61 -0.14 -0.62 -5.01 119.74 119.11 1rj9 s LYS 131 Ca 0.00 0.89 -0.20 0.00 -1.36 0.00 0.00 55.97 55.31 1rj9 s LYS 131 Cb 0.00 -2.36 0.03 0.00 -1.68 0.00 0.00 37.83 33.82 1rj9 s LYS 131 CO 0.00 0.10 0.60 0.15 -0.76 0.00 0.00 175.35 175.44 1rj9 s LYS 132 N -2.98 3.19 0.03 1.68 1.02 -1.26 -4.29 119.74 117.14 1rj9 s LYS 132 Ca 0.57 -0.61 0.02 0.00 0.02 0.00 0.00 55.97 55.97 1rj9 s LYS 132 Cb -0.10 -4.00 -0.04 0.00 -0.52 0.00 0.00 37.83 33.17 1rj9 s LYS 132 CO 0.16 -1.06 0.02 0.08 -0.92 0.00 0.00 175.35 173.63 1rj9 s VAL 133 N 2.65 4.20 0.05 3.17 1.01 -1.26 -0.78 120.40 129.44 1rj9 s VAL 133 Ca 0.18 -0.71 0.03 0.00 0.00 0.00 0.00 61.98 61.47 1rj9 s VAL 133 Cb -0.16 -2.93 -0.03 0.00 0.00 0.00 0.00 36.38 33.26 1rj9 s VAL 133 CO 0.16 0.27 -0.08 -0.32 0.00 0.00 0.00 175.10 175.12 1rj9 s MET 134 N -1.88 0.59 0.16 2.72 0.00 -0.44 -4.21 119.30 116.24 1rj9 s MET 134 Ca 0.23 -0.83 0.11 0.00 0.00 0.00 0.00 55.69 55.20 1rj9 s MET 134 Cb -0.12 -0.35 -0.04 0.00 0.00 0.00 0.00 34.83 34.32 1rj9 s MET 134 CO 0.14 0.06 -0.25 -0.06 0.00 0.00 0.00 175.02 174.91 1rj9 s PHE 135 N -1.54 2.25 -0.22 4.11 0.08 -0.16 -1.84 117.98 120.66 1rj9 s PHE 135 Ca -0.07 -0.38 0.02 0.00 0.12 0.00 0.00 56.93 56.62 1rj9 s PHE 135 Cb -0.09 -1.17 0.04 0.00 -0.57 0.00 0.00 43.02 41.23 1rj9 s PHE 135 CO 0.00 0.40 -0.14 0.00 -0.10 0.00 0.00 175.22 175.39 1rj9 n ALA 137 N 4.55 4.21 0.29 0.00 0.00 0.09 -1.51 120.51 128.14 1rj9 n ALA 137 Ca -0.16 -3.70 0.14 0.00 0.00 0.00 0.00 53.44 49.72 1rj9 n ALA 137 Cb 0.46 -3.57 0.68 0.00 0.00 0.00 0.00 19.45 17.02 1rj9 n ALA 137 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1rj9 h GLY 138 N 12.15 0.00 -7.24 0.00 0.00 -1.75 -3.40 103.07 102.83 1rj9 h GLY 138 Ca 0.48 0.00 -0.59 0.00 0.00 0.00 0.00 47.33 47.22 1rj9 h GLY 138 CO 1.70 0.00 1.20 -0.35 0.00 0.00 0.00 176.54 179.09 1rj9 s ASP 139 N -4.56 6.36 0.00 0.19 3.68 -1.25 -4.28 116.67 116.81 1rj9 s ASP 139 Ca -0.00 -1.09 0.17 0.00 2.13 0.00 0.00 52.55 53.75 1rj9 s ASP 139 Cb 0.09 -2.54 0.40 0.00 -1.45 0.00 0.00 42.92 39.42 1rj9 s ASP 139 CO 0.35 -1.59 1.32 0.35 0.13 0.00 0.00 175.17 175.74 1rj9 n THR 140 N 6.50 0.80 -0.12 1.71 -2.24 -1.26 -3.12 114.28 116.54 1rj9 n THR 140 Ca 0.18 -0.90 -0.25 0.00 -2.27 0.00 0.00 64.05 60.81 1rj9 n THR 140 Cb 0.50 0.67 -0.10 0.00 -2.10 0.00 0.00 70.33 69.30 1rj9 n THR 140 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83 1rj9 n PHE 141 N 1.04 0.34 -2.97 4.78 7.35 -1.26 -0.03 117.46 126.71 1rj9 n PHE 141 Ca 0.16 0.15 -0.33 0.00 -0.76 0.00 0.00 57.45 56.67 1rj9 n PHE 141 Cb 0.50 -0.99 -0.07 0.00 0.35 0.00 0.00 39.48 39.28 1rj9 n PHE 141 CO 0.00 0.00 0.00 0.50 -0.76 0.00 0.00 176.76 176.50 1rj9 s ARG 142 N -2.48 4.17 0.07 -4.13 3.52 -1.26 -4.87 118.95 113.97 1rj9 s ARG 142 Ca -0.34 0.93 -0.34 0.00 -0.13 0.00 0.00 55.73 55.85 1rj9 s ARG 142 Cb 0.11 -2.39 -0.13 0.00 -1.56 0.00 0.00 34.95 30.98 1rj9 s ARG 142 CO 0.51 0.11 1.71 0.00 -0.81 0.00 0.00 175.30 176.81 1rj9 n ALA 143 N -0.32 1.27 -1.16 6.12 0.00 -1.26 -0.80 120.51 124.36 1rj9 n ALA 143 Ca 0.04 0.38 -0.05 0.00 0.00 0.00 0.00 53.44 53.81 1rj9 n ALA 143 Cb 0.53 -2.42 -0.02 0.00 0.00 0.00 0.00 19.45 17.53 1rj9 n ALA 143 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1rj9 n ALA 144 N 4.73 -0.08 0.16 0.00 0.00 -1.26 -4.85 120.51 119.20 1rj9 n ALA 144 Ca 0.19 0.09 0.07 0.00 0.00 0.00 0.00 53.44 53.78 1rj9 n ALA 144 Cb 0.30 -1.42 0.56 0.00 0.00 0.00 0.00 19.45 18.88 1rj9 n ALA 144 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1rj9 h GLY 145 N 0.00 0.22 0.38 0.00 0.00 -1.20 -1.18 103.07 101.29 1rj9 h GLY 145 Ca -0.11 -0.08 -0.37 0.00 0.00 0.00 0.00 47.33 46.77 1rj9 h GLY 145 CO 0.16 0.08 -2.17 0.61 0.00 0.00 0.00 176.54 175.22 1rj9 n GLY 146 N -1.52 -0.57 0.24 4.60 0.00 -1.18 -4.11 105.19 102.66 1rj9 n GLY 146 Ca -0.01 -0.22 0.04 0.00 0.00 0.00 0.00 46.02 45.83 1rj9 n GLY 146 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1rj9 h THR 147 N 0.03 1.15 -0.66 2.61 1.35 -1.89 -0.83 112.91 114.67 1rj9 h THR 147 Ca -0.48 -0.66 -0.02 0.00 -0.55 0.00 0.00 66.41 64.71 1rj9 h THR 147 Cb 2.00 1.18 -0.03 0.00 -1.73 0.00 0.00 68.15 69.57 1rj9 h THR 147 CO 0.02 0.20 0.34 -0.61 -0.25 0.00 0.00 175.52 175.22 1rj9 h GLN 148 N 0.18 0.93 -0.10 4.72 4.15 -1.39 -0.94 115.11 122.67 1rj9 h GLN 148 Ca 0.04 -0.12 -0.20 0.00 0.77 0.00 0.00 58.65 59.14 1rj9 h GLN 148 Cb 0.31 -0.18 -0.00 0.00 0.21 0.00 0.00 27.48 27.82 1rj9 h GLN 148 CO 0.02 0.72 -0.74 1.25 -1.93 0.00 0.00 178.83 178.15 1rj9 h LEU 149 N 0.91 0.63 -1.09 -2.39 5.85 -1.55 -2.98 115.31 114.69 1rj9 h LEU 149 Ca 0.23 -0.41 0.03 0.00 0.84 0.00 0.00 57.88 58.57 1rj9 h LEU 149 Cb 0.08 -0.19 -0.05 0.00 0.37 0.00 0.00 40.66 40.87 1rj9 h LEU 149 CO -0.03 1.17 0.62 -1.28 -0.34 0.00 0.00 178.44 178.57 1rj9 h SER 150 N 0.36 1.04 -0.53 1.25 0.87 -0.80 -0.38 113.55 115.36 1rj9 h SER 150 Ca -0.04 -0.02 -0.09 0.00 -1.23 0.00 0.00 61.79 60.42 1rj9 h SER 150 Cb 1.33 -0.25 -0.02 0.00 -0.44 0.00 0.00 62.40 63.02 1rj9 h SER 150 CO 0.14 0.73 -0.01 -0.08 -0.53 0.00 0.00 176.83 177.07 1rj9 h GLU 151 N 1.21 0.98 -0.60 2.24 4.57 -1.12 -1.22 114.58 120.65 1rj9 h GLU 151 Ca 0.36 -0.30 -0.09 0.00 -1.18 0.00 0.00 59.36 58.16 1rj9 h GLU 151 Cb -0.05 -0.09 -0.02 0.00 -0.16 0.00 0.00 28.75 28.43 1rj9 h GLU 151 CO -0.10 0.97 0.04 -1.49 -1.18 0.00 0.00 179.01 177.25 1rj9 h TRP 152 N 0.89 1.11 -0.82 0.92 4.06 -1.18 -1.61 115.95 119.32 1rj9 h TRP 152 Ca 0.16 -0.18 0.01 0.00 2.06 0.00 0.00 58.89 60.94 1rj9 h TRP 152 Cb 0.54 -0.29 -0.04 0.00 -1.00 0.00 0.00 29.16 28.37 1rj9 h TRP 152 CO 0.03 0.97 0.54 0.78 -3.56 0.00 0.00 178.44 177.21 1rj9 h GLY 153 N 0.93 1.16 0.99 1.49 0.00 -0.78 -0.25 103.07 106.60 1rj9 h GLY 153 Ca 0.17 -0.44 -0.03 0.00 0.00 0.00 0.00 47.33 47.04 1rj9 h GLY 153 CO 0.02 0.43 0.27 1.70 0.00 0.00 0.00 176.54 178.96 1rj9 h LYS 154 N 1.11 0.88 -0.19 4.80 3.64 -0.90 0.48 116.57 126.39 1rj9 h LYS 154 Ca 0.30 -0.14 -0.06 0.00 -1.27 0.00 0.00 60.65 59.48 1rj9 h LYS 154 Cb -0.12 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 31.53 1rj9 h LYS 154 CO -0.06 0.73 -0.14 0.00 -2.27 0.00 0.00 179.45 177.70 1rj9 h ARG 155 N 0.82 0.31 -0.24 1.90 3.08 -0.70 -2.86 114.38 116.69 1rj9 h ARG 155 Ca 0.20 -0.08 0.00 0.00 0.07 0.00 0.00 59.98 60.17 1rj9 h ARG 155 Cb 0.15 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.17 1rj9 h ARG 155 CO -0.02 0.46 0.00 1.28 -1.07 0.00 0.00 179.97 180.62 1rj9 n LEU 156 N -4.24 3.19 -3.69 3.04 4.77 -0.16 -4.96 117.00 114.95 1rj9 n LEU 156 Ca -0.00 -1.26 -0.24 0.00 -0.03 0.00 0.00 56.01 54.48 1rj9 n LEU 156 Cb 0.30 -0.15 0.05 0.00 -2.33 0.00 0.00 43.42 41.29 1rj9 n LEU 156 CO 0.39 0.63 0.08 -1.20 -1.33 0.00 0.00 177.39 175.96 1rj9 n SER 157 N 1.37 -3.45 -4.20 -1.43 7.64 0.14 -4.99 113.62 108.70 1rj9 n SER 157 Ca 0.17 -0.71 -0.32 0.00 1.01 0.00 0.00 58.87 59.02 1rj9 n SER 157 Cb 0.59 -4.41 -0.17 0.00 -1.01 0.00 0.00 64.21 59.21 1rj9 n SER 157 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1rj9 s ILE 158 N -3.44 2.03 0.36 0.44 1.01 0.62 -5.02 121.20 117.20 1rj9 s ILE 158 Ca 0.31 -0.99 -0.28 0.00 0.00 0.00 0.00 60.65 59.69 1rj9 s ILE 158 Cb -0.15 -1.77 -0.11 0.00 0.01 0.00 0.00 42.46 40.45 1rj9 s ILE 158 CO 0.79 0.55 1.43 -2.84 0.00 0.00 0.00 174.94 174.87 1rj9 s PRO 159 N 0.47 4.18 -0.11 2.79 0.02 -1.26 -4.30 135.00 136.79 1rj9 s PRO 159 Ca -0.16 2.46 -0.01 0.00 0.02 0.00 0.00 61.00 63.32 1rj9 s PRO 159 Cb -0.17 -3.00 0.03 0.00 0.02 0.00 0.00 34.50 31.37 1rj9 s PRO 159 CO 0.06 -0.43 -0.06 0.08 -0.33 0.00 0.00 177.00 176.32 1rj9 s VAL 160 N -1.12 0.95 -0.32 3.83 1.01 -1.26 -0.98 120.40 122.51 1rj9 s VAL 160 Ca 0.52 -0.27 -0.23 0.00 0.00 0.00 0.00 61.98 62.00 1rj9 s VAL 160 Cb -0.44 -1.00 0.00 0.00 0.00 0.00 0.00 36.38 34.93 1rj9 s VAL 160 CO 0.60 0.33 0.77 -0.63 0.00 0.00 0.00 175.10 176.17 1rj9 s ILE 161 N 1.74 4.80 0.10 2.22 1.01 -0.04 -4.92 121.20 126.10 1rj9 s ILE 161 Ca 0.05 1.07 -0.02 0.00 0.00 0.00 0.00 60.65 61.75 1rj9 s ILE 161 Cb -0.13 -4.14 -0.04 0.00 0.01 0.00 0.00 42.46 38.17 1rj9 s ILE 161 CO -0.08 -0.28 0.05 0.00 0.00 0.00 0.00 174.94 174.63 1rj9 s GLN 162 N 2.94 0.81 0.27 2.79 -2.07 -1.26 -0.73 119.66 122.40 1rj9 s GLN 162 Ca 0.31 -1.30 0.03 0.00 -1.82 0.00 0.00 55.36 52.57 1rj9 s GLN 162 Cb -0.14 0.24 -0.04 0.00 -1.09 0.00 0.00 33.01 31.99 1rj9 s GLN 162 CO 0.13 -0.21 0.18 0.20 -1.32 0.00 0.00 175.29 174.28 1rj9 s GLY 163 N -2.98 1.87 0.64 2.60 0.00 -1.26 -5.05 107.32 103.13 1rj9 s GLY 163 Ca 0.16 -1.84 -0.18 0.00 0.00 0.00 0.00 44.72 42.86 1rj9 s GLY 163 CO -0.04 -1.47 1.29 -4.14 0.00 0.00 0.00 173.10 168.74 1rj9 s PRO 164 N -3.85 2.61 0.25 2.90 0.02 -1.26 -4.86 135.00 130.81 1rj9 s PRO 164 Ca 0.39 2.05 -0.31 0.00 0.02 0.00 0.00 61.00 63.15 1rj9 s PRO 164 Cb 0.05 -1.87 -0.12 0.00 0.02 0.00 0.00 34.50 32.58 1rj9 s PRO 164 CO 0.18 -1.55 1.59 0.39 -0.33 0.00 0.00 177.00 177.28 1rj9 n GLU 165 N -1.85 2.54 0.00 5.54 1.02 -1.26 -1.52 120.64 125.11 1rj9 n GLU 165 Ca 0.15 0.91 0.00 0.00 -0.02 0.00 0.00 57.16 58.20 1rj9 n GLU 165 Cb 0.48 -2.68 0.00 0.00 -0.02 0.00 0.00 31.44 29.22 1rj9 n GLU 165 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1rj9 n GLY 166 N 2.67 1.83 3.75 0.62 0.00 0.96 -5.03 105.19 109.99 1rj9 n GLY 166 Ca 0.12 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.76 1rj9 n GLY 166 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1rj9 s THR 167 N -2.31 2.26 -0.14 2.61 2.01 -0.58 -4.90 115.64 114.60 1rj9 s THR 167 Ca 0.00 0.18 -0.29 0.00 0.31 0.00 0.00 61.69 61.88 1rj9 s THR 167 Cb 0.00 -3.08 -0.04 0.00 0.01 0.00 0.00 72.50 69.39 1rj9 s THR 167 CO 0.00 -0.02 1.63 -0.62 -0.69 0.00 0.00 174.62 174.92 1rj9 s ASP 168 N -1.26 6.52 0.28 3.53 -1.08 -1.26 -4.75 116.67 118.65 1rj9 s ASP 168 Ca 0.76 1.92 0.01 0.00 -0.52 0.00 0.00 52.55 54.71 1rj9 s ASP 168 Cb -0.36 -2.53 0.52 0.00 -1.46 0.00 0.00 42.92 39.09 1rj9 s ASP 168 CO 0.41 -1.09 1.86 0.28 0.52 0.00 0.00 175.17 177.15 1rj9 h SER 169 N 10.15 0.95 -0.27 -0.34 0.02 -1.90 -1.60 113.55 120.56 1rj9 h SER 169 Ca -0.36 0.03 -0.02 0.00 -0.84 0.00 0.00 61.79 60.60 1rj9 h SER 169 Cb 1.16 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 63.53 1rj9 h SER 169 CO 0.98 0.55 0.09 0.00 -1.14 0.00 0.00 176.83 177.31 1rj9 h ALA 170 N 1.51 0.35 -0.79 3.77 0.00 -1.90 -0.45 119.26 121.76 1rj9 h ALA 170 Ca 0.46 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 55.21 1rj9 h ALA 170 Cb 0.37 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.02 1rj9 h ALA 170 CO -0.22 -0.03 0.40 0.00 0.00 0.00 0.00 179.25 179.40 1rj9 h ALA 171 N 0.93 1.21 -0.37 0.00 0.00 -1.83 -0.58 119.26 118.62 1rj9 h ALA 171 Ca 0.09 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 1rj9 h ALA 171 Cb 0.22 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1rj9 h ALA 171 CO -0.00 0.61 0.09 1.25 0.00 0.00 0.00 179.25 181.20 1rj9 h LEU 172 N 1.12 0.56 -0.64 0.00 5.85 -1.02 -1.43 115.31 119.75 1rj9 h LEU 172 Ca 0.27 -0.23 -0.01 0.00 0.84 0.00 0.00 57.88 58.75 1rj9 h LEU 172 Cb 0.08 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 40.93 1rj9 h LEU 172 CO -0.04 0.65 0.36 0.00 -0.34 0.00 0.00 178.44 179.07 1rj9 h ALA 173 N 0.93 0.82 -0.31 1.25 0.00 -0.71 0.66 119.26 121.90 1rj9 h ALA 173 Ca 0.11 -0.10 0.03 0.00 0.00 0.00 0.00 54.91 54.96 1rj9 h ALA 173 Cb 0.31 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 1rj9 h ALA 173 CO 0.00 0.32 0.12 -0.92 0.00 0.00 0.00 179.25 178.78 1rj9 h TYR 174 N 0.87 0.23 -0.72 0.00 3.20 -0.90 -0.43 116.97 119.21 1rj9 h TYR 174 Ca 0.23 0.01 -0.03 0.00 3.14 0.00 0.00 58.73 62.08 1rj9 h TYR 174 Cb 0.02 -0.06 -0.03 0.00 1.54 0.00 0.00 36.73 38.20 1rj9 h TYR 174 CO -0.01 0.11 0.35 -0.44 -1.64 0.00 0.00 178.16 176.53 1rj9 h ASP 175 N 0.27 0.93 -0.57 -2.11 3.45 -0.83 -1.68 116.42 115.88 1rj9 h ASP 175 Ca 0.13 -0.10 -0.05 0.00 0.43 0.00 0.00 57.03 57.44 1rj9 h ASP 175 Cb 0.09 -0.24 -0.02 0.00 -0.56 0.00 0.00 39.33 38.59 1rj9 h ASP 175 CO -0.12 0.79 0.16 0.00 -1.57 0.00 0.00 179.24 178.50 1rj9 h ALA 176 N 1.35 0.75 -0.51 3.45 0.00 -0.05 -0.84 119.26 123.42 1rj9 h ALA 176 Ca 0.25 -0.21 -0.10 0.00 0.00 0.00 0.00 54.91 54.85 1rj9 h ALA 176 Cb 0.10 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 1rj9 h ALA 176 CO -0.03 0.44 -0.06 0.28 0.00 0.00 0.00 179.25 179.88 1rj9 h VAL 177 N 0.81 1.27 -0.62 0.00 2.07 -0.83 -1.03 116.25 117.92 1rj9 h VAL 177 Ca 0.18 -1.18 -0.03 0.00 0.82 0.00 0.00 66.70 66.50 1rj9 h VAL 177 Cb 0.32 0.99 -0.03 0.00 -1.52 0.00 0.00 31.29 31.05 1rj9 h VAL 177 CO -0.00 0.41 0.29 1.56 0.02 0.00 0.00 177.57 179.85 1rj9 h GLN 178 N 0.81 0.91 -0.59 1.57 4.20 -1.10 -1.33 115.11 119.56 1rj9 h GLN 178 Ca 0.14 -0.14 -0.06 0.00 0.06 0.00 0.00 58.65 58.65 1rj9 h GLN 178 Cb 0.60 -0.16 -0.02 0.00 0.30 0.00 0.00 27.48 28.20 1rj9 h GLN 178 CO 0.04 0.74 0.15 0.00 -0.67 0.00 0.00 178.83 179.08 1rj9 h ALA 179 N 1.12 0.78 -0.68 3.87 0.00 -1.01 -0.87 119.26 122.48 1rj9 h ALA 179 Ca 0.21 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1rj9 h ALA 179 Cb 0.14 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 1rj9 h ALA 179 CO -0.02 0.48 0.42 1.98 0.00 0.00 0.00 179.25 182.11 1rj9 h MET 180 N 0.86 0.91 -0.20 0.00 1.85 -0.85 -0.97 114.93 116.52 1rj9 h MET 180 Ca 0.19 -0.07 -0.07 0.00 -0.61 0.00 0.00 59.70 59.14 1rj9 h MET 180 Cb 0.34 -0.20 -0.00 0.00 0.43 0.00 0.00 31.60 32.17 1rj9 h MET 180 CO 0.00 0.63 -0.15 0.87 -0.40 0.00 0.00 176.91 177.86 1rj9 h LYS 181 N 0.92 0.46 -0.50 0.39 1.79 -1.04 -1.72 116.57 116.86 1rj9 h LYS 181 Ca 0.24 -0.22 -0.01 0.00 -2.18 0.00 0.00 60.65 58.48 1rj9 h LYS 181 Cb -0.06 -0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.56 1rj9 h LYS 181 CO -0.05 0.78 0.27 0.00 -1.08 0.00 0.00 179.45 179.37 1rj9 h ALA 182 N 0.67 1.54 -0.01 3.86 0.00 -0.98 -2.75 119.26 121.58 1rj9 h ALA 182 Ca 0.04 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1rj9 h ALA 182 Cb 0.67 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1rj9 h ALA 182 CO 0.04 0.39 -0.30 0.54 0.00 0.00 0.00 179.25 179.92 1rj9 n ARG 183 N -4.41 0.84 -2.21 0.00 1.74 -0.39 -4.97 116.66 107.27 1rj9 n ARG 183 Ca 0.04 -0.52 -0.07 0.00 -0.77 0.00 0.00 57.85 56.53 1rj9 n ARG 183 Cb 0.10 -1.49 -0.00 0.00 -1.02 0.00 0.00 32.46 30.05 1rj9 n ARG 183 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1rj9 n GLY 184 N 1.36 0.11 3.81 -0.13 0.00 -0.77 -5.02 105.19 104.54 1rj9 n GLY 184 Ca 0.12 -0.56 -0.33 0.00 0.00 0.00 0.00 46.02 45.24 1rj9 n GLY 184 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1rj9 s TYR 185 N -2.43 3.08 -0.02 1.61 2.02 -0.72 -4.97 117.35 115.92 1rj9 s TYR 185 Ca 0.02 1.56 -0.12 0.00 -0.37 0.00 0.00 57.07 58.16 1rj9 s TYR 185 Cb -0.01 -3.00 -0.32 0.00 -0.40 0.00 0.00 41.96 38.23 1rj9 s TYR 185 CO 0.02 -0.73 0.79 -0.44 -1.57 0.00 0.00 175.55 173.62 1rj9 h ASP 186 N 1.38 0.67 -4.42 2.29 5.19 -1.29 -3.46 116.42 116.78 1rj9 h ASP 186 Ca -0.49 -0.90 -0.25 0.00 -0.62 0.00 0.00 57.03 54.77 1rj9 h ASP 186 Cb 1.21 -0.22 -0.24 0.00 0.18 0.00 0.00 39.33 40.26 1rj9 h ASP 186 CO 0.59 1.74 -0.73 -0.76 -3.12 0.00 0.00 179.24 176.96 1rj9 s LEU 187 N -7.36 2.14 -0.08 1.55 1.43 -0.88 -4.47 118.68 111.01 1rj9 s LEU 187 Ca -0.13 -0.32 0.00 0.00 -1.03 0.00 0.00 54.13 52.64 1rj9 s LEU 187 Cb 0.05 -0.09 0.02 0.00 0.03 0.00 0.00 46.19 46.20 1rj9 s LEU 187 CO 0.88 -0.12 -0.05 -0.22 0.23 0.00 0.00 176.35 177.07 1rj9 s LEU 188 N -0.90 1.12 -0.24 1.79 2.96 0.67 -1.32 118.68 122.75 1rj9 s LEU 188 Ca -0.07 -0.20 -0.07 0.00 -0.22 0.00 0.00 54.13 53.58 1rj9 s LEU 188 Cb -0.06 -0.63 -0.03 0.00 0.50 0.00 0.00 46.19 45.97 1rj9 s LEU 188 CO -0.00 -0.10 0.06 -0.36 -1.32 0.00 0.00 176.35 174.62 1rj9 s PHE 189 N 1.44 3.08 -0.37 5.38 0.08 -0.77 -1.06 117.98 125.76 1rj9 s PHE 189 Ca -0.02 -0.46 -0.15 0.00 0.12 0.00 0.00 56.93 56.43 1rj9 s PHE 189 Cb -0.13 -2.22 0.00 0.00 -0.57 0.00 0.00 43.02 40.09 1rj9 s PHE 189 CO -0.04 -0.37 0.32 0.08 -0.10 0.00 0.00 175.22 175.11 1rj9 s VAL 190 N 1.57 5.22 0.47 -0.44 1.01 0.35 -1.24 120.40 127.33 1rj9 s VAL 190 Ca 0.06 -0.29 -0.17 0.00 0.00 0.00 0.00 61.98 61.58 1rj9 s VAL 190 Cb -0.15 -3.85 -0.09 0.00 0.00 0.00 0.00 36.38 32.29 1rj9 s VAL 190 CO 0.03 -0.18 0.94 -0.62 0.00 0.00 0.00 175.10 175.27 1rj9 s ASP 191 N 1.73 6.71 0.08 3.32 3.68 -0.57 -1.24 116.67 130.37 1rj9 s ASP 191 Ca 0.08 1.54 0.03 0.00 2.13 0.00 0.00 52.55 56.32 1rj9 s ASP 191 Cb -0.18 -2.49 -0.03 0.00 -1.45 0.00 0.00 42.92 38.77 1rj9 s ASP 191 CO 0.11 -0.48 -0.08 0.42 0.13 0.00 0.00 175.17 175.27 1rj9 s THR 192 N -2.43 0.71 0.67 1.71 -4.23 -1.23 -2.41 115.64 108.43 1rj9 s THR 192 Ca 0.59 -1.51 -0.16 0.00 -1.18 0.00 0.00 61.69 59.43 1rj9 s THR 192 Cb -0.10 -1.17 0.00 0.00 1.34 0.00 0.00 72.50 72.58 1rj9 s THR 192 CO 0.25 -0.58 1.14 0.00 -0.54 0.00 0.00 174.62 174.89 1rj9 s ALA 193 N -2.38 2.39 0.53 3.99 0.00 -1.26 -4.57 121.76 120.45 1rj9 s ALA 193 Ca 0.01 0.69 -0.20 0.00 0.00 0.00 0.00 51.96 52.47 1rj9 s ALA 193 Cb -0.03 -3.37 -0.06 0.00 0.00 0.00 0.00 23.12 19.65 1rj9 s ALA 193 CO -0.01 -1.40 1.12 0.20 0.00 0.00 0.00 175.76 175.67 1rj9 s GLY 194 N -2.30 2.64 -0.18 0.00 0.00 -1.26 -4.81 107.32 101.41 1rj9 s GLY 194 Ca 0.70 0.81 -0.23 0.00 0.00 0.00 0.00 44.72 46.00 1rj9 s GLY 194 CO 0.41 1.17 0.62 1.09 0.00 0.00 0.00 173.10 176.39 1rj9 s ARG 195 N -3.23 0.80 0.27 2.90 1.70 -1.19 -4.66 118.95 115.54 1rj9 s ARG 195 Ca 0.71 0.67 -0.28 0.00 -0.47 0.00 0.00 55.73 56.37 1rj9 s ARG 195 Cb -0.23 0.38 -0.09 0.00 -0.57 0.00 0.00 34.95 34.44 1rj9 s ARG 195 CO 0.27 -0.14 0.92 -0.51 -1.08 0.00 0.00 175.30 174.76 1rj9 s LEU 196 N -0.10 4.51 0.04 -1.89 1.43 -1.26 -3.82 118.68 117.59 1rj9 s LEU 196 Ca -0.03 1.86 0.10 0.00 -1.03 0.00 0.00 54.13 55.03 1rj9 s LEU 196 Cb -0.04 -3.75 0.44 0.00 0.03 0.00 0.00 46.19 42.88 1rj9 s LEU 196 CO 0.03 0.07 1.32 0.00 0.23 0.00 0.00 176.35 177.99 1rj9 n HIS 197 N 1.10 0.10 1.25 0.29 1.44 -1.26 -2.45 115.22 115.69 1rj9 n HIS 197 Ca -0.01 0.05 0.11 0.00 -2.01 0.00 0.00 57.72 55.86 1rj9 n HIS 197 Cb 0.48 -0.57 0.39 0.00 0.12 0.00 0.00 29.99 30.42 1rj9 n HIS 197 CO 0.00 0.00 0.00 0.25 -2.81 0.00 0.00 176.34 173.78 1rj9 n THR 198 N -1.60 0.18 -3.59 0.61 -2.24 -1.26 -4.72 114.28 101.66 1rj9 n THR 198 Ca 0.02 -0.34 -0.40 0.00 -2.27 0.00 0.00 64.05 61.06 1rj9 n THR 198 Cb 0.10 0.41 -0.09 0.00 -2.10 0.00 0.00 70.33 68.65 1rj9 n THR 198 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1rj9 s LYS 199 N -1.82 2.44 0.32 -0.78 1.02 -1.03 -4.96 119.74 114.94 1rj9 s LYS 199 Ca 0.33 -1.84 0.08 0.00 0.02 0.00 0.00 55.97 54.56 1rj9 s LYS 199 Cb 0.18 -3.88 0.79 0.00 -0.52 0.00 0.00 37.83 34.40 1rj9 s LYS 199 CO 0.27 -1.18 1.79 1.25 -0.92 0.00 0.00 175.35 176.57 1rj9 h HIS 200 N 8.30 0.98 -0.52 3.18 -0.00 -1.89 -1.67 115.15 123.54 1rj9 h HIS 200 Ca -0.18 0.03 -0.10 0.00 -0.00 0.00 0.00 60.37 60.12 1rj9 h HIS 200 Cb 1.06 -0.30 -0.02 0.00 -0.00 0.00 0.00 27.41 28.16 1rj9 h HIS 200 CO 0.64 0.24 -0.06 -2.95 -0.00 0.00 0.00 177.93 175.80 1rj9 h ASN 201 N 0.72 0.95 0.77 3.26 -1.07 -1.98 -0.76 115.58 117.47 1rj9 h ASN 201 Ca 0.56 -0.33 -0.12 0.00 0.07 0.00 0.00 56.30 56.47 1rj9 h ASN 201 Cb 0.93 -0.26 -0.02 0.00 -2.07 0.00 0.00 38.32 36.90 1rj9 h ASN 201 CO -0.34 1.06 -0.55 -0.07 0.07 0.00 0.00 177.43 177.60 1rj9 h LEU 202 N 0.82 0.00 -0.45 6.14 3.38 -1.78 -1.90 115.31 121.51 1rj9 h LEU 202 Ca 0.14 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.94 1rj9 h LEU 202 Cb 0.61 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.34 1rj9 h LEU 202 CO 0.04 0.55 -0.76 0.24 0.09 0.00 0.00 178.44 178.60 1rj9 h MET 203 N 0.00 0.16 -0.45 1.13 2.86 -1.11 -2.52 114.93 114.99 1rj9 h MET 203 Ca -0.01 -0.15 -0.14 0.00 -2.06 0.00 0.00 59.70 57.35 1rj9 h MET 203 Cb 1.09 0.04 -0.01 0.00 0.06 0.00 0.00 31.60 32.77 1rj9 h MET 203 CO 0.07 0.85 -0.27 1.49 1.06 0.00 0.00 176.91 180.11 1rj9 h GLU 204 N 0.10 0.97 -0.93 1.72 4.57 -0.90 -2.47 114.58 117.65 1rj9 h GLU 204 Ca -0.02 -0.45 0.05 0.00 -1.18 0.00 0.00 59.36 57.76 1rj9 h GLU 204 Cb 1.34 -0.02 -0.06 0.00 -0.16 0.00 0.00 28.75 29.86 1rj9 h GLU 204 CO 0.11 1.12 0.60 1.49 -1.18 0.00 0.00 179.01 181.15 1rj9 h GLU 205 N 0.82 1.08 -0.65 1.92 4.81 -1.18 -0.23 114.58 121.14 1rj9 h GLU 205 Ca 0.09 -0.06 -0.02 0.00 -0.13 0.00 0.00 59.36 59.24 1rj9 h GLU 205 Cb 0.85 -0.24 -0.03 0.00 0.63 0.00 0.00 28.75 29.96 1rj9 h GLU 205 CO 0.08 0.71 0.34 1.25 -0.73 0.00 0.00 179.01 180.66 1rj9 h LEU 206 N 1.11 0.82 -1.30 1.64 5.85 -1.10 -0.91 115.31 121.42 1rj9 h LEU 206 Ca 0.38 -0.11 -0.06 0.00 0.84 0.00 0.00 57.88 58.94 1rj9 h LEU 206 Cb 0.10 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 40.91 1rj9 h LEU 206 CO -0.13 0.69 -0.19 0.11 -0.34 0.00 0.00 178.44 178.58 1rj9 h LYS 207 N 0.89 0.24 -0.44 1.25 1.57 -0.74 -1.86 116.57 117.49 1rj9 h LYS 207 Ca 0.23 -0.07 -0.12 0.00 -1.87 0.00 0.00 60.65 58.82 1rj9 h LYS 207 Cb 0.06 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.33 1rj9 h LYS 207 CO -0.03 0.43 -0.22 -0.22 -0.57 0.00 0.00 179.45 178.83 1rj9 h LYS 208 N 0.22 0.89 -0.54 3.15 3.64 -0.28 -1.16 116.57 122.48 1rj9 h LYS 208 Ca 0.04 -0.37 -0.03 0.00 -1.27 0.00 0.00 60.65 59.03 1rj9 h LYS 208 Cb 0.47 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.23 1rj9 h LYS 208 CO 0.03 1.01 0.24 0.28 -2.27 0.00 0.00 179.45 178.74 1rj9 h VAL 209 N 0.77 1.21 -0.68 2.00 2.07 -0.61 -0.16 116.25 120.85 1rj9 h VAL 209 Ca 0.10 -0.63 -0.06 0.00 0.82 0.00 0.00 66.70 66.94 1rj9 h VAL 209 Cb 0.76 0.62 -0.03 0.00 -1.52 0.00 0.00 31.29 31.12 1rj9 h VAL 209 CO 0.06 0.24 0.20 0.50 0.02 0.00 0.00 177.57 178.59 1rj9 h LYS 210 N 0.73 1.04 -0.23 1.57 3.64 -1.11 -2.02 116.57 120.19 1rj9 h LYS 210 Ca 0.18 -0.22 -0.09 0.00 -1.27 0.00 0.00 60.65 59.25 1rj9 h LYS 210 Cb 0.16 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 31.81 1rj9 h LYS 210 CO -0.02 0.90 -0.26 -0.09 -2.27 0.00 0.00 179.45 177.71 1rj9 h ARG 211 N 1.00 0.44 -0.53 1.90 2.43 -0.77 -2.22 114.38 116.64 1rj9 h ARG 211 Ca 0.22 -0.17 -0.11 0.00 -0.81 0.00 0.00 59.98 59.11 1rj9 h ARG 211 Cb 0.30 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.81 1rj9 h ARG 211 CO -0.01 0.67 -0.12 0.00 -1.51 0.00 0.00 179.97 179.01 1rj9 h ALA 212 N 1.33 0.79 -0.25 2.80 0.00 -0.59 -1.36 119.26 121.98 1rj9 h ALA 212 Ca 0.06 -0.35 -0.00 0.00 0.00 0.00 0.00 54.91 54.61 1rj9 h ALA 212 Cb 0.67 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 1rj9 h ALA 212 CO 0.05 0.67 0.16 0.82 0.00 0.00 0.00 179.25 180.94 1rj9 h ILE 213 N 0.89 1.09 0.00 0.00 2.04 -1.11 -2.03 117.51 118.39 1rj9 h ILE 213 Ca 0.14 -0.21 -0.03 0.00 1.00 0.00 0.00 64.86 65.76 1rj9 h ILE 213 Cb 0.68 0.77 -0.00 0.00 -0.74 0.00 0.00 36.82 37.53 1rj9 h ILE 213 CO 0.05 0.09 -0.13 0.00 0.00 0.00 0.00 178.15 178.16 1rj9 h ALA 214 N 1.06 1.26 -0.29 1.87 0.00 -1.21 -1.53 119.26 120.42 1rj9 h ALA 214 Ca 0.09 -0.11 -0.14 0.00 0.00 0.00 0.00 54.91 54.74 1rj9 h ALA 214 Cb 0.01 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1rj9 h ALA 214 CO -0.02 0.16 -0.40 -0.22 0.00 0.00 0.00 179.25 178.77 1rj9 h LYS 215 N 0.00 0.70 0.00 0.00 1.63 -0.53 -1.08 116.57 117.30 1rj9 h LYS 215 Ca -0.00 -0.36 -0.05 0.00 -0.85 0.00 0.00 60.65 59.38 1rj9 h LYS 215 Cb 0.37 0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 32.00 1rj9 h LYS 215 CO 0.02 0.98 -0.36 0.00 -3.45 0.00 0.00 179.45 176.64 1rj9 h ALA 216 N 0.98 0.81 -1.06 5.00 0.00 -1.03 -3.42 119.26 120.54 1rj9 h ALA 216 Ca 0.05 -0.24 0.01 0.00 0.00 0.00 0.00 54.91 54.73 1rj9 h ALA 216 Cb 0.93 -0.02 -0.22 0.00 0.00 0.00 0.00 17.79 18.49 1rj9 h ALA 216 CO 0.08 0.32 -0.39 0.34 0.00 0.00 0.00 179.25 179.60 1rj9 s ASP 217 N -6.24 -1.48 0.57 0.00 3.68 -0.64 -4.85 116.67 107.72 1rj9 s ASP 217 Ca 0.05 0.15 0.35 0.00 2.13 0.00 0.00 52.55 55.23 1rj9 s ASP 217 Cb 0.07 1.97 1.44 0.00 -1.45 0.00 0.00 42.92 44.94 1rj9 s ASP 217 CO 0.72 -0.30 1.68 -0.65 0.13 0.00 0.00 175.17 176.74 1rj9 h PRO 218 N 8.01 0.00 -0.41 4.34 0.11 -1.46 0.07 132.00 142.67 1rj9 h PRO 218 Ca -0.02 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.09 1rj9 h PRO 218 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1rj9 h PRO 218 CO 0.16 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.34 1rj9 n GLU 219 N -3.84 2.09 -4.47 1.05 1.02 -1.26 -4.93 120.64 110.31 1rj9 n GLU 219 Ca 0.25 -1.68 -0.24 0.00 -0.02 0.00 0.00 57.16 55.46 1rj9 n GLU 219 Cb 1.32 -1.40 -0.10 0.00 -0.02 0.00 0.00 31.44 31.24 1rj9 n GLU 219 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 1rj9 s GLU 220 N -1.46 1.71 0.02 3.49 0.41 0.01 -4.17 118.70 118.71 1rj9 s GLU 220 Ca 0.33 -1.76 -0.20 0.00 -0.41 0.00 0.00 54.97 52.93 1rj9 s GLU 220 Cb 0.18 -1.78 -0.06 0.00 -1.78 0.00 0.00 34.13 30.69 1rj9 s GLU 220 CO 0.24 0.32 0.59 -1.25 -0.49 0.00 0.00 175.26 174.68 1rj9 s PRO 221 N -3.52 4.28 0.48 0.39 0.04 -1.26 -3.42 135.00 131.99 1rj9 s PRO 221 Ca 0.30 0.74 0.27 0.00 0.04 0.00 0.00 61.00 62.35 1rj9 s PRO 221 Cb -0.05 -3.31 0.76 0.00 0.04 0.00 0.00 34.50 31.95 1rj9 s PRO 221 CO 0.15 0.46 1.76 0.87 0.04 0.00 0.00 177.00 180.28 1rj9 h LYS 222 N 5.26 0.00 -4.94 4.56 1.79 -1.71 -3.44 116.57 118.09 1rj9 h LYS 222 Ca -0.47 0.00 -0.50 0.00 -2.18 0.00 0.00 60.65 57.51 1rj9 h LYS 222 Cb 1.21 0.00 -0.31 0.00 -1.58 0.00 0.00 32.23 31.54 1rj9 h LYS 222 CO 0.68 0.03 -0.81 -1.21 -1.08 0.00 0.00 179.45 177.06 1rj9 s GLU 223 N -3.40 1.39 -0.23 3.15 0.41 -1.15 -4.74 118.70 114.13 1rj9 s GLU 223 Ca 0.04 -0.46 -0.02 0.00 -0.41 0.00 0.00 54.97 54.13 1rj9 s GLU 223 Cb 0.07 -1.24 0.07 0.00 -1.78 0.00 0.00 34.13 31.25 1rj9 s GLU 223 CO 0.62 0.17 0.04 0.08 -0.49 0.00 0.00 175.26 175.69 1rj9 s VAL 224 N 0.14 0.72 -0.16 2.63 1.01 -1.26 -1.23 120.40 122.26 1rj9 s VAL 224 Ca -0.04 -0.85 -0.03 0.00 0.00 0.00 0.00 61.98 61.06 1rj9 s VAL 224 Cb -0.10 -1.28 -0.02 0.00 0.00 0.00 0.00 36.38 34.97 1rj9 s VAL 224 CO 0.01 -0.32 -0.05 0.26 0.00 0.00 0.00 175.10 175.00 1rj9 s TRP 225 N 1.75 2.98 0.14 5.22 0.51 0.16 -0.87 118.94 128.82 1rj9 s TRP 225 Ca 0.01 -0.40 -0.19 0.00 -2.12 0.00 0.00 56.10 53.41 1rj9 s TRP 225 Cb -0.17 -1.95 -0.07 0.00 -0.81 0.00 0.00 33.47 30.46 1rj9 s TRP 225 CO -0.13 -0.10 0.62 -1.17 -0.51 0.00 0.00 176.95 175.67 1rj9 s LEU 226 N 0.45 4.44 -0.15 2.99 2.96 -0.43 -1.29 118.68 127.65 1rj9 s LEU 226 Ca -0.05 1.29 -0.03 0.00 -0.22 0.00 0.00 54.13 55.13 1rj9 s LEU 226 Cb -0.15 -3.19 -0.02 0.00 0.50 0.00 0.00 46.19 43.33 1rj9 s LEU 226 CO 0.03 0.17 -0.07 -0.69 -1.32 0.00 0.00 176.35 174.48 1rj9 s VAL 227 N -1.30 3.61 -0.02 1.68 1.01 -0.31 -0.56 120.40 124.52 1rj9 s VAL 227 Ca 0.35 -0.46 0.06 0.00 0.00 0.00 0.00 61.98 61.93 1rj9 s VAL 227 Cb -0.18 -2.57 -0.01 0.00 0.00 0.00 0.00 36.38 33.62 1rj9 s VAL 227 CO 0.20 0.50 -0.19 -0.76 0.00 0.00 0.00 175.10 174.85 1rj9 s LEU 228 N 0.41 2.03 -0.20 3.92 1.43 -0.10 -4.56 118.68 121.61 1rj9 s LEU 228 Ca -0.06 -0.35 -0.24 0.00 -1.03 0.00 0.00 54.13 52.45 1rj9 s LEU 228 Cb -0.15 -1.00 -0.01 0.00 0.03 0.00 0.00 46.19 45.06 1rj9 s LEU 228 CO 0.04 0.23 0.78 -0.62 0.23 0.00 0.00 176.35 177.01 1rj9 s ASP 229 N -0.43 6.84 0.55 2.29 3.68 -1.26 -0.72 116.67 127.63 1rj9 s ASP 229 Ca 0.07 1.04 0.31 0.00 2.13 0.00 0.00 52.55 56.10 1rj9 s ASP 229 Cb -0.08 -2.42 1.47 0.00 -1.45 0.00 0.00 42.92 40.44 1rj9 s ASP 229 CO -0.01 -0.41 1.86 0.00 0.13 0.00 0.00 175.17 176.74 1rj9 h ALA 230 N 7.51 2.70 0.00 3.66 0.00 -1.50 -0.01 119.26 131.62 1rj9 h ALA 230 Ca -0.27 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.61 1rj9 h ALA 230 Cb 1.12 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1rj9 h ALA 230 CO 0.83 -1.06 0.00 1.55 0.00 0.00 0.00 179.25 180.57 1rj9 n VAL 231 N -4.07 0.37 -1.96 0.00 3.14 -1.26 -3.41 118.33 111.14 1rj9 n VAL 231 Ca 0.17 0.07 -0.41 0.00 -2.96 0.00 0.00 64.34 61.21 1rj9 n VAL 231 Cb 0.94 -0.68 -0.02 0.00 -1.06 0.00 0.00 33.84 33.02 1rj9 n VAL 231 CO 0.00 0.00 0.00 -0.89 -6.46 0.00 0.00 176.83 169.48 1rj9 s THR 232 N -3.01 2.45 0.00 1.55 2.01 -0.02 -5.03 115.64 113.58 1rj9 s THR 232 Ca 0.11 0.42 0.00 0.00 0.31 0.00 0.00 61.69 62.53 1rj9 s THR 232 Cb 0.15 -3.27 0.00 0.00 0.01 0.00 0.00 72.50 69.40 1rj9 s THR 232 CO 0.44 0.09 0.00 0.61 -0.69 0.00 0.00 174.62 175.07 1rj9 n GLY 233 N 1.29 1.23 0.25 4.40 0.00 -1.26 -4.74 105.19 106.36 1rj9 n GLY 233 Ca 0.03 -1.57 0.17 0.00 0.00 0.00 0.00 46.02 44.65 1rj9 n GLY 233 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1rj9 h GLN 234 N 0.00 0.00 0.00 1.61 1.08 -1.96 -1.58 115.11 114.26 1rj9 h GLN 234 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1rj9 h GLN 234 Cb 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.43 1rj9 h GLN 234 CO 0.00 0.00 0.00 -0.97 -0.95 0.00 0.00 178.83 176.91 1rj9 h ASN 235 N 0.00 0.00 -0.32 1.46 -0.73 -2.00 -2.42 115.58 111.57 1rj9 h ASN 235 Ca 0.00 0.00 -0.01 0.00 1.87 0.00 0.00 56.30 58.16 1rj9 h ASN 235 Cb 0.03 0.00 -0.02 0.00 0.27 0.00 0.00 38.32 38.60 1rj9 h ASN 235 CO 0.00 0.00 0.19 1.23 -0.37 0.00 0.00 177.43 178.48 1rj9 h GLY 236 N 1.47 0.50 1.13 1.57 0.00 -1.59 -1.18 103.07 104.98 1rj9 h GLY 236 Ca 0.00 -0.21 -0.12 0.00 0.00 0.00 0.00 47.33 47.00 1rj9 h GLY 236 CO 0.00 0.20 -0.15 -2.00 0.00 0.00 0.00 176.54 174.59 1rj9 h LEU 237 N 0.48 1.01 -0.52 3.11 5.85 -1.66 -1.61 115.31 121.97 1rj9 h LEU 237 Ca 0.12 -0.35 -0.09 0.00 0.84 0.00 0.00 57.88 58.41 1rj9 h LEU 237 Cb 0.02 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 40.75 1rj9 h LEU 237 CO -0.02 1.15 -0.01 -0.08 -0.34 0.00 0.00 178.44 179.13 1rj9 h GLU 238 N 0.88 0.92 0.14 1.25 4.57 -1.48 -1.14 114.58 119.72 1rj9 h GLU 238 Ca 0.13 -0.30 0.01 0.00 -1.18 0.00 0.00 59.36 58.01 1rj9 h GLU 238 Cb 0.72 -0.08 -0.02 0.00 -0.16 0.00 0.00 28.75 29.21 1rj9 h GLU 238 CO 0.06 0.95 -0.15 1.96 -1.18 0.00 0.00 179.01 180.64 1rj9 h GLN 239 N 0.79 -0.32 -0.58 1.92 4.20 -1.08 -0.74 115.11 119.30 1rj9 h GLN 239 Ca 0.14 0.02 0.05 0.00 0.06 0.00 0.00 58.65 58.93 1rj9 h GLN 239 Cb 0.54 0.07 -0.05 0.00 0.30 0.00 0.00 27.48 28.35 1rj9 h GLN 239 CO 0.03 -0.21 0.30 0.00 -0.67 0.00 0.00 178.83 178.28 1rj9 h ALA 240 N 0.49 0.76 -0.22 3.87 0.00 -1.15 -1.05 119.26 121.96 1rj9 h ALA 240 Ca 0.01 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 1rj9 h ALA 240 Cb 0.32 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1rj9 h ALA 240 CO -0.05 -0.03 0.13 0.87 0.00 0.00 0.00 179.25 180.17 1rj9 h LYS 241 N 0.58 0.31 -0.47 0.00 1.57 -0.90 -0.98 116.57 116.67 1rj9 h LYS 241 Ca 0.26 -0.03 -0.07 0.00 -1.87 0.00 0.00 60.65 58.94 1rj9 h LYS 241 Cb 0.17 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.40 1rj9 h LYS 241 CO -0.17 0.26 0.01 0.87 -0.57 0.00 0.00 179.45 179.84 1rj9 h LYS 242 N 0.27 0.83 -0.22 3.15 1.79 -0.83 -0.75 116.57 120.82 1rj9 h LYS 242 Ca 0.08 -0.26 -0.14 0.00 -2.18 0.00 0.00 60.65 58.15 1rj9 h LYS 242 Cb 0.03 -0.08 -0.01 0.00 -1.58 0.00 0.00 32.23 30.60 1rj9 h LYS 242 CO -0.01 0.88 -0.44 0.74 -1.08 0.00 0.00 179.45 179.53 1rj9 h PHE 243 N 0.69 0.67 -0.58 -1.35 -1.00 -1.18 -1.35 116.94 112.83 1rj9 h PHE 243 Ca 0.14 -0.20 -0.06 0.00 2.81 0.00 0.00 57.97 60.65 1rj9 h PHE 243 Cb 0.50 -0.14 -0.02 0.00 3.61 0.00 0.00 35.95 39.89 1rj9 h PHE 243 CO 0.04 0.90 0.13 1.25 -1.61 0.00 0.00 178.31 179.02 1rj9 h HIS 244 N 0.45 0.99 -0.12 -0.55 2.76 -1.03 0.64 115.15 118.29 1rj9 h HIS 244 Ca 0.03 -0.12 -0.09 0.00 -2.20 0.00 0.00 60.37 57.99 1rj9 h HIS 244 Cb 0.95 -0.28 -0.01 0.00 1.55 0.00 0.00 27.41 29.62 1rj9 h HIS 244 CO 0.04 0.85 -0.32 1.49 -1.30 0.00 0.00 177.93 178.69 1rj9 h GLU 245 N 0.85 0.23 0.13 5.26 4.81 -0.98 0.24 114.58 125.12 1rj9 h GLU 245 Ca 0.18 -0.09 -0.18 0.00 -0.13 0.00 0.00 59.36 59.15 1rj9 h GLU 245 Cb 0.37 -0.01 0.02 0.00 0.63 0.00 0.00 28.75 29.75 1rj9 h GLU 245 CO 0.00 0.53 -0.78 0.00 -0.73 0.00 0.00 179.01 178.04 1rj9 h ALA 246 N 1.47 -0.09 0.00 2.92 0.00 -0.82 -3.42 119.26 119.32 1rj9 h ALA 246 Ca 0.03 -0.69 0.00 0.00 0.00 0.00 0.00 54.91 54.25 1rj9 h ALA 246 Cb 0.67 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.55 1rj9 h ALA 246 CO 0.05 0.36 0.00 1.33 0.00 0.00 0.00 179.25 180.99 1rj9 n VAL 247 N -4.15 0.20 -2.47 0.00 0.24 0.18 -4.79 118.33 107.54 1rj9 n VAL 247 Ca -0.14 -0.36 -0.03 0.00 -2.04 0.00 0.00 64.34 61.77 1rj9 n VAL 247 Cb 0.81 1.20 0.00 0.00 -1.47 0.00 0.00 33.84 34.38 1rj9 n VAL 247 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1rj9 n GLY 248 N -0.10 -2.50 3.77 7.63 0.00 0.07 -4.97 105.19 109.09 1rj9 n GLY 248 Ca 0.00 0.62 -0.38 0.00 0.00 0.00 0.00 46.02 46.27 1rj9 n GLY 248 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1rj9 s LEU 249 N -1.74 4.08 0.00 0.99 1.43 -1.26 -4.64 118.68 117.53 1rj9 s LEU 249 Ca 0.10 2.34 0.00 0.00 -1.03 0.00 0.00 54.13 55.54 1rj9 s LEU 249 Cb -0.03 -4.15 0.00 0.00 0.03 0.00 0.00 46.19 42.04 1rj9 s LEU 249 CO 0.59 -0.84 0.44 0.35 0.23 0.00 0.00 176.35 177.12 1rj9 n THR 250 N -0.28 0.00 -3.61 5.49 -2.24 -0.05 -4.95 114.28 108.64 1rj9 n THR 250 Ca 0.06 -0.50 -0.00 0.00 -2.27 0.00 0.00 64.05 61.34 1rj9 n THR 250 Cb 0.47 1.00 -0.01 0.00 -2.10 0.00 0.00 70.33 69.69 1rj9 n THR 250 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1rj9 s GLY 251 N -0.12 -0.32 0.02 3.38 0.00 -1.18 -4.44 107.32 104.65 1rj9 s GLY 251 Ca 0.00 1.48 0.01 0.00 0.00 0.00 0.00 44.72 46.21 1rj9 s GLY 251 CO 0.00 0.44 -0.05 0.54 0.00 0.00 0.00 173.10 174.03 1rj9 s VAL 252 N -2.12 0.33 -0.08 1.40 0.11 -0.10 -1.31 120.40 118.63 1rj9 s VAL 252 Ca 0.13 -0.57 0.04 0.00 -2.93 0.00 0.00 61.98 58.65 1rj9 s VAL 252 Cb 0.02 -0.36 -0.00 0.00 -1.53 0.00 0.00 36.38 34.51 1rj9 s VAL 252 CO -0.04 -0.16 -0.22 -0.63 -3.33 0.00 0.00 175.10 170.72 1rj9 s ILE 253 N -0.72 1.84 -0.22 7.04 1.01 0.28 -0.35 121.20 130.09 1rj9 s ILE 253 Ca -0.05 -0.91 -0.06 0.00 0.00 0.00 0.00 60.65 59.63 1rj9 s ILE 253 Cb -0.05 -1.59 -0.03 0.00 0.01 0.00 0.00 42.46 40.80 1rj9 s ILE 253 CO -0.00 0.51 0.02 -0.69 0.00 0.00 0.00 174.94 174.78 1rj9 s VAL 254 N 0.26 4.08 0.44 2.92 1.01 -1.04 -0.92 120.40 127.15 1rj9 s VAL 254 Ca -0.14 -0.26 0.08 0.00 0.00 0.00 0.00 61.98 61.66 1rj9 s VAL 254 Cb -0.16 -2.87 0.01 0.00 0.00 0.00 0.00 36.38 33.36 1rj9 s VAL 254 CO 0.06 0.40 0.51 0.42 0.00 0.00 0.00 175.10 176.50 1rj9 s THR 255 N 1.18 2.76 -1.75 3.92 -4.23 0.10 0.50 115.64 118.13 1rj9 s THR 255 Ca 0.03 -1.14 -0.00 0.00 -1.18 0.00 0.00 61.69 59.40 1rj9 s THR 255 Cb -0.14 -2.90 0.00 0.00 1.34 0.00 0.00 72.50 70.79 1rj9 s THR 255 CO 0.02 0.00 0.01 0.29 -0.54 0.00 0.00 174.62 174.40 1rj9 n LYS 256 N -1.77 -1.76 0.00 3.99 5.02 -1.03 -1.34 118.16 121.27 1rj9 n LYS 256 Ca 0.07 0.99 0.13 0.00 -2.02 0.00 0.00 58.31 57.48 1rj9 n LYS 256 Cb 0.60 -5.66 0.77 0.00 -0.02 0.00 0.00 35.03 30.72 1rj9 n LYS 256 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1rj9 n LEU 257 N -3.02 0.00 0.00 -0.35 4.77 -0.54 -2.19 117.00 115.67 1rj9 n LEU 257 Ca -0.24 0.06 0.14 0.00 -0.03 0.00 0.00 56.01 55.94 1rj9 n LEU 257 Cb 0.68 -0.06 0.62 0.00 -2.33 0.00 0.00 43.42 42.33 1rj9 n LEU 257 CO 0.28 -0.01 0.95 -0.90 -1.33 0.00 0.00 177.39 176.39 1rj9 n ASP 258 N -1.06 0.00 -1.92 -1.43 3.85 -1.26 -4.80 116.55 109.93 1rj9 n ASP 258 Ca 0.18 0.42 0.00 0.00 -0.71 0.00 0.00 54.79 54.68 1rj9 n ASP 258 Cb 0.12 -0.47 0.00 0.00 -1.35 0.00 0.00 41.12 39.42 1rj9 n ASP 258 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1rj9 n GLY 259 N 1.37 0.22 0.09 6.12 0.00 -0.93 -5.01 105.19 107.05 1rj9 n GLY 259 Ca 0.08 -1.84 0.12 0.00 0.00 0.00 0.00 46.02 44.38 1rj9 n GLY 259 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1rj9 h THR 260 N -0.39 0.00 -3.81 2.61 1.35 -1.87 -3.46 112.91 107.35 1rj9 h THR 260 Ca 0.00 -0.51 -0.51 0.00 -0.55 0.00 0.00 66.41 64.84 1rj9 h THR 260 Cb 0.00 1.29 0.04 0.00 -1.73 0.00 0.00 68.15 67.75 1rj9 h THR 260 CO 0.00 0.00 0.55 0.00 -0.25 0.00 0.00 175.52 175.82 1rj9 s ALA 261 N -3.14 3.45 -0.57 6.62 0.00 -1.26 -4.95 121.76 121.90 1rj9 s ALA 261 Ca 0.08 1.06 0.24 0.00 0.00 0.00 0.00 51.96 53.33 1rj9 s ALA 261 Cb 0.13 -3.40 0.20 0.00 0.00 0.00 0.00 23.12 20.05 1rj9 s ALA 261 CO 0.66 -0.38 1.18 1.63 0.00 0.00 0.00 175.76 178.86 1rj9 n LYS 262 N 1.13 0.34 -2.13 0.00 4.76 -1.26 -4.80 118.16 116.20 1rj9 n LYS 262 Ca -0.00 0.06 -0.06 0.00 -2.87 0.00 0.00 58.31 55.44 1rj9 n LYS 262 Cb 0.43 -1.67 -0.00 0.00 -1.84 0.00 0.00 35.03 31.95 1rj9 n LYS 262 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1rj9 n GLY 263 N 1.33 0.12 0.32 0.72 0.00 -1.22 -4.84 105.19 101.62 1rj9 n GLY 263 Ca 0.02 -0.63 0.19 0.00 0.00 0.00 0.00 46.02 45.61 1rj9 n GLY 263 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1rj9 h GLY 264 N -0.01 0.00 2.00 -0.02 0.00 -1.26 -2.39 103.07 101.39 1rj9 h GLY 264 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.18 1rj9 h GLY 264 CO 0.17 0.00 0.00 1.55 0.00 0.00 0.00 176.54 178.26 1rj9 n VAL 265 N -3.41 1.10 0.20 4.60 3.14 -0.90 -1.47 118.33 121.58 1rj9 n VAL 265 Ca -0.03 0.55 0.05 0.00 -2.96 0.00 0.00 64.34 61.96 1rj9 n VAL 265 Cb 0.09 -1.52 0.50 0.00 -1.06 0.00 0.00 33.84 31.86 1rj9 n VAL 265 CO 0.00 0.00 0.00 -0.07 -6.46 0.00 0.00 176.83 170.30 1rj9 h LEU 266 N 0.00 0.06 0.66 6.55 3.38 -1.74 -2.65 115.31 121.57 1rj9 h LEU 266 Ca 0.00 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 1rj9 h LEU 266 Cb 0.11 -0.01 0.01 0.00 0.09 0.00 0.00 40.66 40.85 1rj9 h LEU 266 CO 0.00 0.19 -0.32 0.40 0.09 0.00 0.00 178.44 178.80 1rj9 h ILE 267 N 0.06 0.34 -0.45 1.22 2.04 -1.50 0.11 117.51 119.34 1rj9 h ILE 267 Ca 0.01 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.85 1rj9 h ILE 267 Cb 0.26 0.34 -0.02 0.00 -0.74 0.00 0.00 36.82 36.66 1rj9 h ILE 267 CO 0.02 0.00 0.20 -0.65 0.00 0.00 0.00 178.15 177.71 1rj9 h PRO 268 N -0.89 0.63 0.36 2.37 0.11 -1.73 -1.20 132.00 131.65 1rj9 h PRO 268 Ca -0.09 -0.08 -0.02 0.00 0.11 0.00 0.00 66.00 65.93 1rj9 h PRO 268 Cb 0.69 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 31.68 1rj9 h PRO 268 CO 0.14 0.50 -0.17 0.82 -0.21 0.00 0.00 178.00 179.09 1rj9 h ILE 269 N 0.63 0.66 -0.16 4.15 2.04 -1.15 0.04 117.51 123.71 1rj9 h ILE 269 Ca 0.16 -0.23 -0.07 0.00 1.00 0.00 0.00 64.86 65.71 1rj9 h ILE 269 Cb 0.10 0.78 -0.01 0.00 -0.74 0.00 0.00 36.82 36.94 1rj9 h ILE 269 CO -0.02 0.05 -0.21 0.58 0.00 0.00 0.00 178.15 178.55 1rj9 h VAL 270 N -0.61 1.23 -0.17 1.67 2.07 -0.66 0.22 116.25 119.99 1rj9 h VAL 270 Ca -0.05 -1.04 -0.18 0.00 0.82 0.00 0.00 66.70 66.25 1rj9 h VAL 270 Cb 0.45 1.34 -0.00 0.00 -1.52 0.00 0.00 31.29 31.55 1rj9 h VAL 270 CO 0.08 0.32 -0.62 -0.09 0.02 0.00 0.00 177.57 177.28 1rj9 h ARG 271 N 0.26 0.59 0.09 1.57 1.12 -1.08 -1.04 114.38 115.88 1rj9 h ARG 271 Ca 0.04 -0.41 -0.33 0.00 -1.11 0.00 0.00 59.98 58.17 1rj9 h ARG 271 Cb 0.52 0.06 -0.02 0.00 -0.01 0.00 0.00 29.97 30.52 1rj9 h ARG 271 CO 0.04 1.03 -1.82 1.79 -3.11 0.00 0.00 179.97 177.89 1rj9 h THR 272 N 0.43 0.79 0.00 0.20 1.35 -0.74 -3.40 112.91 111.55 1rj9 h THR 272 Ca -0.01 -2.53 0.00 0.00 -0.55 0.00 0.00 66.41 63.32 1rj9 h THR 272 Cb 1.19 2.54 0.00 0.00 -1.73 0.00 0.00 68.15 70.15 1rj9 h THR 272 CO 0.12 0.77 -1.45 0.18 -0.25 0.00 0.00 175.52 174.88 1rj9 n LEU 273 N -3.36 0.30 -3.21 3.87 4.77 0.75 -5.01 117.00 115.11 1rj9 n LEU 273 Ca -0.25 -0.18 -0.23 0.00 -0.03 0.00 0.00 56.01 55.32 1rj9 n LEU 273 Cb 1.05 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 42.17 1rj9 n LEU 273 CO 0.45 0.08 0.03 0.29 -1.33 0.00 0.00 177.39 176.91 1rj9 n LYS 274 N -1.86 -5.08 -3.57 3.23 4.76 -0.39 -4.97 118.16 110.26 1rj9 n LYS 274 Ca -0.01 0.80 -0.36 0.00 -2.87 0.00 0.00 58.31 55.87 1rj9 n LYS 274 Cb 0.40 -5.67 -0.08 0.00 -1.84 0.00 0.00 35.03 27.84 1rj9 n LYS 274 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1rj9 s VAL 275 N -3.16 5.32 0.47 -0.18 1.01 -1.26 -4.80 120.40 117.79 1rj9 s VAL 275 Ca 0.38 0.43 -0.22 0.00 0.00 0.00 0.00 61.98 62.57 1rj9 s VAL 275 Cb -0.18 -3.59 -0.08 0.00 0.00 0.00 0.00 36.38 32.54 1rj9 s VAL 275 CO 0.47 0.37 1.11 -2.84 0.00 0.00 0.00 175.10 174.20 1rj9 s PRO 276 N 0.71 3.79 -0.24 2.72 0.02 -1.26 -4.66 135.00 136.07 1rj9 s PRO 276 Ca 0.13 1.60 -0.21 0.00 0.02 0.00 0.00 61.00 62.55 1rj9 s PRO 276 Cb -0.13 -2.30 -0.02 0.00 0.02 0.00 0.00 34.50 32.07 1rj9 s PRO 276 CO 0.03 -0.49 0.64 0.42 -0.33 0.00 0.00 177.00 177.27 1rj9 s ILE 277 N -1.70 4.98 -0.18 2.83 1.01 -1.26 -0.92 121.20 125.96 1rj9 s ILE 277 Ca 0.65 1.16 -0.22 0.00 0.00 0.00 0.00 60.65 62.23 1rj9 s ILE 277 Cb -0.24 -3.94 -0.21 0.00 0.01 0.00 0.00 42.46 38.08 1rj9 s ILE 277 CO 0.29 0.04 0.35 0.11 0.00 0.00 0.00 174.94 175.72 1rj9 h LYS 278 N 7.82 0.03 -4.21 2.79 1.79 -1.06 -3.43 116.57 120.30 1rj9 h LYS 278 Ca -0.27 -0.05 -0.16 0.00 -2.18 0.00 0.00 60.65 57.98 1rj9 h LYS 278 Cb 1.12 0.02 -0.13 0.00 -1.58 0.00 0.00 32.23 31.66 1rj9 h LYS 278 CO 0.78 1.02 -0.44 -0.06 -1.08 0.00 0.00 179.45 179.67 1rj9 s PHE 279 N -2.35 0.81 -0.02 -1.35 0.08 -1.25 -2.03 117.98 111.86 1rj9 s PHE 279 Ca -0.26 -1.10 0.05 0.00 0.12 0.00 0.00 56.93 55.74 1rj9 s PHE 279 Cb 0.04 -0.27 -0.01 0.00 -0.57 0.00 0.00 43.02 42.21 1rj9 s PHE 279 CO 0.63 -0.75 -0.16 0.14 -0.10 0.00 0.00 175.22 174.98 1rj9 s VAL 280 N -4.09 1.30 -0.15 -0.44 -7.23 -0.15 -2.48 120.40 107.17 1rj9 s VAL 280 Ca 0.30 -0.68 -0.12 0.00 -1.81 0.00 0.00 61.98 59.67 1rj9 s VAL 280 Cb 0.04 -1.10 -0.05 0.00 0.56 0.00 0.00 36.38 35.84 1rj9 s VAL 280 CO 0.09 0.37 0.26 -0.83 -0.31 0.00 0.00 175.10 174.68 1rj9 s GLY 281 N -0.21 2.20 -0.23 2.32 0.00 0.18 -1.77 107.32 109.81 1rj9 s GLY 281 Ca 0.02 -0.49 0.19 0.00 0.00 0.00 0.00 44.72 44.44 1rj9 s GLY 281 CO 0.00 0.25 1.14 3.33 0.00 0.00 0.00 173.10 177.83 1rj9 n VAL 282 N 3.19 1.43 -1.33 1.40 0.24 -0.46 -1.46 118.33 121.34 1rj9 n VAL 282 Ca -0.14 -2.96 0.00 0.00 -2.04 0.00 0.00 64.34 59.20 1rj9 n VAL 282 Cb 0.52 0.63 0.00 0.00 -1.47 0.00 0.00 33.84 33.53 1rj9 n VAL 282 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1rj9 n GLY 283 N -0.50 -2.34 0.56 7.63 0.00 -1.25 -4.64 105.19 104.65 1rj9 n GLY 283 Ca 0.16 -1.27 0.05 0.00 0.00 0.00 0.00 46.02 44.96 1rj9 n GLY 283 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1rj9 n GLU 284 N -0.62 2.88 -3.67 1.61 1.02 -1.26 -4.86 120.64 115.74 1rj9 n GLU 284 Ca 0.00 -2.04 -0.22 0.00 -0.02 0.00 0.00 57.16 54.88 1rj9 n GLU 284 Cb 0.00 -1.27 -0.02 0.00 -0.02 0.00 0.00 31.44 30.13 1rj9 n GLU 284 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1rj9 s GLY 285 N -1.08 1.28 0.56 0.62 0.00 -1.26 -5.00 107.32 102.44 1rj9 s GLY 285 Ca 0.21 -1.07 0.26 0.00 0.00 0.00 0.00 44.72 44.12 1rj9 s GLY 285 CO 0.13 -1.05 2.06 -2.55 0.00 0.00 0.00 173.10 171.69 1rj9 h PRO 286 N 0.96 0.00 -0.02 2.90 0.11 -1.94 -1.99 132.00 132.01 1rj9 h PRO 286 Ca -0.51 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1rj9 h PRO 286 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1rj9 h PRO 286 CO 0.61 0.00 -0.18 -0.25 -0.21 0.00 0.00 178.00 177.97 1rj9 n ASP 287 N -4.08 2.11 -2.43 -2.05 8.00 -1.26 -4.42 116.55 112.42 1rj9 n ASP 287 Ca 0.04 -1.58 -0.19 0.00 0.71 0.00 0.00 54.79 53.76 1rj9 n ASP 287 Cb 0.40 0.16 -0.12 0.00 -0.02 0.00 0.00 41.12 41.54 1rj9 n ASP 287 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1rj9 n ASP 288 N 0.40 5.89 -3.89 -2.24 10.43 -0.75 -4.78 116.55 121.62 1rj9 n ASP 288 Ca 0.13 -2.45 -0.15 0.00 2.57 0.00 0.00 54.79 54.90 1rj9 n ASP 288 Cb 0.47 -1.37 -0.15 0.00 1.84 0.00 0.00 41.12 41.92 1rj9 n ASP 288 CO 0.00 0.00 0.00 -0.22 -1.07 0.00 0.00 177.20 175.91 1rj9 s LEU 289 N 0.05 1.82 0.01 0.64 2.96 -1.26 -1.36 118.68 121.54 1rj9 s LEU 289 Ca 0.63 -0.04 0.01 0.00 -0.22 0.00 0.00 54.13 54.51 1rj9 s LEU 289 Cb 0.26 -0.15 -0.01 0.00 0.50 0.00 0.00 46.19 46.79 1rj9 s LEU 289 CO -0.02 0.00 -0.04 -1.10 -1.32 0.00 0.00 176.35 173.88 1rj9 s GLN 290 N 0.18 0.29 0.56 1.98 -0.21 -0.73 -4.99 119.66 116.74 1rj9 s GLN 290 Ca -0.01 -0.32 -0.21 0.00 0.02 0.00 0.00 55.36 54.83 1rj9 s GLN 290 Cb -0.04 -0.17 -0.04 0.00 1.00 0.00 0.00 33.01 33.76 1rj9 s GLN 290 CO -0.00 0.04 1.34 -2.14 -2.12 0.00 0.00 175.29 172.40 1rj9 s PRO 291 N -0.62 3.09 0.16 2.91 0.02 -1.26 -0.98 135.00 138.33 1rj9 s PRO 291 Ca -0.04 2.18 -0.31 0.00 0.02 0.00 0.00 61.00 62.85 1rj9 s PRO 291 Cb -0.04 -2.20 -0.10 0.00 0.02 0.00 0.00 34.50 32.18 1rj9 s PRO 291 CO -0.00 -1.21 1.52 0.12 -0.33 0.00 0.00 177.00 177.09 1rj9 s PHE 292 N -1.33 3.10 -0.32 6.54 2.19 -0.86 -4.69 117.98 122.61 1rj9 s PHE 292 Ca 0.73 0.73 0.03 0.00 0.33 0.00 0.00 56.93 58.75 1rj9 s PHE 292 Cb -0.39 -3.87 0.09 0.00 -1.31 0.00 0.00 43.02 37.54 1rj9 s PHE 292 CO 0.46 -3.14 0.03 0.34 1.83 0.00 0.00 175.22 174.74 1rj9 s ASP 293 N 1.06 4.56 0.19 6.13 -1.08 -1.26 -4.99 116.67 121.27 1rj9 s ASP 293 Ca 0.68 -1.92 -0.17 0.00 -0.52 0.00 0.00 52.55 50.61 1rj9 s ASP 293 Cb -0.42 -1.47 0.16 0.00 -1.46 0.00 0.00 42.92 39.72 1rj9 s ASP 293 CO 0.32 -0.35 1.62 -0.65 0.52 0.00 0.00 175.17 176.63 1rj9 h PRO 294 N 7.73 -0.09 0.32 4.34 0.11 -1.94 -1.06 132.00 141.40 1rj9 h PRO 294 Ca -0.08 0.01 -0.00 0.00 0.11 0.00 0.00 66.00 66.03 1rj9 h PRO 294 Cb 1.03 0.02 -0.03 0.00 0.11 0.00 0.00 31.00 32.12 1rj9 h PRO 294 CO 0.50 -0.06 -0.51 0.93 -0.21 0.00 0.00 178.00 178.65 1rj9 h GLU 295 N -0.09 -0.84 -0.76 1.05 3.07 -1.95 -0.93 114.58 114.13 1rj9 h GLU 295 Ca 0.24 0.06 0.07 0.00 -0.50 0.00 0.00 59.36 59.23 1rj9 h GLU 295 Cb 0.47 0.19 -0.06 0.00 -0.84 0.00 0.00 28.75 28.51 1rj9 h GLU 295 CO -0.59 -0.56 0.44 0.00 -1.40 0.00 0.00 179.01 176.90 1rj9 h ALA 296 N -0.75 1.05 -0.40 3.43 0.00 -1.95 -1.11 119.26 119.53 1rj9 h ALA 296 Ca -0.04 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1rj9 h ALA 296 Cb 0.81 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 1rj9 h ALA 296 CO -0.17 0.11 0.26 0.35 0.00 0.00 0.00 179.25 179.81 1rj9 h PHE 297 N 0.78 0.50 -0.36 0.00 3.04 -0.90 -1.57 116.94 118.42 1rj9 h PHE 297 Ca 0.35 0.01 -0.10 0.00 3.98 0.00 0.00 57.97 62.21 1rj9 h PHE 297 Cb 0.25 -0.17 -0.02 0.00 2.56 0.00 0.00 35.95 38.57 1rj9 h PHE 297 CO -0.06 0.32 -0.20 0.28 -2.02 0.00 0.00 178.31 176.62 1rj9 h VAL 298 N 0.54 1.27 -0.66 1.41 2.07 -0.81 -0.70 116.25 119.35 1rj9 h VAL 298 Ca 0.14 -1.27 -0.04 0.00 0.82 0.00 0.00 66.70 66.35 1rj9 h VAL 298 Cb -0.06 1.21 -0.03 0.00 -1.52 0.00 0.00 31.29 30.89 1rj9 h VAL 298 CO -0.03 0.42 0.26 -0.33 0.02 0.00 0.00 177.57 177.91 1rj9 h GLU 299 N 0.61 0.99 -0.35 1.57 4.39 -0.90 -2.32 114.58 118.58 1rj9 h GLU 299 Ca 0.09 -0.18 -0.11 0.00 0.34 0.00 0.00 59.36 59.50 1rj9 h GLU 299 Cb 0.68 -0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 29.16 1rj9 h GLU 299 CO 0.05 0.83 -0.21 0.00 -1.16 0.00 0.00 179.01 178.52 1rj9 h ALA 300 N 1.11 0.50 -0.93 3.43 0.00 -1.05 -3.03 119.26 119.28 1rj9 h ALA 300 Ca 0.22 -0.37 0.06 0.00 0.00 0.00 0.00 54.91 54.82 1rj9 h ALA 300 Cb 0.21 -0.12 -0.06 0.00 0.00 0.00 0.00 17.79 17.82 1rj9 h ALA 300 CO -0.02 0.45 0.59 1.25 0.00 0.00 0.00 179.25 181.53 1rj9 h LEU 301 N 0.54 0.95 -1.64 0.00 6.46 -0.92 0.12 115.31 120.82 1rj9 h LEU 301 Ca 0.07 0.01 0.00 0.00 -0.12 0.00 0.00 57.88 57.84 1rj9 h LEU 301 Cb 0.76 -0.20 0.00 0.00 -0.73 0.00 0.00 40.66 40.49 1rj9 h LEU 301 CO 0.06 0.62 0.00 0.18 -0.62 0.00 0.00 178.44 178.68 1rj9 n LEU 302 N -4.55 2.33 0.00 2.25 4.77 -0.89 -4.86 117.00 116.06 1rj9 n LEU 302 Ca 0.13 -1.18 0.00 0.00 -0.03 0.00 0.00 56.01 54.94 1rj9 n LEU 302 Cb 0.16 -0.45 0.00 0.00 -2.33 0.00 0.00 43.42 40.79 1rj9 n LEU 302 CO 0.32 0.38 0.00 -0.62 -1.33 0.00 0.00 177.39 176.14