#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rjd h ARG 3 N 0.00 0.74 -0.59 5.31 3.08 -2.03 -1.88 114.38 119.01 1rjd h ARG 3 Ca 0.00 -0.05 -0.06 0.00 0.07 0.00 0.00 59.98 59.94 1rjd h ARG 3 Cb 0.00 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 29.86 1rjd h ARG 3 CO 0.00 0.50 0.12 0.82 -1.07 0.00 0.00 179.97 180.34 1rjd h ILE 4 N 0.76 1.25 -0.33 2.04 2.04 -1.97 -0.97 117.51 120.34 1rjd h ILE 4 Ca 0.20 -0.93 -0.05 0.00 1.00 0.00 0.00 64.86 65.08 1rjd h ILE 4 Cb -0.08 0.73 -0.01 0.00 -0.74 0.00 0.00 36.82 36.72 1rjd h ILE 4 CO -0.04 0.35 0.01 0.40 0.00 0.00 0.00 178.15 178.86 1rjd h ILE 5 N 0.86 1.25 -0.98 -0.67 2.04 -1.94 -2.77 117.51 115.30 1rjd h ILE 5 Ca 0.18 -0.94 0.16 0.00 1.00 0.00 0.00 64.86 65.26 1rjd h ILE 5 Cb 0.38 1.21 -0.09 0.00 -0.74 0.00 0.00 36.82 37.58 1rjd h ILE 5 CO 0.01 0.31 0.62 1.56 0.00 0.00 0.00 178.15 180.64 1rjd h GLN 6 N 0.39 0.80 0.00 2.37 4.20 -0.90 -1.91 115.11 120.05 1rjd h GLN 6 Ca 0.10 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.76 1rjd h GLN 6 Cb 0.43 -0.18 0.00 0.00 0.30 0.00 0.00 27.48 28.03 1rjd h GLN 6 CO 0.01 0.53 0.00 1.04 -0.67 0.00 0.00 178.83 179.74 1rjd n GLN 7 N -4.66 0.41 0.21 1.46 6.02 -0.41 -2.77 117.38 117.65 1rjd n GLN 7 Ca 0.21 0.03 0.15 0.00 -0.01 0.00 0.00 57.00 57.37 1rjd n GLN 7 Cb 0.48 -1.50 0.72 0.00 1.02 0.00 0.00 30.24 30.96 1rjd n GLN 7 CO 0.00 0.00 0.00 1.79 -1.01 0.00 0.00 177.06 177.84 1rjd h THR 8 N 0.00 0.00 0.00 5.09 1.35 -1.30 -2.35 112.91 115.70 1rjd h THR 8 Ca 0.00 -0.16 -0.05 0.00 -0.55 0.00 0.00 66.41 65.65 1rjd h THR 8 Cb 0.25 0.93 -0.01 0.00 -1.73 0.00 0.00 68.15 67.58 1rjd h THR 8 CO 0.00 0.00 -0.22 -0.78 -0.25 0.00 0.00 175.52 174.27 1rjd h ASP 9 N 0.00 0.00 -0.65 5.36 3.58 -1.71 -2.84 116.42 120.16 1rjd h ASP 9 Ca 0.00 0.00 -0.08 0.00 0.42 0.00 0.00 57.03 57.37 1rjd h ASP 9 Cb 0.20 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 41.22 1rjd h ASP 9 CO 0.00 0.22 0.08 1.88 -2.88 0.00 0.00 179.24 178.54 1rjd h TYR 10 N 0.00 1.18 -0.59 0.28 0.99 -1.66 0.18 116.97 117.35 1rjd h TYR 10 Ca -0.00 -0.17 -0.11 0.00 2.00 0.00 0.00 58.73 60.45 1rjd h TYR 10 Cb 0.80 -0.32 -0.02 0.00 1.00 0.00 0.00 36.73 38.19 1rjd h TYR 10 CO 0.00 1.00 -0.04 -0.44 -0.00 0.00 0.00 178.16 178.68 1rjd h ASP 11 N 1.02 1.06 -0.18 3.88 3.32 -1.65 0.59 116.42 124.44 1rjd h ASP 11 Ca 0.20 -0.32 -0.00 0.00 0.02 0.00 0.00 57.03 56.92 1rjd h ASP 11 Cb 0.48 -0.29 -0.01 0.00 0.22 0.00 0.00 39.33 39.73 1rjd h ASP 11 CO 0.02 1.13 0.11 0.00 -1.72 0.00 0.00 179.24 178.78 1rjd h ALA 12 N 0.97 0.23 -0.45 3.45 0.00 -1.21 -0.95 119.26 121.31 1rjd h ALA 12 Ca 0.16 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 1rjd h ALA 12 Cb 0.61 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 1rjd h ALA 12 CO 0.04 -0.26 0.18 1.25 0.00 0.00 0.00 179.25 180.46 1rjd h LEU 13 N 0.22 0.61 -0.81 0.00 5.85 -0.59 -1.89 115.31 118.71 1rjd h LEU 13 Ca 0.07 -0.16 0.11 0.00 0.84 0.00 0.00 57.88 58.73 1rjd h LEU 13 Cb 0.02 -0.16 -0.08 0.00 0.37 0.00 0.00 40.66 40.81 1rjd h LEU 13 CO -0.01 0.61 0.44 0.28 -0.34 0.00 0.00 178.44 179.42 1rjd h SER 14 N 0.58 0.59 -0.25 1.25 0.02 -0.66 -0.45 113.55 114.64 1rjd h SER 14 Ca 0.15 0.06 -0.05 0.00 -0.84 0.00 0.00 61.79 61.11 1rjd h SER 14 Cb 0.19 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 62.67 1rjd h SER 14 CO -0.01 0.32 -0.04 0.00 -1.14 0.00 0.00 176.83 175.96 1rjd h LYS 16 N 0.23 -0.15 -0.75 0.00 1.63 -1.06 -1.37 116.57 115.10 1rjd h LYS 16 Ca 0.07 0.01 -0.05 0.00 -0.85 0.00 0.00 60.65 59.83 1rjd h LYS 16 Cb 0.49 0.04 -0.03 0.00 -0.60 0.00 0.00 32.23 32.12 1rjd h LYS 16 CO 0.02 -0.10 0.29 -0.07 -3.45 0.00 0.00 179.45 176.14 1rjd h LEU 17 N -0.16 1.04 -0.74 5.20 3.38 -0.97 -1.92 115.31 121.14 1rjd h LEU 17 Ca 0.09 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 57.88 1rjd h LEU 17 Cb 0.29 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.73 1rjd h LEU 17 CO -0.22 0.94 0.47 0.00 0.09 0.00 0.00 178.44 179.71 1rjd h ALA 18 N 1.15 0.94 -0.45 1.53 0.00 -0.91 -0.32 119.26 121.19 1rjd h ALA 18 Ca 0.25 -0.07 -0.10 0.00 0.00 0.00 0.00 54.91 54.99 1rjd h ALA 18 Cb 0.23 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 1rjd h ALA 18 CO -0.02 0.38 -0.11 0.00 0.00 0.00 0.00 179.25 179.51 1rjd h ALA 19 N 1.25 0.96 -0.30 0.00 0.00 -0.93 -1.46 119.26 118.78 1rjd h ALA 19 Ca 0.27 -0.32 -0.13 0.00 0.00 0.00 0.00 54.91 54.73 1rjd h ALA 19 Cb -0.08 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.53 1rjd h ALA 19 CO -0.05 0.61 -0.30 0.82 0.00 0.00 0.00 179.25 180.33 1rjd h ILE 20 N 0.73 1.30 -0.74 0.00 2.04 -1.23 0.19 117.51 119.81 1rjd h ILE 20 Ca 0.12 -1.47 -0.06 0.00 1.00 0.00 0.00 64.86 64.45 1rjd h ILE 20 Cb 0.60 1.55 -0.03 0.00 -0.74 0.00 0.00 36.82 38.20 1rjd h ILE 20 CO 0.04 0.47 0.23 -1.28 0.00 0.00 0.00 178.15 177.61 1rjd h SER 21 N 0.49 1.07 0.85 1.72 0.87 -0.81 -2.70 113.55 115.04 1rjd h SER 21 Ca 0.05 -0.20 -0.22 0.00 -1.23 0.00 0.00 61.79 60.19 1rjd h SER 21 Cb 0.87 -0.28 -0.02 0.00 -0.44 0.00 0.00 62.40 62.54 1rjd h SER 21 CO 0.07 0.99 -1.03 0.58 -0.53 0.00 0.00 176.83 176.91 1rjd h VAL 22 N 1.09 1.63 0.00 2.23 2.07 -1.30 -3.48 116.25 118.50 1rjd h VAL 22 Ca 0.24 -3.20 0.00 0.00 0.82 0.00 0.00 66.70 64.55 1rjd h VAL 22 Cb 0.30 2.81 0.00 0.00 -1.52 0.00 0.00 31.29 32.88 1rjd h VAL 22 CO -0.01 0.92 0.00 0.61 0.02 0.00 0.00 177.57 179.11 1rjd n GLY 23 N 1.31 1.23 0.32 2.17 0.00 -0.47 -4.99 105.19 104.77 1rjd n GLY 23 Ca -0.03 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 45.99 1rjd n GLY 23 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1rjd h TYR 24 N 0.00 1.01 -4.06 1.61 0.05 -1.28 -3.43 116.97 110.88 1rjd h TYR 24 Ca 0.00 0.03 -0.60 0.00 0.05 0.00 0.00 58.73 58.20 1rjd h TYR 24 Cb 0.00 -0.33 -0.24 0.00 1.01 0.00 0.00 36.73 37.17 1rjd h TYR 24 CO 0.00 0.55 -0.85 -0.51 -1.05 0.00 0.00 178.16 176.30 1rjd s LEU 25 N -10.19 2.24 0.67 3.88 1.43 -1.10 -4.03 118.68 111.58 1rjd s LEU 25 Ca -0.13 -0.62 -0.13 0.00 -1.03 0.00 0.00 54.13 52.22 1rjd s LEU 25 Cb 0.18 -1.02 -0.00 0.00 0.03 0.00 0.00 46.19 45.38 1rjd s LEU 25 CO 0.79 0.14 1.06 -2.16 0.23 0.00 0.00 176.35 176.41 1rjd s PRO 26 N -1.58 2.99 -0.61 1.29 0.04 -1.26 -4.06 135.00 131.80 1rjd s PRO 26 Ca 0.09 1.08 -0.16 0.00 0.04 0.00 0.00 61.00 62.05 1rjd s PRO 26 Cb -0.10 -1.99 0.15 0.00 0.04 0.00 0.00 34.50 32.60 1rjd s PRO 26 CO 0.03 -1.07 0.59 0.45 0.04 0.00 0.00 177.00 177.05 1rjd s SER 27 N -3.34 6.32 0.39 6.66 0.15 -1.26 -4.99 113.70 117.63 1rjd s SER 27 Ca 0.61 -1.96 0.13 0.00 0.70 0.00 0.00 55.95 55.43 1rjd s SER 27 Cb -0.15 -2.22 0.78 0.00 -1.71 0.00 0.00 66.02 62.71 1rjd s SER 27 CO 0.48 -0.83 1.85 0.77 1.20 0.00 0.00 173.24 176.72 1rjd h SER 28 N 8.68 0.00 -0.00 5.45 4.64 -1.94 -0.34 113.55 130.02 1rjd h SER 28 Ca -0.20 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.11 1rjd h SER 28 Cb 1.08 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.17 1rjd h SER 28 CO 0.98 0.34 -0.02 1.23 -0.87 0.00 0.00 176.83 178.49 1rjd h GLY 29 N 1.04 0.02 1.96 -0.77 0.00 -1.94 0.82 103.07 104.21 1rjd h GLY 29 Ca -0.00 -0.03 -0.15 0.00 0.00 0.00 0.00 47.33 47.14 1rjd h GLY 29 CO 0.04 0.03 -0.69 1.41 0.00 0.00 0.00 176.54 177.33 1rjd h LEU 30 N -0.63 0.05 -1.14 3.11 3.38 -1.95 -2.72 115.31 115.42 1rjd h LEU 30 Ca -0.00 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1rjd h LEU 30 Cb 0.68 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.41 1rjd h LEU 30 CO 0.00 0.73 -0.11 0.00 0.09 0.00 0.00 178.44 179.15 1rjd n GLN 31 N -3.73 1.63 -3.67 1.13 6.02 -0.15 -4.45 117.38 114.15 1rjd n GLN 31 Ca -0.01 -1.14 -0.21 0.00 -0.01 0.00 0.00 57.00 55.63 1rjd n GLN 31 Cb 0.68 -1.48 0.04 0.00 1.02 0.00 0.00 30.24 30.50 1rjd n GLN 31 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1rjd n ARG 32 N 0.31 -4.97 -4.14 -1.09 1.74 -0.46 -4.98 116.66 103.08 1rjd n ARG 32 Ca 0.15 0.64 -0.35 0.00 -0.77 0.00 0.00 57.85 57.53 1rjd n ARG 32 Cb 0.43 -5.23 -0.13 0.00 -1.02 0.00 0.00 32.46 26.52 1rjd n ARG 32 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1rjd s LEU 33 N -6.62 3.20 1.14 0.55 1.43 0.16 -5.03 118.68 113.51 1rjd s LEU 33 Ca 0.01 -0.21 -0.13 0.00 -1.03 0.00 0.00 54.13 52.78 1rjd s LEU 33 Cb -0.00 -1.80 0.27 0.00 0.03 0.00 0.00 46.19 44.69 1rjd s LEU 33 CO 0.80 0.08 1.04 -0.94 0.23 0.00 0.00 176.35 177.56 1rjd s SER 34 N 0.91 1.18 0.20 2.29 1.04 -1.26 -4.64 113.70 113.41 1rjd s SER 34 Ca 0.01 1.52 -0.12 0.00 0.48 0.00 0.00 55.95 57.84 1rjd s SER 34 Cb -0.14 -2.27 0.23 0.00 0.10 0.00 0.00 66.02 63.93 1rjd s SER 34 CO 0.02 -4.08 1.71 0.58 0.98 0.00 0.00 173.24 172.44 1rjd h VAL 35 N -2.54 0.67 -0.22 5.02 2.07 -1.99 0.48 116.25 119.74 1rjd h VAL 35 Ca -0.60 -0.08 -0.17 0.00 0.82 0.00 0.00 66.70 66.67 1rjd h VAL 35 Cb 1.33 0.43 -0.00 0.00 -1.52 0.00 0.00 31.29 31.52 1rjd h VAL 35 CO 0.51 0.04 -0.55 0.44 0.02 0.00 0.00 177.57 178.02 1rjd h ASP 36 N 0.22 0.76 0.75 0.57 5.19 -2.00 -2.32 116.42 119.59 1rjd h ASP 36 Ca 0.28 -0.41 -0.12 0.00 -0.62 0.00 0.00 57.03 56.16 1rjd h ASP 36 Cb 0.40 -0.22 -0.02 0.00 0.18 0.00 0.00 39.33 39.67 1rjd h ASP 36 CO -0.37 1.16 -0.55 0.25 -3.12 0.00 0.00 179.24 176.60 1rjd h LEU 37 N 0.52 0.00 -0.65 1.55 5.85 -1.78 -2.44 115.31 118.35 1rjd h LEU 37 Ca 0.01 0.00 -0.12 0.00 0.84 0.00 0.00 57.88 58.61 1rjd h LEU 37 Cb 1.12 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.14 1rjd h LEU 37 CO 0.11 0.55 -0.28 0.28 -0.34 0.00 0.00 178.44 178.77 1rjd h SER 38 N 0.00 0.77 -0.55 1.25 0.02 -0.74 0.31 113.55 114.62 1rjd h SER 38 Ca -0.01 -0.30 -0.10 0.00 -0.84 0.00 0.00 61.79 60.54 1rjd h SER 38 Cb 1.08 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 63.39 1rjd h SER 38 CO 0.07 1.01 -0.06 0.50 -1.14 0.00 0.00 176.83 177.21 1rjd h LYS 39 N 0.64 1.02 -0.28 3.45 3.64 -1.26 -2.81 116.57 120.98 1rjd h LYS 39 Ca 0.08 -0.35 -0.18 0.00 -1.27 0.00 0.00 60.65 58.93 1rjd h LYS 39 Cb 0.80 -0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 32.53 1rjd h LYS 39 CO 0.07 1.04 -0.53 0.87 -2.27 0.00 0.00 179.45 178.62 1rjd h LYS 40 N 0.92 0.83 -0.40 1.90 1.57 -1.15 -1.56 116.57 118.69 1rjd h LYS 40 Ca 0.15 -0.52 0.08 0.00 -1.87 0.00 0.00 60.65 58.50 1rjd h LYS 40 Cb 0.61 0.06 -0.07 0.00 0.08 0.00 0.00 32.23 32.91 1rjd h LYS 40 CO 0.04 1.15 -0.06 -0.92 -0.57 0.00 0.00 179.45 179.09 1rjd h TYR 41 N 0.64 -0.13 -0.24 -1.35 3.20 -0.83 0.22 116.97 118.47 1rjd h TYR 41 Ca 0.02 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.91 1rjd h TYR 41 Cb 1.13 0.12 -0.01 0.00 1.54 0.00 0.00 36.73 39.51 1rjd h TYR 41 CO 0.07 -0.14 0.10 1.15 -1.64 0.00 0.00 178.16 177.70 1rjd h THR 42 N 0.04 1.17 -0.83 1.81 2.02 -1.39 -2.93 112.91 112.80 1rjd h THR 42 Ca 0.20 -0.53 -0.03 0.00 0.77 0.00 0.00 66.41 66.81 1rjd h THR 42 Cb 0.29 1.07 -0.04 0.00 -1.74 0.00 0.00 68.15 67.73 1rjd h THR 42 CO -0.38 0.18 0.38 -0.33 0.37 0.00 0.00 175.52 175.74 1rjd h GLU 43 N 0.24 1.20 -0.51 6.66 5.08 -0.40 -0.94 114.58 125.92 1rjd h GLU 43 Ca 0.08 -0.18 -0.05 0.00 -1.00 0.00 0.00 59.36 58.21 1rjd h GLU 43 Cb 0.19 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.20 1rjd h GLU 43 CO -0.01 0.93 0.12 -1.49 -1.00 0.00 0.00 179.01 177.56 1rjd h TRP 44 N 1.19 0.86 -0.39 4.33 6.55 -0.60 -0.38 115.95 127.50 1rjd h TRP 44 Ca 0.28 -0.10 -0.15 0.00 0.95 0.00 0.00 58.89 59.87 1rjd h TRP 44 Cb 0.14 -0.24 -0.01 0.00 -0.86 0.00 0.00 29.16 28.19 1rjd h TRP 44 CO 0.02 0.76 -0.35 0.45 -1.05 0.00 0.00 178.44 178.27 1rjd h HIS 45 N 0.70 1.11 -0.32 0.49 3.86 -1.30 -0.85 115.15 118.84 1rjd h HIS 45 Ca 0.16 -0.32 -0.07 0.00 -1.16 0.00 0.00 60.37 58.98 1rjd h HIS 45 Cb 0.34 -0.24 -0.02 0.00 1.06 0.00 0.00 27.41 28.56 1rjd h HIS 45 CO 0.02 1.15 -0.08 0.00 0.86 0.00 0.00 177.93 179.88 1rjd h ARG 46 N 0.75 0.53 -0.13 2.45 3.08 -0.94 -2.09 114.38 118.02 1rjd h ARG 46 Ca 0.07 -0.14 -0.15 0.00 0.07 0.00 0.00 59.98 59.83 1rjd h ARG 46 Cb 0.94 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.92 1rjd h ARG 46 CO 0.09 0.61 -0.54 1.03 -1.07 0.00 0.00 179.97 180.09 1rjd h SER 47 N 0.49 0.43 -0.53 7.04 0.87 -0.94 -2.50 113.55 118.41 1rjd h SER 47 Ca 0.10 -0.23 0.03 0.00 -1.23 0.00 0.00 61.79 60.46 1rjd h SER 47 Cb 0.45 -0.12 -0.04 0.00 -0.44 0.00 0.00 62.40 62.25 1rjd h SER 47 CO 0.02 0.89 0.31 0.22 -0.53 0.00 0.00 176.83 177.74 1rjd h TYR 48 N 0.30 0.58 -0.16 2.24 3.20 -0.49 -0.79 116.97 121.85 1rjd h TYR 48 Ca 0.01 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.88 1rjd h TYR 48 Cb 1.05 -0.18 -0.01 0.00 1.54 0.00 0.00 36.73 39.13 1rjd h TYR 48 CO 0.03 0.32 0.06 1.25 -1.64 0.00 0.00 178.16 178.18 1rjd h LEU 49 N 0.61 0.23 -1.10 2.82 5.85 -1.33 0.82 115.31 123.21 1rjd h LEU 49 Ca 0.22 -0.18 -0.01 0.00 0.84 0.00 0.00 57.88 58.75 1rjd h LEU 49 Cb 0.04 -0.06 -0.04 0.00 0.37 0.00 0.00 40.66 40.97 1rjd h LEU 49 CO -0.11 0.34 0.46 0.40 -0.34 0.00 0.00 178.44 179.19 1rjd h ILE 50 N 0.10 1.22 -0.00 4.05 2.04 -1.29 -1.95 117.51 121.68 1rjd h ILE 50 Ca 0.05 -0.52 -0.17 0.00 1.00 0.00 0.00 64.86 65.22 1rjd h ILE 50 Cb 0.19 0.13 -0.02 0.00 -0.74 0.00 0.00 36.82 36.39 1rjd h ILE 50 CO -0.00 0.24 -0.80 0.74 0.00 0.00 0.00 178.15 178.32 1rjd h THR 51 N 1.09 1.53 -0.53 -0.27 2.02 -0.92 -2.63 112.91 113.19 1rjd h THR 51 Ca 0.28 -2.61 0.00 0.00 0.77 0.00 0.00 66.41 64.85 1rjd h THR 51 Cb -0.02 2.42 -0.03 0.00 -1.74 0.00 0.00 68.15 68.79 1rjd h THR 51 CO -0.05 0.75 0.34 0.25 0.37 0.00 0.00 175.52 177.18 1rjd h LEU 52 N 0.05 0.62 -0.88 2.58 5.85 -0.43 -2.48 115.31 120.62 1rjd h LEU 52 Ca -0.02 -0.03 0.09 0.00 0.84 0.00 0.00 57.88 58.75 1rjd h LEU 52 Cb 1.41 -0.16 -0.07 0.00 0.37 0.00 0.00 40.66 42.21 1rjd h LEU 52 CO 0.11 0.47 0.53 0.50 -0.34 0.00 0.00 178.44 179.71 1rjd h LYS 53 N 0.71 0.89 -0.78 1.25 3.64 -1.00 0.72 116.57 121.99 1rjd h LYS 53 Ca 0.19 -0.05 0.02 0.00 -1.27 0.00 0.00 60.65 59.54 1rjd h LYS 53 Cb -0.05 -0.20 -0.04 0.00 -0.41 0.00 0.00 32.23 31.52 1rjd h LYS 53 CO -0.04 0.59 0.51 -0.22 -2.27 0.00 0.00 179.45 178.02 1rjd h LYS 54 N 0.92 0.99 0.00 1.90 3.64 -1.26 -3.10 116.57 119.66 1rjd h LYS 54 Ca 0.41 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.73 1rjd h LYS 54 Cb 0.31 -0.22 0.00 0.00 -0.41 0.00 0.00 32.23 31.90 1rjd h LYS 54 CO -0.22 0.66 -0.41 0.74 -2.27 0.00 0.00 179.45 177.94 1rjd h PHE 55 N 1.02 0.00 -0.98 1.91 0.04 -0.79 -3.45 116.94 114.69 1rjd h PHE 55 Ca 0.30 0.00 0.08 0.00 2.80 0.00 0.00 57.97 61.14 1rjd h PHE 55 Cb -0.07 0.00 -0.21 0.00 2.20 0.00 0.00 35.95 37.87 1rjd h PHE 55 CO -0.02 0.00 -0.29 0.45 -0.60 0.00 0.00 178.31 177.84 1rjd s SER 56 N -5.46 -1.44 0.16 2.17 0.15 0.11 -5.01 113.70 104.38 1rjd s SER 56 Ca 0.05 0.65 -0.18 0.00 0.70 0.00 0.00 55.95 57.17 1rjd s SER 56 Cb 0.08 2.11 0.06 0.00 -1.71 0.00 0.00 66.02 66.56 1rjd s SER 56 CO 0.71 -0.27 1.67 -0.09 1.20 0.00 0.00 173.24 176.46 1rjd h ARG 57 N 7.99 -0.02 -0.13 5.44 2.43 -1.84 -1.91 114.38 126.35 1rjd h ARG 57 Ca -0.16 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.01 1rjd h ARG 57 Cb 1.17 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.72 1rjd h ARG 57 CO 0.22 -0.01 0.07 -0.09 -1.51 0.00 0.00 179.97 178.64 1rjd h ARG 58 N -0.02 0.18 -0.26 0.20 2.43 -1.95 -0.90 114.38 114.07 1rjd h ARG 58 Ca 0.17 -0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 59.28 1rjd h ARG 58 Cb 0.27 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.78 1rjd h ARG 58 CO -0.36 0.21 0.03 0.00 -1.51 0.00 0.00 179.97 178.35 1rjd h ALA 59 N 0.96 0.35 -0.70 2.80 0.00 -1.93 -2.10 119.26 118.65 1rjd h ALA 59 Ca 0.05 -0.19 0.07 0.00 0.00 0.00 0.00 54.91 54.83 1rjd h ALA 59 Cb 0.09 -0.10 -0.06 0.00 0.00 0.00 0.00 17.79 17.72 1rjd h ALA 59 CO -0.01 0.04 0.38 0.35 0.00 0.00 0.00 179.25 180.02 1rjd h PHE 60 N 0.24 0.70 -0.59 0.00 3.57 -1.27 -1.59 116.94 118.00 1rjd h PHE 60 Ca 0.08 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.59 1rjd h PHE 60 Cb 0.35 -0.21 -0.03 0.00 2.79 0.00 0.00 35.95 38.85 1rjd h PHE 60 CO 0.02 0.32 0.32 0.78 -2.23 0.00 0.00 178.31 177.53 1rjd h GLY 61 N 0.69 0.89 0.98 2.40 0.00 -0.90 0.44 103.07 107.58 1rjd h GLY 61 Ca 0.32 -0.40 -0.02 0.00 0.00 0.00 0.00 47.33 47.22 1rjd h GLY 61 CO -0.20 0.39 0.25 0.50 0.00 0.00 0.00 176.54 177.48 1rjd h LYS 62 N 0.80 0.80 -0.14 4.80 1.57 -1.03 -1.57 116.57 121.80 1rjd h LYS 62 Ca 0.21 -0.13 -0.05 0.00 -1.87 0.00 0.00 60.65 58.81 1rjd h LYS 62 Cb 0.05 -0.14 -0.00 0.00 0.08 0.00 0.00 32.23 32.21 1rjd h LYS 62 CO -0.03 0.67 -0.12 0.28 -0.57 0.00 0.00 179.45 179.67 1rjd h VAL 63 N 0.74 1.34 -0.13 0.50 2.07 -0.84 -2.73 116.25 117.19 1rjd h VAL 63 Ca 0.19 -1.25 0.01 0.00 0.82 0.00 0.00 66.70 66.47 1rjd h VAL 63 Cb 0.14 1.85 -0.01 0.00 -1.52 0.00 0.00 31.29 31.75 1rjd h VAL 63 CO -0.02 0.36 0.07 -0.78 0.02 0.00 0.00 177.57 177.22 1rjd h ASP 64 N -0.03 0.10 -0.30 0.57 3.58 -0.11 -0.86 116.42 119.37 1rjd h ASP 64 Ca 0.03 0.00 0.01 0.00 0.42 0.00 0.00 57.03 57.48 1rjd h ASP 64 Cb 0.63 -0.02 -0.02 0.00 1.72 0.00 0.00 39.33 41.65 1rjd h ASP 64 CO 0.03 0.08 0.19 0.11 -2.88 0.00 0.00 179.24 176.77 1rjd h LYS 65 N 0.14 0.38 0.00 0.28 1.57 -1.33 -2.20 116.57 115.41 1rjd h LYS 65 Ca 0.05 -0.02 -0.12 0.00 -1.87 0.00 0.00 60.65 58.69 1rjd h LYS 65 Cb 0.00 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.21 1rjd h LYS 65 CO -0.03 0.25 -0.57 0.00 -0.57 0.00 0.00 179.45 178.53 1rjd h ALA 66 N 1.12 1.03 -0.33 3.86 0.00 -1.39 -2.83 119.26 120.71 1rjd h ALA 66 Ca 0.11 -0.52 -0.14 0.00 0.00 0.00 0.00 54.91 54.37 1rjd h ALA 66 Cb -0.04 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1rjd h ALA 66 CO -0.03 0.71 -0.32 1.98 0.00 0.00 0.00 179.25 181.58 1rjd h MET 67 N 0.00 0.81 0.00 0.00 -1.53 -0.87 -2.68 114.93 110.65 1rjd h MET 67 Ca -0.01 -0.42 0.00 0.00 -3.44 0.00 0.00 59.70 55.83 1rjd h MET 67 Cb 1.03 0.01 0.00 0.00 -0.55 0.00 0.00 31.60 32.09 1rjd h MET 67 CO 0.07 1.06 -0.09 0.00 0.14 0.00 0.00 176.91 178.09 1rjd h ARG 68 N 0.58 0.00 -0.13 0.39 -0.00 -1.34 -3.18 114.38 110.71 1rjd h ARG 68 Ca 0.05 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.53 1rjd h ARG 68 Cb 0.91 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.88 1rjd h ARG 68 CO 0.08 0.00 0.00 -1.13 0.00 0.00 0.00 179.97 178.92 1rjd n SER 69 N -2.77 2.53 -4.77 7.04 3.41 -1.08 -4.99 113.62 112.99 1rjd n SER 69 Ca 0.04 -1.83 -0.41 0.00 -0.26 0.00 0.00 58.87 56.41 1rjd n SER 69 Cb 0.50 -0.08 -0.01 0.00 -0.26 0.00 0.00 64.21 64.36 1rjd n SER 69 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1rjd s SER 70 N -1.81 6.54 0.17 4.04 0.15 -1.02 -5.01 113.70 116.75 1rjd s SER 70 Ca 0.34 2.87 0.02 0.00 0.70 0.00 0.00 55.95 59.88 1rjd s SER 70 Cb 0.20 -2.65 -0.04 0.00 -1.71 0.00 0.00 66.02 61.82 1rjd s SER 70 CO 0.31 -0.73 0.31 -0.36 1.20 0.00 0.00 173.24 173.97 1rjd s PHE 71 N -0.93 3.48 0.31 3.44 0.08 -1.26 -5.00 117.98 118.10 1rjd s PHE 71 Ca 0.53 0.15 0.09 0.00 0.12 0.00 0.00 56.93 57.82 1rjd s PHE 71 Cb -0.44 -1.70 0.88 0.00 -0.57 0.00 0.00 43.02 41.20 1rjd s PHE 71 CO 0.56 0.48 1.70 -1.35 -0.10 0.00 0.00 175.22 176.51 1rjd h PRO 72 N 2.02 0.44 -0.60 0.24 0.11 -1.95 -1.65 132.00 130.61 1rjd h PRO 72 Ca -0.49 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 65.59 1rjd h PRO 72 Cb 1.20 -0.10 -0.03 0.00 0.11 0.00 0.00 31.00 32.18 1rjd h PRO 72 CO 0.68 0.29 0.36 0.28 -0.21 0.00 0.00 178.00 179.40 1rjd h VAL 73 N 0.46 1.18 -0.90 3.15 2.07 -1.95 0.01 116.25 120.27 1rjd h VAL 73 Ca 0.64 -0.41 -0.01 0.00 0.82 0.00 0.00 66.70 67.73 1rjd h VAL 73 Cb 1.28 0.37 -0.04 0.00 -1.52 0.00 0.00 31.29 31.37 1rjd h VAL 73 CO -0.53 0.19 0.52 0.24 0.02 0.00 0.00 177.57 178.01 1rjd h MET 74 N 0.81 1.24 -0.37 1.57 2.86 -1.72 -2.11 114.93 117.21 1rjd h MET 74 Ca 0.22 -0.13 -0.11 0.00 -2.06 0.00 0.00 59.70 57.62 1rjd h MET 74 Cb -0.01 -0.25 -0.01 0.00 0.06 0.00 0.00 31.60 31.39 1rjd h MET 74 CO -0.04 0.88 -0.21 -0.91 1.06 0.00 0.00 176.91 177.69 1rjd h ASN 75 N 1.25 0.82 -0.70 1.22 2.35 -0.90 -0.27 115.58 119.35 1rjd h ASN 75 Ca 0.32 -0.42 0.11 0.00 -0.55 0.00 0.00 56.30 55.76 1rjd h ASN 75 Cb -0.02 -0.23 -0.08 0.00 0.05 0.00 0.00 38.32 38.04 1rjd h ASN 75 CO -0.06 1.06 0.31 1.88 -1.65 0.00 0.00 177.43 178.97 1rjd h TYR 76 N 0.59 0.54 -0.60 1.19 -1.99 -0.95 -0.59 116.97 115.16 1rjd h TYR 76 Ca 0.08 0.03 0.03 0.00 2.00 0.00 0.00 58.73 60.87 1rjd h TYR 76 Cb 0.77 -0.14 -0.04 0.00 2.00 0.00 0.00 36.73 39.32 1rjd h TYR 76 CO 0.06 0.15 0.35 0.78 -0.00 0.00 0.00 178.16 179.51 1rjd h GLY 77 N 0.51 0.86 0.97 3.88 0.00 -0.60 -1.06 103.07 107.63 1rjd h GLY 77 Ca 0.36 -0.26 -0.06 0.00 0.00 0.00 0.00 47.33 47.36 1rjd h GLY 77 CO -0.31 0.21 0.05 -0.84 0.00 0.00 0.00 176.54 175.64 1rjd h THR 78 N 0.69 1.25 -0.13 4.70 2.02 -0.60 -1.48 112.91 119.36 1rjd h THR 78 Ca 0.25 -0.96 0.02 0.00 0.77 0.00 0.00 66.41 66.49 1rjd h THR 78 Cb 0.06 0.97 -0.02 0.00 -1.74 0.00 0.00 68.15 67.42 1rjd h THR 78 CO -0.12 0.34 0.01 0.22 0.37 0.00 0.00 175.52 176.33 1rjd h TYR 79 N 0.64 0.00 -0.24 3.16 3.20 -0.79 -1.49 116.97 121.46 1rjd h TYR 79 Ca 0.14 0.01 -0.05 0.00 3.14 0.00 0.00 58.73 61.97 1rjd h TYR 79 Cb 0.43 0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.71 1rjd h TYR 79 CO 0.03 -0.01 -0.05 -0.07 -1.64 0.00 0.00 178.16 176.43 1rjd h LEU 80 N 0.05 0.46 -0.47 2.82 3.38 -1.04 -0.98 115.31 119.53 1rjd h LEU 80 Ca 0.06 -0.36 0.09 0.00 0.09 0.00 0.00 57.88 57.77 1rjd h LEU 80 Cb 0.07 -0.12 -0.09 0.00 0.09 0.00 0.00 40.66 40.61 1rjd h LEU 80 CO -0.10 0.70 -0.11 -0.09 0.09 0.00 0.00 178.44 178.93 1rjd h ARG 81 N 0.20 0.00 0.03 1.13 2.43 -1.23 -1.06 114.38 115.88 1rjd h ARG 81 Ca 0.06 -0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.23 1rjd h ARG 81 Cb 0.50 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.05 1rjd h ARG 81 CO 0.02 0.00 -0.01 1.15 -1.51 0.00 0.00 179.97 179.62 1rjd h THR 82 N 0.00 1.41 -0.08 0.20 2.02 -0.90 -2.45 112.91 113.11 1rjd h THR 82 Ca 0.23 -1.61 -0.08 0.00 0.77 0.00 0.00 66.41 65.72 1rjd h THR 82 Cb 0.35 2.46 -0.01 0.00 -1.74 0.00 0.00 68.15 69.20 1rjd h THR 82 CO -0.48 0.40 -0.31 -0.37 0.37 0.00 0.00 175.52 175.13 1rjd h VAL 83 N -0.77 1.25 -0.15 3.16 -1.51 -1.24 -0.30 116.25 116.68 1rjd h VAL 83 Ca -0.00 -1.21 -0.01 0.00 -1.23 0.00 0.00 66.70 64.25 1rjd h VAL 83 Cb 0.68 1.54 -0.01 0.00 -2.13 0.00 0.00 31.29 31.38 1rjd h VAL 83 CO 0.01 0.36 0.06 1.23 -1.23 0.00 0.00 177.57 177.99 1rjd h GLY 84 N 1.03 0.25 0.98 5.19 0.00 -1.23 0.12 103.07 109.42 1rjd h GLY 84 Ca 0.02 -0.14 -0.00 0.00 0.00 0.00 0.00 47.33 47.21 1rjd h GLY 84 CO 0.05 0.13 0.14 -2.22 0.00 0.00 0.00 176.54 174.64 1rjd h ILE 85 N 0.09 1.08 -0.78 2.60 2.04 -1.27 -2.88 117.51 118.38 1rjd h ILE 85 Ca 0.05 -0.18 -0.03 0.00 1.00 0.00 0.00 64.86 65.71 1rjd h ILE 85 Cb 0.19 0.79 -0.04 0.00 -0.74 0.00 0.00 36.82 37.02 1rjd h ILE 85 CO -0.00 0.08 0.37 0.44 0.00 0.00 0.00 178.15 179.04 1rjd h ASP 86 N 0.29 1.02 -0.92 1.72 3.32 -0.78 -1.98 116.42 119.08 1rjd h ASP 86 Ca 0.08 -0.13 0.00 0.00 0.02 0.00 0.00 57.03 57.00 1rjd h ASP 86 Cb 0.00 -0.26 -0.05 0.00 0.22 0.00 0.00 39.33 39.24 1rjd h ASP 86 CO -0.02 0.87 0.59 0.00 -1.72 0.00 0.00 179.24 178.96 1rjd h ALA 87 N 1.19 1.17 -0.34 3.45 0.00 -0.75 -0.43 119.26 123.56 1rjd h ALA 87 Ca 0.27 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 55.06 1rjd h ALA 87 Cb 0.12 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 1rjd h ALA 87 CO -0.03 0.60 0.06 0.00 0.00 0.00 0.00 179.25 179.87 1rjd h ALA 88 N 1.32 0.46 -0.26 0.00 0.00 -1.22 -2.10 119.26 117.46 1rjd h ALA 88 Ca 0.34 -0.20 0.02 0.00 0.00 0.00 0.00 54.91 55.06 1rjd h ALA 88 Cb -0.10 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 1rjd h ALA 88 CO -0.07 0.16 0.14 0.82 0.00 0.00 0.00 179.25 180.29 1rjd h ILE 89 N 0.40 1.00 -0.63 0.00 2.04 -1.02 -2.64 117.51 116.67 1rjd h ILE 89 Ca 0.10 -0.10 -0.06 0.00 1.00 0.00 0.00 64.86 65.80 1rjd h ILE 89 Cb 0.35 0.69 -0.03 0.00 -0.74 0.00 0.00 36.82 37.10 1rjd h ILE 89 CO 0.01 0.05 0.14 -0.07 0.00 0.00 0.00 178.15 178.28 1rjd h LEU 90 N 0.29 0.94 -0.77 1.44 3.38 -0.86 -2.06 115.31 117.67 1rjd h LEU 90 Ca 0.11 -0.19 0.03 0.00 0.09 0.00 0.00 57.88 57.91 1rjd h LEU 90 Cb 0.02 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 40.48 1rjd h LEU 90 CO -0.07 0.92 0.49 -0.33 0.09 0.00 0.00 178.44 179.54 1rjd h GLU 91 N 0.95 0.94 -0.36 1.13 5.08 -1.27 -2.65 114.58 118.40 1rjd h GLU 91 Ca 0.20 -0.06 -0.03 0.00 -1.00 0.00 0.00 59.36 58.47 1rjd h GLU 91 Cb 0.35 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 1rjd h GLU 91 CO 0.00 0.62 0.10 0.35 -1.00 0.00 0.00 179.01 179.09 1rjd h PHE 92 N 0.97 0.59 -0.48 4.33 3.57 -1.02 -2.98 116.94 121.92 1rjd h PHE 92 Ca 0.30 -0.06 0.05 0.00 3.53 0.00 0.00 57.97 61.79 1rjd h PHE 92 Cb -0.01 -0.17 -0.03 0.00 2.79 0.00 0.00 35.95 38.53 1rjd h PHE 92 CO -0.03 0.58 0.32 -0.07 -2.23 0.00 0.00 178.31 176.88 1rjd h LEU 93 N 0.43 0.39 -0.66 0.59 -0.00 -1.26 0.54 115.31 115.34 1rjd h LEU 93 Ca 0.11 -0.00 0.05 0.00 -0.00 0.00 0.00 57.88 58.05 1rjd h LEU 93 Cb 0.28 -0.09 -0.05 0.00 -0.00 0.00 0.00 40.66 40.80 1rjd h LEU 93 CO -0.00 0.26 0.38 0.58 -0.00 0.00 0.00 178.44 179.65 1rjd h VAL 94 N 0.45 0.99 0.00 1.22 2.07 -1.31 -2.70 116.25 116.96 1rjd h VAL 94 Ca 0.21 -0.24 -0.16 0.00 0.82 0.00 0.00 66.70 67.33 1rjd h VAL 94 Cb 0.25 0.22 -0.02 0.00 -1.52 0.00 0.00 31.29 30.22 1rjd h VAL 94 CO -0.05 0.13 -0.74 0.00 0.02 0.00 0.00 177.57 176.93 1rjd h ALA 95 N 1.34 0.65 -2.86 1.67 0.00 -1.25 -3.43 119.26 115.38 1rjd h ALA 95 Ca 0.29 -0.67 -0.57 0.00 0.00 0.00 0.00 54.91 53.96 1rjd h ALA 95 Cb 0.16 -0.12 -0.40 0.00 0.00 0.00 0.00 17.79 17.43 1rjd h ALA 95 CO -0.17 0.92 -0.79 -0.80 0.00 0.00 0.00 179.25 178.42 1rjd s ASN 96 N -6.67 3.52 0.14 0.00 0.01 0.07 -5.01 114.94 107.00 1rjd s ASN 96 Ca 0.01 -1.88 -0.19 0.00 -0.71 0.00 0.00 52.86 50.09 1rjd s ASN 96 Cb 0.10 -0.62 0.02 0.00 0.41 0.00 0.00 41.25 41.17 1rjd s ASN 96 CO 0.78 -0.36 1.69 -0.08 -1.51 0.00 0.00 177.10 177.62 1rjd h GLU 97 N 7.62 0.01 -5.07 -0.60 4.81 -1.85 -3.40 114.58 116.10 1rjd h GLU 97 Ca -0.07 -0.00 -0.62 0.00 -0.13 0.00 0.00 59.36 58.53 1rjd h GLU 97 Cb 0.98 -0.00 -0.16 0.00 0.63 0.00 0.00 28.75 30.20 1rjd h GLU 97 CO 0.40 0.01 -0.53 0.21 -0.73 0.00 0.00 179.01 178.38 1rjd s LYS 98 N -6.20 4.00 0.09 1.92 2.20 -1.26 -4.43 119.74 116.06 1rjd s LYS 98 Ca -0.14 -0.31 -0.07 0.00 -0.36 0.00 0.00 55.97 55.10 1rjd s LYS 98 Cb 0.12 -3.49 -0.01 0.00 -1.51 0.00 0.00 37.83 32.94 1rjd s LYS 98 CO 0.69 0.03 0.15 0.08 -0.36 0.00 0.00 175.35 175.94 1rjd s VAL 99 N 1.11 0.15 -0.07 4.02 1.01 -0.99 -4.19 120.40 121.45 1rjd s VAL 99 Ca 0.07 -1.34 0.04 0.00 0.00 0.00 0.00 61.98 60.74 1rjd s VAL 99 Cb -0.14 -1.43 0.00 0.00 0.00 0.00 0.00 36.38 34.82 1rjd s VAL 99 CO 0.05 -0.69 -0.19 0.00 0.00 0.00 0.00 175.10 174.26 1rjd s GLN 100 N -3.89 2.30 -0.13 2.72 -2.07 -0.36 -1.46 119.66 116.78 1rjd s GLN 100 Ca 0.07 -0.67 -0.03 0.00 -1.82 0.00 0.00 55.36 52.90 1rjd s GLN 100 Cb 0.05 -1.84 -0.03 0.00 -1.09 0.00 0.00 33.01 30.10 1rjd s GLN 100 CO -0.10 0.16 -0.02 0.08 -1.32 0.00 0.00 175.29 174.09 1rjd s VAL 101 N 0.34 4.05 -0.27 3.63 1.01 0.32 -1.22 120.40 128.26 1rjd s VAL 101 Ca -0.13 -0.31 0.03 0.00 0.00 0.00 0.00 61.98 61.56 1rjd s VAL 101 Cb -0.16 -2.75 0.07 0.00 0.00 0.00 0.00 36.38 33.54 1rjd s VAL 101 CO 0.05 0.52 -0.07 -0.69 0.00 0.00 0.00 175.10 174.92 1rjd s VAL 102 N -0.02 2.02 -0.45 2.92 1.01 -0.15 -0.24 120.40 125.50 1rjd s VAL 102 Ca 0.02 -1.67 -0.17 0.00 0.00 0.00 0.00 61.98 60.16 1rjd s VAL 102 Cb -0.13 -2.23 0.04 0.00 0.00 0.00 0.00 36.38 34.06 1rjd s VAL 102 CO 0.02 -0.16 0.45 0.21 0.00 0.00 0.00 175.10 175.63 1rjd s ASN 103 N 1.14 6.18 -0.18 3.32 3.84 -0.07 -1.16 114.94 128.01 1rjd s ASN 103 Ca -0.05 -0.94 -0.23 0.00 0.21 0.00 0.00 52.86 51.86 1rjd s ASN 103 Cb -0.20 -2.22 -0.02 0.00 -0.55 0.00 0.00 41.25 38.26 1rjd s ASN 103 CO -0.06 -0.65 0.71 -0.76 -2.79 0.00 0.00 177.10 173.54 1rjd s LEU 104 N 2.05 4.16 -1.10 3.21 1.43 0.09 -1.81 118.68 126.71 1rjd s LEU 104 Ca 0.10 0.97 -0.02 0.00 -1.03 0.00 0.00 54.13 54.15 1rjd s LEU 104 Cb -0.20 -3.03 -0.02 0.00 0.03 0.00 0.00 46.19 42.98 1rjd s LEU 104 CO 0.11 -0.32 0.93 0.61 0.23 0.00 0.00 176.35 177.91 1rjd n GLY 105 N 3.65 -0.56 0.24 -3.19 0.00 0.01 -4.39 105.19 100.94 1rjd n GLY 105 Ca 0.01 0.22 0.10 0.00 0.00 0.00 0.00 46.02 46.35 1rjd n GLY 105 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rjd n GLY 107 N -0.32 2.62 0.85 0.00 0.00 -1.26 -2.09 105.19 104.98 1rjd n GLY 107 Ca -0.01 -0.06 0.06 0.00 0.00 0.00 0.00 46.02 46.00 1rjd n GLY 107 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1rjd n SER 108 N 1.42 2.43 -4.70 1.61 7.64 -1.26 -4.97 113.62 115.79 1rjd n SER 108 Ca 0.00 -2.12 -0.43 0.00 1.01 0.00 0.00 58.87 57.33 1rjd n SER 108 Cb 0.00 -0.34 -0.02 0.00 -1.01 0.00 0.00 64.21 62.84 1rjd n SER 108 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1rjd n ASP 109 N 0.58 3.30 -0.38 6.43 2.03 -0.89 -4.90 116.55 122.71 1rjd n ASP 109 Ca 0.14 1.14 0.07 0.00 0.52 0.00 0.00 54.79 56.65 1rjd n ASP 109 Cb 0.43 -1.50 0.15 0.00 -0.72 0.00 0.00 41.12 39.48 1rjd n ASP 109 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1rjd n LEU 110 N 2.31 2.82 0.23 -2.67 4.77 -1.26 -4.71 117.00 118.49 1rjd n LEU 110 Ca 0.11 -2.71 0.16 0.00 -0.03 0.00 0.00 56.01 53.54 1rjd n LEU 110 Cb 0.34 -0.35 0.72 0.00 -2.33 0.00 0.00 43.42 41.79 1rjd n LEU 110 CO 0.63 0.66 0.96 0.08 -1.33 0.00 0.00 177.39 178.40 1rjd h ARG 111 N 0.83 0.00 -0.29 3.23 0.11 -1.99 -1.66 114.38 114.60 1rjd h ARG 111 Ca 0.00 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 60.08 1rjd h ARG 111 Cb 1.00 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.07 1rjd h ARG 111 CO 0.07 0.00 0.18 0.00 0.10 0.00 0.00 179.97 180.31 1rjd h MET 112 N 0.00 0.39 0.18 0.08 -0.00 -2.00 -3.17 114.93 110.41 1rjd h MET 112 Ca 0.00 -0.03 -0.01 0.00 -0.00 0.00 0.00 59.70 59.66 1rjd h MET 112 Cb 0.26 -0.09 0.00 0.00 -0.00 0.00 0.00 31.60 31.78 1rjd h MET 112 CO 0.00 0.27 -0.09 -0.07 -0.00 0.00 0.00 176.91 177.02 1rjd h LEU 113 N 0.40 -0.20 -0.92 -0.10 3.38 -1.68 0.31 115.31 116.49 1rjd h LEU 113 Ca 0.11 -0.07 -0.08 0.00 0.09 0.00 0.00 57.88 57.93 1rjd h LEU 113 Cb -0.02 0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 1rjd h LEU 113 CO -0.02 -0.06 -0.04 -0.65 0.09 0.00 0.00 178.44 177.75 1rjd h PRO 114 N -0.33 0.74 -0.61 1.13 0.11 -1.76 -2.96 132.00 128.32 1rjd h PRO 114 Ca -0.02 -0.21 -0.03 0.00 0.11 0.00 0.00 66.00 65.85 1rjd h PRO 114 Cb 0.26 -0.08 -0.03 0.00 0.11 0.00 0.00 31.00 31.26 1rjd h PRO 114 CO 0.04 0.78 0.27 -0.07 -0.21 0.00 0.00 178.00 178.82 1rjd h LEU 115 N 0.69 0.82 -1.05 2.35 3.38 -1.46 0.85 115.31 120.89 1rjd h LEU 115 Ca 0.13 -0.15 -0.09 0.00 0.09 0.00 0.00 57.88 57.86 1rjd h LEU 115 Cb 0.49 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 1rjd h LEU 115 CO 0.03 0.74 -0.26 -0.07 0.09 0.00 0.00 178.44 178.97 1rjd h LEU 116 N 0.84 0.37 -0.33 1.67 3.38 -0.90 -0.66 115.31 119.68 1rjd h LEU 116 Ca 0.21 -0.12 -0.19 0.00 0.09 0.00 0.00 57.88 57.87 1rjd h LEU 116 Cb 0.15 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 1rjd h LEU 116 CO -0.02 0.63 -0.84 -0.61 0.09 0.00 0.00 178.44 177.68 1rjd h GLN 117 N 0.33 0.14 0.00 1.13 4.15 -1.25 -3.34 115.11 116.28 1rjd h GLN 117 Ca 0.05 -0.15 -0.24 0.00 0.77 0.00 0.00 58.65 59.08 1rjd h GLN 117 Cb 0.63 0.04 -0.04 0.00 0.21 0.00 0.00 27.48 28.33 1rjd h GLN 117 CO 0.05 0.90 -1.32 0.52 -1.93 0.00 0.00 178.83 177.05 1rjd h MET 118 N 0.08 0.00 -3.52 1.69 2.86 -0.35 -3.43 114.93 112.27 1rjd h MET 118 Ca -0.03 0.00 -0.61 0.00 -2.06 0.00 0.00 59.70 57.00 1rjd h MET 118 Cb 1.46 0.00 -0.40 0.00 0.06 0.00 0.00 31.60 32.72 1rjd h MET 118 CO 0.12 0.71 -0.74 -0.06 1.06 0.00 0.00 176.91 178.00 1rjd s PHE 119 N -2.68 2.18 0.65 -0.22 0.08 -0.30 -5.01 117.98 112.68 1rjd s PHE 119 Ca -0.02 -2.24 0.39 0.00 0.12 0.00 0.00 56.93 55.19 1rjd s PHE 119 Cb 0.09 -2.01 2.18 0.00 -0.57 0.00 0.00 43.02 42.72 1rjd s PHE 119 CO 0.82 -0.85 2.28 -1.00 -0.10 0.00 0.00 175.22 176.37 1rjd h PRO 120 N 7.46 0.00 -0.28 0.24 0.13 -1.84 -2.28 132.00 135.43 1rjd h PRO 120 Ca -0.07 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 65.00 1rjd h PRO 120 Cb 0.98 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.07 1rjd h PRO 120 CO 0.49 0.00 -0.01 0.72 -0.23 0.00 0.00 178.00 178.97 1rjd n HIS 121 N -3.24 0.96 -3.57 1.56 8.25 -1.26 -4.95 115.22 112.97 1rjd n HIS 121 Ca -0.03 -1.11 -0.36 0.00 -0.26 0.00 0.00 57.72 55.96 1rjd n HIS 121 Cb 0.13 -0.37 -0.07 0.00 1.12 0.00 0.00 29.99 30.80 1rjd n HIS 121 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 1rjd s LEU 122 N -2.96 4.24 0.21 2.41 0.20 -0.86 -2.34 118.68 119.58 1rjd s LEU 122 Ca 0.42 0.47 0.09 0.00 0.69 0.00 0.00 54.13 55.80 1rjd s LEU 122 Cb 0.36 -2.33 -0.04 0.00 -0.43 0.00 0.00 46.19 43.75 1rjd s LEU 122 CO 0.06 0.11 -0.04 0.00 -0.29 0.00 0.00 176.35 176.19 1rjd s ALA 123 N 0.44 3.09 -0.06 5.97 0.00 -0.54 -4.87 121.76 125.79 1rjd s ALA 123 Ca 0.15 -1.52 -0.04 0.00 0.00 0.00 0.00 51.96 50.56 1rjd s ALA 123 Cb -0.13 -0.81 0.03 0.00 0.00 0.00 0.00 23.12 22.21 1rjd s ALA 123 CO 0.03 0.39 0.14 -0.47 0.00 0.00 0.00 175.76 175.85 1rjd s TYR 124 N -1.95 -0.16 -0.12 0.00 5.04 0.71 -0.53 117.35 120.35 1rjd s TYR 124 Ca 0.28 0.43 0.01 0.00 -2.44 0.00 0.00 57.07 55.34 1rjd s TYR 124 Cb -0.08 -0.02 0.02 0.00 0.35 0.00 0.00 41.96 42.23 1rjd s TYR 124 CO 0.18 -0.12 -0.13 0.08 -1.34 0.00 0.00 175.55 174.22 1rjd s VAL 125 N 0.64 1.38 -0.21 3.14 1.01 0.67 -0.73 120.40 126.30 1rjd s VAL 125 Ca -0.05 -0.54 -0.08 0.00 0.00 0.00 0.00 61.98 61.31 1rjd s VAL 125 Cb -0.06 -1.30 -0.04 0.00 0.00 0.00 0.00 36.38 34.98 1rjd s VAL 125 CO -0.03 0.42 0.09 -1.81 0.00 0.00 0.00 175.10 173.78 1rjd s ASP 126 N 1.28 5.68 -0.08 3.32 1.01 0.37 -0.89 116.67 127.36 1rjd s ASP 126 Ca -0.01 0.03 0.02 0.00 0.71 0.00 0.00 52.55 53.30 1rjd s ASP 126 Cb -0.14 -2.00 0.01 0.00 1.01 0.00 0.00 42.92 41.81 1rjd s ASP 126 CO -0.05 0.10 -0.14 -0.63 0.21 0.00 0.00 175.17 174.65 1rjd s ILE 127 N 0.84 1.33 0.35 0.77 1.01 -0.75 -0.98 121.20 123.76 1rjd s ILE 127 Ca 0.05 -0.57 -0.11 0.00 0.00 0.00 0.00 60.65 60.01 1rjd s ILE 127 Cb -0.13 -1.21 0.03 0.00 0.01 0.00 0.00 42.46 41.15 1rjd s ILE 127 CO 0.02 0.40 0.64 -0.62 0.00 0.00 0.00 174.94 175.38 1rjd s ASP 128 N 0.76 0.30 0.76 3.58 -1.08 -1.14 -0.81 116.67 119.04 1rjd s ASP 128 Ca -0.12 -1.20 -0.15 0.00 -0.52 0.00 0.00 52.55 50.56 1rjd s ASP 128 Cb -0.16 0.74 0.01 0.00 -1.46 0.00 0.00 42.92 42.06 1rjd s ASP 128 CO 0.03 -1.46 0.85 -1.22 0.52 0.00 0.00 175.17 173.88 1rjd n TYR 129 N -0.52 0.21 -0.20 -5.34 0.53 -1.22 -1.39 117.16 109.23 1rjd n TYR 129 Ca -0.04 0.37 0.01 0.00 -1.02 0.00 0.00 57.90 57.22 1rjd n TYR 129 Cb 0.61 -2.01 0.11 0.00 -1.03 0.00 0.00 39.34 37.01 1rjd n TYR 129 CO 0.00 0.00 0.00 -0.97 -1.02 0.00 0.00 176.86 174.87 1rjd h ASN 130 N -0.56 -0.12 0.14 7.72 -0.73 -1.92 -1.18 115.58 118.92 1rjd h ASN 130 Ca -0.46 0.13 -0.10 0.00 1.87 0.00 0.00 56.30 57.74 1rjd h ASN 130 Cb 1.32 0.21 -0.01 0.00 0.27 0.00 0.00 38.32 40.11 1rjd h ASN 130 CO 0.44 -0.05 -0.34 -0.33 -0.37 0.00 0.00 177.43 176.78 1rjd h GLU 131 N 0.19 0.30 -0.02 6.67 3.07 -1.99 0.09 114.58 122.88 1rjd h GLU 131 Ca 0.32 -0.13 -0.04 0.00 -0.50 0.00 0.00 59.36 59.01 1rjd h GLU 131 Cb 0.50 -0.01 0.00 0.00 -0.84 0.00 0.00 28.75 28.41 1rjd h GLU 131 CO -0.46 0.62 -0.14 0.77 -1.40 0.00 0.00 179.01 178.39 1rjd h SER 132 N 0.26 0.16 0.38 1.42 0.02 -1.75 -3.02 113.55 111.03 1rjd h SER 132 Ca 0.03 -0.69 -0.08 0.00 -0.84 0.00 0.00 61.79 60.22 1rjd h SER 132 Cb 0.74 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 63.22 1rjd h SER 132 CO 0.06 0.82 -0.38 -0.37 -1.14 0.00 0.00 176.83 175.81 1rjd h VAL 133 N -0.49 1.28 -0.40 2.27 -1.51 -1.08 -1.83 116.25 114.49 1rjd h VAL 133 Ca -0.01 -1.32 -0.00 0.00 -1.23 0.00 0.00 66.70 64.14 1rjd h VAL 133 Cb 0.82 1.71 -0.02 0.00 -2.13 0.00 0.00 31.29 31.68 1rjd h VAL 133 CO 0.03 0.38 0.24 -0.33 -1.23 0.00 0.00 177.57 176.66 1rjd h GLU 134 N 0.00 0.54 -0.63 5.19 4.39 -1.03 0.13 114.58 123.17 1rjd h GLU 134 Ca -0.00 -0.05 -0.06 0.00 0.34 0.00 0.00 59.36 59.59 1rjd h GLU 134 Cb 0.68 -0.11 -0.03 0.00 -0.10 0.00 0.00 28.75 29.19 1rjd h GLU 134 CO 0.05 0.40 0.17 1.25 -1.16 0.00 0.00 179.01 179.72 1rjd h LEU 135 N 0.53 0.95 -0.54 1.33 5.85 -1.35 -1.79 115.31 120.28 1rjd h LEU 135 Ca 0.14 -0.22 -0.01 0.00 0.84 0.00 0.00 57.88 58.62 1rjd h LEU 135 Cb -0.00 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 40.75 1rjd h LEU 135 CO -0.03 0.92 0.28 0.50 -0.34 0.00 0.00 178.44 179.77 1rjd h LYS 136 N 0.92 0.76 -0.51 1.25 3.64 -0.93 -0.92 116.57 120.79 1rjd h LYS 136 Ca 0.20 -0.10 0.04 0.00 -1.27 0.00 0.00 60.65 59.52 1rjd h LYS 136 Cb 0.34 -0.14 -0.04 0.00 -0.41 0.00 0.00 32.23 31.97 1rjd h LYS 136 CO -0.00 0.61 0.26 -0.97 -2.27 0.00 0.00 179.45 177.08 1rjd h ASN 137 N 0.72 0.38 -0.57 4.20 -1.24 -0.62 -0.57 115.58 117.88 1rjd h ASN 137 Ca 0.19 0.03 0.04 0.00 0.71 0.00 0.00 56.30 57.26 1rjd h ASN 137 Cb 0.08 -0.04 -0.04 0.00 0.73 0.00 0.00 38.32 39.04 1rjd h ASN 137 CO -0.03 0.26 0.33 0.28 -1.29 0.00 0.00 177.43 176.98 1rjd h SER 138 N 0.51 0.51 -0.06 1.15 0.02 -0.89 -1.80 113.55 112.99 1rjd h SER 138 Ca 0.22 0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 61.18 1rjd h SER 138 Cb 0.13 -0.09 -0.00 0.00 0.14 0.00 0.00 62.40 62.57 1rjd h SER 138 CO -0.15 0.35 -0.01 0.40 -1.14 0.00 0.00 176.83 176.28 1rjd h ILE 139 N 0.64 1.28 -0.64 3.27 2.04 -0.59 -1.48 117.51 122.02 1rjd h ILE 139 Ca 0.24 -0.86 0.00 0.00 1.00 0.00 0.00 64.86 65.24 1rjd h ILE 139 Cb 0.08 1.74 -0.03 0.00 -0.74 0.00 0.00 36.82 37.87 1rjd h ILE 139 CO -0.13 0.24 0.42 -0.07 0.00 0.00 0.00 178.15 178.60 1rjd h LEU 140 N -0.21 0.74 0.00 1.44 3.38 -1.03 -2.37 115.31 117.26 1rjd h LEU 140 Ca 0.02 -0.02 -0.16 0.00 0.09 0.00 0.00 57.88 57.80 1rjd h LEU 140 Cb 0.38 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.92 1rjd h LEU 140 CO 0.00 0.55 -0.96 0.03 0.09 0.00 0.00 178.44 178.15 1rjd h ARG 141 N 0.88 0.00 0.13 1.13 3.08 -1.27 -2.39 114.38 115.93 1rjd h ARG 141 Ca 0.23 0.00 -0.30 0.00 0.07 0.00 0.00 59.98 59.98 1rjd h ARG 141 Cb -0.09 0.00 0.03 0.00 0.08 0.00 0.00 29.97 29.99 1rjd h ARG 141 CO -0.05 0.56 -1.26 1.49 -1.07 0.00 0.00 179.97 179.64 1rjd h GLU 142 N 0.00 0.62 -6.21 0.04 4.57 -0.99 -3.41 114.58 109.20 1rjd h GLU 142 Ca -0.07 -0.84 -0.56 0.00 -1.18 0.00 0.00 59.36 56.71 1rjd h GLU 142 Cb 1.58 0.28 -0.03 0.00 -0.16 0.00 0.00 28.75 30.42 1rjd h GLU 142 CO 0.08 1.38 0.88 0.45 -1.18 0.00 0.00 179.01 180.62 1rjd s SER 143 N -7.44 6.92 0.13 1.04 0.15 -0.92 -4.93 113.70 108.66 1rjd s SER 143 Ca -0.09 1.81 -0.22 0.00 0.70 0.00 0.00 55.95 58.15 1rjd s SER 143 Cb 0.06 -2.54 -0.01 0.00 -1.71 0.00 0.00 66.02 61.81 1rjd s SER 143 CO 0.93 -0.75 1.67 -0.08 1.20 0.00 0.00 173.24 176.22 1rjd h GLU 144 N 8.19 -0.16 -0.83 5.44 4.81 -1.88 0.40 114.58 130.55 1rjd h GLU 144 Ca -0.30 0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 58.92 1rjd h GLU 144 Cb 1.13 0.04 -0.04 0.00 0.63 0.00 0.00 28.75 30.51 1rjd h GLU 144 CO 0.95 -0.11 0.43 0.97 -0.73 0.00 0.00 179.01 180.52 1rjd h ILE 145 N -0.17 1.25 -0.17 2.32 2.10 -1.94 -1.21 117.51 119.69 1rjd h ILE 145 Ca 0.10 -0.65 -0.04 0.00 1.08 0.00 0.00 64.86 65.35 1rjd h ILE 145 Cb 0.32 0.17 -0.01 0.00 -1.09 0.00 0.00 36.82 36.21 1rjd h ILE 145 CO -0.25 0.29 -0.05 -0.07 -1.08 0.00 0.00 178.15 176.98 1rjd h LEU 146 N 1.16 0.34 -0.51 2.19 3.38 -1.75 -2.06 115.31 118.05 1rjd h LEU 146 Ca 0.29 -0.38 0.10 0.00 0.09 0.00 0.00 57.88 57.98 1rjd h LEU 146 Cb 0.07 -0.09 -0.10 0.00 0.09 0.00 0.00 40.66 40.62 1rjd h LEU 146 CO -0.04 0.64 -0.16 0.03 0.09 0.00 0.00 178.44 179.00 1rjd h ARG 147 N 0.03 -0.04 -0.67 1.13 3.08 -0.37 -2.38 114.38 115.17 1rjd h ARG 147 Ca 0.04 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.07 1rjd h ARG 147 Cb 0.50 0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.53 1rjd h ARG 147 CO 0.02 -0.03 0.34 0.82 -1.07 0.00 0.00 179.97 180.05 1rjd h ILE 148 N -0.04 1.22 -0.07 2.04 2.04 -1.11 0.67 117.51 122.27 1rjd h ILE 148 Ca 0.25 -0.59 0.02 0.00 1.00 0.00 0.00 64.86 65.53 1rjd h ILE 148 Cb 0.42 0.38 -0.00 0.00 -0.74 0.00 0.00 36.82 36.88 1rjd h ILE 148 CO -0.55 0.25 0.05 0.77 0.00 0.00 0.00 178.15 178.67 1rjd h SER 149 N 0.92 0.00 -0.19 1.72 4.64 -0.87 -2.22 113.55 117.55 1rjd h SER 149 Ca 0.23 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.55 1rjd h SER 149 Cb 0.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.18 1rjd h SER 149 CO -0.03 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 176.11 1rjd n LEU 150 N -4.51 2.55 -3.23 5.97 4.77 -0.98 -4.97 117.00 116.60 1rjd n LEU 150 Ca -0.01 -1.45 -0.22 0.00 -0.03 0.00 0.00 56.01 54.30 1rjd n LEU 150 Cb 0.15 -0.12 0.07 0.00 -2.33 0.00 0.00 43.42 41.19 1rjd n LEU 150 CO 0.34 0.56 0.18 0.61 -1.33 0.00 0.00 177.39 177.75 1rjd n GLY 151 N 0.72 -0.43 3.93 -0.72 0.00 -0.35 -4.91 105.19 103.44 1rjd n GLY 151 Ca 0.10 0.16 -0.25 0.00 0.00 0.00 0.00 46.02 46.03 1rjd n GLY 151 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1rjd s LEU 152 N -6.67 3.63 0.14 0.99 1.43 0.08 -5.02 118.68 113.26 1rjd s LEU 152 Ca 0.49 0.61 0.01 0.00 -1.03 0.00 0.00 54.13 54.20 1rjd s LEU 152 Cb -0.21 -3.50 -0.04 0.00 0.03 0.00 0.00 46.19 42.47 1rjd s LEU 152 CO 0.60 -0.66 0.30 -0.44 0.23 0.00 0.00 176.35 176.38 1rjd s SER 153 N -4.16 6.37 0.57 2.29 0.01 -1.26 -4.78 113.70 112.73 1rjd s SER 153 Ca 0.47 0.28 0.35 0.00 1.31 0.00 0.00 55.95 58.36 1rjd s SER 153 Cb -0.10 -1.96 1.55 0.00 0.21 0.00 0.00 66.02 65.72 1rjd s SER 153 CO 0.41 0.06 2.05 0.07 0.41 0.00 0.00 173.24 176.24 1rjd h LYS 154 N 2.38 0.00 -5.91 12.44 -0.00 -1.99 -3.45 116.57 120.04 1rjd h LYS 154 Ca -0.47 0.00 -0.62 0.00 -0.00 0.00 0.00 60.65 59.55 1rjd h LYS 154 Cb 1.18 0.00 -0.05 0.00 -0.00 0.00 0.00 32.23 33.37 1rjd h LYS 154 CO 0.70 0.01 -0.42 -1.21 -0.00 0.00 0.00 179.45 178.54 1rjd s GLU 155 N -3.77 3.53 -0.57 0.07 2.02 -1.26 -4.76 118.70 113.95 1rjd s GLU 155 Ca -0.00 -0.19 -0.27 0.00 0.02 0.00 0.00 54.97 54.53 1rjd s GLU 155 Cb 0.10 -3.05 -0.02 0.00 0.10 0.00 0.00 34.13 31.26 1rjd s GLU 155 CO 0.52 0.63 1.79 -0.51 0.02 0.00 0.00 175.26 177.71 1rjd s ASP 156 N -1.96 5.47 -0.01 -0.19 1.01 -1.26 -4.76 116.67 114.98 1rjd s ASP 156 Ca 0.30 0.43 0.01 0.00 0.71 0.00 0.00 52.55 54.00 1rjd s ASP 156 Cb -0.13 -2.53 0.01 0.00 1.01 0.00 0.00 42.92 41.28 1rjd s ASP 156 CO 0.19 -2.20 0.92 0.35 0.21 0.00 0.00 175.17 174.64 1rjd n THR 157 N 7.17 0.86 -2.20 -1.27 -2.24 -1.26 -5.06 114.28 110.29 1rjd n THR 157 Ca 0.19 -0.88 -0.33 0.00 -2.27 0.00 0.00 64.05 60.76 1rjd n THR 157 Cb 0.51 0.55 -0.01 0.00 -2.10 0.00 0.00 70.33 69.28 1rjd n THR 157 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1rjd s ALA 158 N -0.91 2.82 -0.01 6.98 0.00 -1.26 -5.03 121.76 124.34 1rjd s ALA 158 Ca 0.02 0.40 -0.16 0.00 0.00 0.00 0.00 51.96 52.22 1rjd s ALA 158 Cb 0.01 -3.22 -0.06 0.00 0.00 0.00 0.00 23.12 19.86 1rjd s ALA 158 CO 0.00 -0.62 0.45 0.15 0.00 0.00 0.00 175.76 175.74 1rjd s LYS 159 N -3.91 4.06 0.39 0.00 3.01 -1.26 -4.89 119.74 117.14 1rjd s LYS 159 Ca 0.64 0.48 -0.24 0.00 -1.01 0.00 0.00 55.97 55.84 1rjd s LYS 159 Cb -0.15 -3.27 -0.12 0.00 -1.01 0.00 0.00 37.83 33.28 1rjd s LYS 159 CO 0.33 0.58 0.76 0.45 0.51 0.00 0.00 175.35 177.98 1rjd n SER 160 N 2.16 0.10 -1.42 2.83 2.88 -1.26 -1.04 113.62 117.86 1rjd n SER 160 Ca -0.12 1.00 -0.04 0.00 -1.33 0.00 0.00 58.87 58.38 1rjd n SER 160 Cb 0.52 -1.21 0.15 0.00 -0.75 0.00 0.00 64.21 62.93 1rjd n SER 160 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1rjd n PRO 161 N 0.48 2.37 -4.48 -1.46 -0.04 -1.26 -5.09 135.00 125.52 1rjd n PRO 161 Ca 0.11 -1.59 -0.33 0.00 -0.04 0.00 0.00 63.50 61.65 1rjd n PRO 161 Cb 0.37 -1.76 -0.10 0.00 -0.04 0.00 0.00 33.50 31.97 1rjd n PRO 161 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1rjd s PHE 162 N -1.81 2.92 -0.10 0.54 0.40 -0.21 -4.07 117.98 115.65 1rjd s PHE 162 Ca 0.29 -0.01 0.02 0.00 -0.60 0.00 0.00 56.93 56.62 1rjd s PHE 162 Cb 0.23 -1.64 -0.25 0.00 0.51 0.00 0.00 43.02 41.88 1rjd s PHE 162 CO 0.07 0.37 0.45 1.28 0.70 0.00 0.00 175.22 178.09 1rjd n LEU 163 N 1.69 1.92 -4.10 -0.37 4.77 -0.34 -4.04 117.00 116.53 1rjd n LEU 163 Ca -0.16 0.27 -0.24 0.00 -0.03 0.00 0.00 56.01 55.85 1rjd n LEU 163 Cb 0.53 -0.58 -0.16 0.00 -2.33 0.00 0.00 43.42 40.87 1rjd n LEU 163 CO 0.30 0.67 -0.48 -0.63 -1.33 0.00 0.00 177.39 175.92 1rjd s ILE 164 N -2.57 1.22 -0.44 -0.08 1.01 -1.11 -4.32 121.20 114.90 1rjd s ILE 164 Ca -0.16 -0.61 0.06 0.00 0.00 0.00 0.00 60.65 59.94 1rjd s ILE 164 Cb 0.07 -1.05 0.22 0.00 0.01 0.00 0.00 42.46 41.71 1rjd s ILE 164 CO 0.79 0.36 0.62 -0.67 0.00 0.00 0.00 174.94 176.03 1rjd n ASP 165 N 3.09 -1.46 -3.74 3.58 -0.08 -1.26 -1.22 116.55 115.45 1rjd n ASP 165 Ca -0.17 -2.83 -0.30 0.00 -1.51 0.00 0.00 54.79 49.98 1rjd n ASP 165 Cb 0.54 0.48 -0.14 0.00 2.34 0.00 0.00 41.12 44.34 1rjd n ASP 165 CO 0.00 0.00 0.00 -1.58 0.12 0.00 0.00 177.20 175.74 1rjd s GLN 166 N -0.04 1.23 5.31 -0.67 2.00 -0.75 -5.02 119.66 121.72 1rjd s GLN 166 Ca 0.33 -1.86 0.00 0.00 -2.00 0.00 0.00 55.36 51.83 1rjd s GLN 166 Cb 0.13 -2.37 0.00 0.00 0.80 0.00 0.00 33.01 31.57 1rjd s GLN 166 CO -0.16 -1.11 0.00 0.41 -0.50 0.00 0.00 175.29 173.93 1rjd n GLY 167 N 3.80 1.56 0.91 2.59 0.00 -1.26 -2.95 105.19 109.85 1rjd n GLY 167 Ca 0.06 -0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.15 1rjd n GLY 167 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1rjd n ARG 168 N 0.00 3.06 -4.50 1.61 1.74 -1.26 -4.91 116.66 112.40 1rjd n ARG 168 Ca 0.00 -2.49 -0.25 0.00 -0.77 0.00 0.00 57.85 54.35 1rjd n ARG 168 Cb 0.00 -1.59 -0.17 0.00 -1.02 0.00 0.00 32.46 29.69 1rjd n ARG 168 CO 0.00 0.00 0.00 -0.47 -1.52 0.00 0.00 177.63 175.64 1rjd s TYR 169 N -1.78 1.44 0.04 -1.55 5.04 -1.15 -0.21 117.35 119.18 1rjd s TYR 169 Ca 0.35 -0.55 0.08 0.00 -2.44 0.00 0.00 57.07 54.51 1rjd s TYR 169 Cb 0.24 -1.08 -0.03 0.00 0.35 0.00 0.00 41.96 41.44 1rjd s TYR 169 CO 0.15 -0.30 -0.23 0.15 -1.34 0.00 0.00 175.55 173.98 1rjd s LYS 170 N 0.79 1.61 -0.11 4.97 1.02 0.09 -1.82 119.74 126.29 1rjd s LYS 170 Ca -0.12 -0.99 0.00 0.00 0.02 0.00 0.00 55.97 54.87 1rjd s LYS 170 Cb -0.15 -1.73 0.02 0.00 -0.52 0.00 0.00 37.83 35.45 1rjd s LYS 170 CO 0.02 0.45 -0.09 -1.17 -0.92 0.00 0.00 175.35 173.64 1rjd s LEU 171 N -1.13 1.32 -0.02 3.17 2.96 -0.36 -0.48 118.68 124.15 1rjd s LEU 171 Ca 0.09 -0.32 -0.04 0.00 -0.22 0.00 0.00 54.13 53.65 1rjd s LEU 171 Cb -0.09 -0.87 0.00 0.00 0.50 0.00 0.00 46.19 45.73 1rjd s LEU 171 CO 0.02 -0.08 0.08 0.00 -1.32 0.00 0.00 176.35 175.05 1rjd s ALA 172 N 1.48 -0.19 0.22 5.97 0.00 -0.15 -1.20 121.76 127.88 1rjd s ALA 172 Ca 0.01 0.06 -0.29 0.00 0.00 0.00 0.00 51.96 51.74 1rjd s ALA 172 Cb -0.13 -0.06 -0.09 0.00 0.00 0.00 0.00 23.12 22.85 1rjd s ALA 172 CO -0.06 -0.09 0.89 0.00 0.00 0.00 0.00 175.76 176.50 1rjd s ALA 173 N -0.45 3.37 -0.26 0.00 0.00 -1.26 -2.87 121.76 120.29 1rjd s ALA 173 Ca -0.05 0.55 -0.26 0.00 0.00 0.00 0.00 51.96 52.20 1rjd s ALA 173 Cb -0.03 -3.14 0.13 0.00 0.00 0.00 0.00 23.12 20.07 1rjd s ALA 173 CO 0.00 0.23 1.05 0.00 0.00 0.00 0.00 175.76 177.04 1rjd s ASP 175 N -0.01 6.31 0.00 0.00 -1.08 -1.26 -3.46 116.67 117.17 1rjd s ASP 175 Ca 0.03 -0.42 0.16 0.00 -0.52 0.00 0.00 52.55 51.80 1rjd s ASP 175 Cb -0.04 -2.32 0.81 0.00 -1.46 0.00 0.00 42.92 39.90 1rjd s ASP 175 CO -0.05 -0.82 1.45 0.18 0.52 0.00 0.00 175.17 176.44 1rjd n LEU 176 N 6.33 0.00 -0.02 -1.34 4.77 -1.26 -1.66 117.00 123.82 1rjd n LEU 176 Ca -0.02 0.27 0.14 0.00 -0.03 0.00 0.00 56.01 56.37 1rjd n LEU 176 Cb 0.47 -0.27 0.59 0.00 -2.33 0.00 0.00 43.42 41.88 1rjd n LEU 176 CO 0.54 -0.13 0.88 0.59 -1.33 0.00 0.00 177.39 177.94 1rjd n ASN 177 N -1.27 0.17 -4.17 -1.43 5.03 -1.26 -4.48 115.26 107.84 1rjd n ASN 177 Ca 0.08 0.02 -0.40 0.00 0.87 0.00 0.00 54.58 55.15 1rjd n ASN 177 Cb 0.12 -0.25 -0.08 0.00 -1.02 0.00 0.00 39.78 38.55 1rjd n ASN 177 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 1rjd s ASP 178 N -2.79 5.67 0.43 6.41 -1.08 -0.66 -4.96 116.67 119.69 1rjd s ASP 178 Ca 0.20 -2.57 0.11 0.00 -0.52 0.00 0.00 52.55 49.77 1rjd s ASP 178 Cb 0.19 -1.96 0.93 0.00 -1.46 0.00 0.00 42.92 40.62 1rjd s ASP 178 CO 0.53 -0.49 2.00 -0.29 0.52 0.00 0.00 175.17 177.43 1rjd h ILE 179 N 5.41 1.12 0.18 4.11 6.09 -1.82 -2.04 117.51 130.57 1rjd h ILE 179 Ca -0.04 -0.50 -0.01 0.00 -1.37 0.00 0.00 64.86 62.94 1rjd h ILE 179 Cb 1.00 1.07 0.00 0.00 0.47 0.00 0.00 36.82 39.37 1rjd h ILE 179 CO 0.75 0.16 -0.09 0.74 -3.07 0.00 0.00 178.15 176.65 1rjd h THR 180 N 0.20 0.87 -0.71 2.19 2.02 -1.94 -0.76 112.91 114.78 1rjd h THR 180 Ca 0.05 -0.24 0.11 0.00 0.77 0.00 0.00 66.41 67.09 1rjd h THR 180 Cb 0.22 1.02 -0.08 0.00 -1.74 0.00 0.00 68.15 67.57 1rjd h THR 180 CO 0.01 0.06 0.31 -0.08 0.37 0.00 0.00 175.52 176.19 1rjd h GLU 181 N -0.36 0.49 -0.15 6.66 4.81 -1.83 -1.62 114.58 122.57 1rjd h GLU 181 Ca -0.03 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.16 1rjd h GLU 181 Cb 0.28 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.54 1rjd h GLU 181 CO 0.04 0.33 0.03 1.15 -0.73 0.00 0.00 179.01 179.82 1rjd h THR 182 N 0.51 1.22 -0.70 0.32 2.02 -1.18 -1.39 112.91 113.71 1rjd h THR 182 Ca 0.37 -0.71 -0.03 0.00 0.77 0.00 0.00 66.41 66.81 1rjd h THR 182 Cb 0.47 1.39 -0.03 0.00 -1.74 0.00 0.00 68.15 68.24 1rjd h THR 182 CO -0.32 0.21 0.32 0.71 0.37 0.00 0.00 175.52 176.81 1rjd h THR 183 N 0.04 1.24 -0.96 3.16 1.35 -0.94 -0.57 112.91 116.22 1rjd h THR 183 Ca 0.05 -0.69 0.05 0.00 -0.55 0.00 0.00 66.41 65.26 1rjd h THR 183 Cb 0.30 0.39 -0.06 0.00 -1.73 0.00 0.00 68.15 67.05 1rjd h THR 183 CO 0.00 0.28 0.63 0.03 -0.25 0.00 0.00 175.52 176.22 1rjd h ARG 184 N 0.99 1.15 -0.04 4.72 3.08 -1.14 -0.81 114.38 122.34 1rjd h ARG 184 Ca 0.24 -0.07 -0.02 0.00 0.07 0.00 0.00 59.98 60.20 1rjd h ARG 184 Cb 0.15 -0.26 0.00 0.00 0.08 0.00 0.00 29.97 29.94 1rjd h ARG 184 CO -0.03 0.76 -0.07 1.25 -1.07 0.00 0.00 179.97 180.82 1rjd h LEU 185 N 1.18 0.12 -1.59 3.04 5.85 -0.90 -3.11 115.31 119.90 1rjd h LEU 185 Ca 0.39 -0.56 0.10 0.00 0.84 0.00 0.00 57.88 58.66 1rjd h LEU 185 Cb 0.06 -0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.02 1rjd h LEU 185 CO -0.13 0.65 0.42 -0.07 -0.34 0.00 0.00 178.44 178.97 1rjd h LEU 186 N -0.41 0.41 -1.79 2.25 3.38 -0.79 -0.93 115.31 117.44 1rjd h LEU 186 Ca 0.00 0.01 0.05 0.00 0.09 0.00 0.00 57.88 58.03 1rjd h LEU 186 Cb 0.63 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.29 1rjd h LEU 186 CO 0.01 0.25 0.25 0.44 0.09 0.00 0.00 178.44 179.48 1rjd h ASP 187 N 0.46 0.23 -0.15 -0.43 3.32 -1.08 -1.91 116.42 116.86 1rjd h ASP 187 Ca 0.29 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.34 1rjd h ASP 187 Cb 0.53 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.03 1rjd h ASP 187 CO -0.09 0.16 0.00 1.33 -1.72 0.00 0.00 179.24 178.92 1rjd n VAL 188 N -4.48 0.19 -0.50 -1.35 0.24 -0.37 -4.45 118.33 107.63 1rjd n VAL 188 Ca 0.04 -0.60 0.00 0.00 -2.04 0.00 0.00 64.34 61.74 1rjd n VAL 188 Cb 0.24 1.25 0.00 0.00 -1.47 0.00 0.00 33.84 33.86 1rjd n VAL 188 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1rjd s THR 190 N -0.25 0.02 -0.00 0.00 -4.23 -0.74 -4.96 115.64 105.48 1rjd s THR 190 Ca 0.00 -1.69 0.05 0.00 -1.18 0.00 0.00 61.69 58.87 1rjd s THR 190 Cb 0.00 -2.24 -0.01 0.00 1.34 0.00 0.00 72.50 71.58 1rjd s THR 190 CO 0.00 -0.09 -0.15 -0.54 -0.54 0.00 0.00 174.62 173.29 1rjd s LYS 191 N -4.07 1.17 0.27 3.99 1.02 -1.26 -4.70 119.74 116.16 1rjd s LYS 191 Ca 0.28 -0.59 0.01 0.00 0.02 0.00 0.00 55.97 55.69 1rjd s LYS 191 Cb 0.04 -1.15 0.57 0.00 -0.52 0.00 0.00 37.83 36.77 1rjd s LYS 191 CO 0.08 0.31 1.77 -0.09 -0.92 0.00 0.00 175.35 176.50 1rjd h ARG 192 N 5.60 0.68 0.00 1.68 2.43 -1.97 -2.99 114.38 119.81 1rjd h ARG 192 Ca -0.36 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 58.77 1rjd h ARG 192 Cb 1.16 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 30.56 1rjd h ARG 192 CO 0.48 0.45 -0.57 0.39 -1.51 0.00 0.00 179.97 179.21 1rjd n GLU 193 N -4.82 0.18 -2.47 0.20 1.02 -1.26 -1.60 120.64 111.89 1rjd n GLU 193 Ca 0.18 0.05 -0.42 0.00 -0.02 0.00 0.00 57.16 56.96 1rjd n GLU 193 Cb 0.45 -1.61 -0.03 0.00 -0.02 0.00 0.00 31.44 30.22 1rjd n GLU 193 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1rjd s ILE 194 N -3.10 3.99 0.19 -3.67 1.01 -1.13 -4.80 121.20 113.69 1rjd s ILE 194 Ca 0.08 1.54 -0.33 0.00 0.00 0.00 0.00 60.65 61.94 1rjd s ILE 194 Cb 0.15 -3.99 -0.14 0.00 0.01 0.00 0.00 42.46 38.49 1rjd s ILE 194 CO 0.71 0.18 1.40 -2.65 0.00 0.00 0.00 174.94 174.58 1rjd n PRO 195 N 3.26 1.80 -4.89 2.79 -0.02 -1.26 -4.70 135.00 131.98 1rjd n PRO 195 Ca 0.06 0.65 -0.27 0.00 -2.02 0.00 0.00 63.50 61.92 1rjd n PRO 195 Cb 0.46 -2.30 -0.16 0.00 -0.02 0.00 0.00 33.50 31.48 1rjd n PRO 195 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1rjd s THR 196 N 0.25 1.52 -0.18 3.45 2.01 -0.40 -1.22 115.64 121.07 1rjd s THR 196 Ca 0.74 -0.76 -0.04 0.00 0.31 0.00 0.00 61.69 61.93 1rjd s THR 196 Cb -0.73 -1.30 -0.02 0.00 0.01 0.00 0.00 72.50 70.45 1rjd s THR 196 CO 0.46 0.44 -0.02 -0.63 -0.69 0.00 0.00 174.62 174.18 1rjd s ILE 197 N 0.04 3.90 -0.09 1.82 1.01 -0.36 -1.06 121.20 126.46 1rjd s ILE 197 Ca -0.04 -0.34 -0.02 0.00 0.00 0.00 0.00 60.65 60.25 1rjd s ILE 197 Cb -0.12 -2.74 -0.03 0.00 0.01 0.00 0.00 42.46 39.58 1rjd s ILE 197 CO 0.03 0.46 -0.02 -0.69 0.00 0.00 0.00 174.94 174.72 1rjd s VAL 198 N 0.74 4.16 -0.10 2.92 1.01 0.13 -0.98 120.40 128.27 1rjd s VAL 198 Ca -0.01 -0.30 0.02 0.00 0.00 0.00 0.00 61.98 61.69 1rjd s VAL 198 Cb -0.14 -2.75 0.01 0.00 0.00 0.00 0.00 36.38 33.50 1rjd s VAL 198 CO 0.02 0.59 -0.15 -0.63 0.00 0.00 0.00 175.10 174.93 1rjd s ILE 199 N -0.68 1.47 -0.39 2.22 1.01 -0.31 -0.66 121.20 123.86 1rjd s ILE 199 Ca 0.11 -0.63 0.01 0.00 0.00 0.00 0.00 60.65 60.14 1rjd s ILE 199 Cb -0.12 -1.34 0.12 0.00 0.01 0.00 0.00 42.46 41.14 1rjd s ILE 199 CO 0.02 0.43 0.17 -0.94 0.00 0.00 0.00 174.94 174.63 1rjd s SER 200 N 0.90 3.87 -0.45 3.58 1.04 -0.57 -0.73 113.70 121.34 1rjd s SER 200 Ca -0.09 -2.25 -0.14 0.00 0.48 0.00 0.00 55.95 53.96 1rjd s SER 200 Cb -0.15 -1.02 0.06 0.00 0.10 0.00 0.00 66.02 65.01 1rjd s SER 200 CO -0.00 -0.33 0.34 -0.70 0.98 0.00 0.00 173.24 173.53 1rjd s GLU 201 N 0.83 2.89 -1.47 4.02 2.12 -1.26 -1.91 118.70 123.93 1rjd s GLU 201 Ca 0.14 -1.31 -0.08 0.00 0.36 0.00 0.00 54.97 54.08 1rjd s GLU 201 Cb -0.22 -4.01 0.06 0.00 0.26 0.00 0.00 34.13 30.22 1rjd s GLU 201 CO -0.09 -0.95 0.81 0.00 -0.54 0.00 0.00 175.26 174.49 1rjd n LEU 203 N -4.50 1.46 0.24 0.00 7.94 -1.26 -4.73 117.00 116.15 1rjd n LEU 203 Ca -0.10 0.24 0.10 0.00 -1.11 0.00 0.00 56.01 55.14 1rjd n LEU 203 Cb 0.59 -0.56 0.63 0.00 0.53 0.00 0.00 43.42 44.60 1rjd n LEU 203 CO 0.74 -0.07 0.93 -0.07 -1.11 0.00 0.00 177.39 177.82 1rjd h LEU 204 N -0.64 0.00 -2.36 -1.96 3.38 -1.88 -1.93 115.31 109.92 1rjd h LEU 204 Ca -0.21 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.76 1rjd h LEU 204 Cb 0.99 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.74 1rjd h LEU 204 CO -0.13 0.16 0.00 0.00 0.09 0.00 0.00 178.44 178.56 1rjd n TYR 206 N -2.87 0.13 -4.32 0.00 4.02 -0.72 -3.78 117.16 109.61 1rjd n TYR 206 Ca -0.02 -0.06 -0.31 0.00 -0.01 0.00 0.00 57.90 57.50 1rjd n TYR 206 Cb 0.10 0.00 -0.10 0.00 -0.02 0.00 0.00 39.34 39.33 1rjd n TYR 206 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 176.86 174.21 1rjd s MET 207 N -1.87 2.42 0.82 -0.72 -1.94 -0.59 -4.82 119.30 112.60 1rjd s MET 207 Ca 0.34 -0.84 -0.11 0.00 -1.71 0.00 0.00 55.69 53.37 1rjd s MET 207 Cb 0.20 -2.45 0.09 0.00 2.01 0.00 0.00 34.83 34.68 1rjd s MET 207 CO 0.31 0.56 1.10 -1.01 -0.01 0.00 0.00 175.02 175.96 1rjd s HIS 208 N -1.13 2.40 0.25 -0.03 3.76 -1.26 -4.44 115.29 114.85 1rjd s HIS 208 Ca 0.20 1.50 -0.02 0.00 -0.15 0.00 0.00 55.06 56.59 1rjd s HIS 208 Cb -0.11 -3.10 0.29 0.00 1.11 0.00 0.00 32.58 30.77 1rjd s HIS 208 CO 0.12 -2.07 1.70 -0.97 -0.85 0.00 0.00 174.74 172.67 1rjd h ASN 209 N -1.33 0.72 0.22 1.40 -0.00 -1.95 -2.06 115.58 112.58 1rjd h ASN 209 Ca -0.45 -0.22 0.01 0.00 -0.00 0.00 0.00 56.30 55.64 1rjd h ASN 209 Cb 1.25 -0.19 -0.03 0.00 -0.00 0.00 0.00 38.32 39.35 1rjd h ASN 209 CO 0.51 0.87 -0.28 -1.13 -0.00 0.00 0.00 177.43 177.40 1rjd h ASN 210 N 0.65 -0.77 -0.41 1.15 -0.73 -1.98 0.57 115.58 114.06 1rjd h ASN 210 Ca 0.11 0.08 -0.12 0.00 1.87 0.00 0.00 56.30 58.24 1rjd h ASN 210 Cb 0.60 0.28 -0.01 0.00 0.27 0.00 0.00 38.32 39.45 1rjd h ASN 210 CO 0.04 -0.39 -0.19 -0.33 -0.37 0.00 0.00 177.43 176.19 1rjd h GLU 211 N -0.56 0.90 -0.17 6.67 3.07 -1.90 0.42 114.58 123.02 1rjd h GLU 211 Ca 0.01 -0.36 -0.14 0.00 -0.50 0.00 0.00 59.36 58.37 1rjd h GLU 211 Cb 0.54 -0.04 0.00 0.00 -0.84 0.00 0.00 28.75 28.41 1rjd h GLU 211 CO -0.10 1.01 -0.45 0.66 -1.40 0.00 0.00 179.01 178.73 1rjd h SER 212 N 0.79 0.68 -0.47 1.42 4.64 -1.31 -0.84 113.55 118.46 1rjd h SER 212 Ca 0.11 -0.58 -0.10 0.00 -0.47 0.00 0.00 61.79 60.75 1rjd h SER 212 Cb 0.73 -0.20 -0.02 0.00 -0.31 0.00 0.00 62.40 62.60 1rjd h SER 212 CO 0.06 1.14 -0.08 -0.61 -0.87 0.00 0.00 176.83 176.47 1rjd h GLN 213 N 0.25 0.93 -0.72 4.77 5.75 -0.73 -0.51 115.11 124.85 1rjd h GLN 213 Ca -0.01 -0.31 -0.03 0.00 -0.15 0.00 0.00 58.65 58.14 1rjd h GLN 213 Cb 1.06 -0.07 -0.03 0.00 1.07 0.00 0.00 27.48 29.51 1rjd h GLN 213 CO 0.10 0.97 0.33 1.25 -2.65 0.00 0.00 178.83 178.82 1rjd h LEU 214 N 0.84 0.96 -0.63 -2.39 5.85 -0.86 -0.98 115.31 118.11 1rjd h LEU 214 Ca 0.14 -0.15 -0.03 0.00 0.84 0.00 0.00 57.88 58.68 1rjd h LEU 214 Cb 0.61 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.36 1rjd h LEU 214 CO 0.04 0.84 0.28 0.25 -0.34 0.00 0.00 178.44 179.51 1rjd h LEU 215 N 1.02 0.84 -0.19 2.25 5.85 -0.73 -1.38 115.31 122.98 1rjd h LEU 215 Ca 0.25 -0.15 -0.02 0.00 0.84 0.00 0.00 57.88 58.79 1rjd h LEU 215 Cb 0.15 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 40.96 1rjd h LEU 215 CO -0.03 0.76 0.02 0.40 -0.34 0.00 0.00 178.44 179.25 1rjd h ILE 216 N 0.87 1.23 -0.44 4.05 2.04 -0.71 -1.94 117.51 122.61 1rjd h ILE 216 Ca 0.21 -0.76 -0.10 0.00 1.00 0.00 0.00 64.86 65.21 1rjd h ILE 216 Cb 0.16 1.37 -0.01 0.00 -0.74 0.00 0.00 36.82 37.59 1rjd h ILE 216 CO -0.02 0.23 -0.11 0.78 0.00 0.00 0.00 178.15 179.03 1rjd h ASN 217 N 0.10 0.86 -0.32 1.72 2.35 -1.10 -1.62 115.58 117.57 1rjd h ASN 217 Ca 0.06 -0.36 -0.08 0.00 -0.55 0.00 0.00 56.30 55.37 1rjd h ASN 217 Cb 0.33 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.45 1rjd h ASN 217 CO 0.00 1.03 -0.09 0.74 -1.65 0.00 0.00 177.43 177.46 1rjd h THR 218 N 0.68 1.28 -0.14 2.81 2.02 -1.23 -1.67 112.91 116.66 1rjd h THR 218 Ca 0.11 -1.15 -0.14 0.00 0.77 0.00 0.00 66.41 65.99 1rjd h THR 218 Cb 0.65 1.37 0.00 0.00 -1.74 0.00 0.00 68.15 68.44 1rjd h THR 218 CO 0.04 0.37 -0.47 0.40 0.37 0.00 0.00 175.52 176.24 1rjd h ILE 219 N 0.40 1.35 -0.56 3.11 2.04 -1.29 -2.25 117.51 120.31 1rjd h ILE 219 Ca 0.08 -1.74 0.02 0.00 1.00 0.00 0.00 64.86 64.22 1rjd h ILE 219 Cb 0.59 2.05 -0.03 0.00 -0.74 0.00 0.00 36.82 38.69 1rjd h ILE 219 CO 0.03 0.53 0.37 0.24 0.00 0.00 0.00 178.15 179.33 1rjd h MET 220 N 0.21 0.67 0.00 2.37 2.86 -1.31 -2.32 114.93 117.40 1rjd h MET 220 Ca -0.02 -0.04 -0.10 0.00 -2.06 0.00 0.00 59.70 57.48 1rjd h MET 220 Cb 1.09 -0.15 -0.01 0.00 0.06 0.00 0.00 31.60 32.59 1rjd h MET 220 CO 0.10 0.44 -0.50 0.77 1.06 0.00 0.00 176.91 178.79 1rjd h SER 221 N 0.69 0.00 1.65 1.22 0.02 -1.19 -3.32 113.55 112.62 1rjd h SER 221 Ca 0.22 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 61.10 1rjd h SER 221 Cb 0.02 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.55 1rjd h SER 221 CO -0.05 0.50 -0.36 0.50 -1.14 0.00 0.00 176.83 176.27 1rjd h LYS 222 N 0.00 0.00 -5.61 3.45 3.64 -0.83 -3.44 116.57 113.78 1rjd h LYS 222 Ca -0.00 0.00 -0.68 0.00 -1.27 0.00 0.00 60.65 58.70 1rjd h LYS 222 Cb 0.97 0.00 -0.30 0.00 -0.41 0.00 0.00 32.23 32.49 1rjd h LYS 222 CO 0.06 0.27 -0.84 -0.06 -2.27 0.00 0.00 179.45 176.61 1rjd s PHE 223 N -3.07 2.60 0.14 1.91 0.08 -1.18 -4.56 117.98 113.90 1rjd s PHE 223 Ca 0.05 -0.78 -0.17 0.00 0.12 0.00 0.00 56.93 56.15 1rjd s PHE 223 Cb 0.07 -1.70 0.01 0.00 -0.57 0.00 0.00 43.02 40.82 1rjd s PHE 223 CO 0.72 -0.26 1.77 0.77 -0.10 0.00 0.00 175.22 178.13 1rjd h SER 224 N 6.40 0.24 -3.24 1.36 0.02 -1.60 -3.43 113.55 113.31 1rjd h SER 224 Ca -0.27 0.01 -0.44 0.00 -0.84 0.00 0.00 61.79 60.26 1rjd h SER 224 Cb 1.21 -0.03 -0.39 0.00 0.14 0.00 0.00 62.40 63.32 1rjd h SER 224 CO 0.49 0.18 -0.76 -2.28 -1.14 0.00 0.00 176.83 173.32 1rjd s HIS 225 N -6.16 0.50 0.26 3.45 5.65 -1.26 -0.55 115.29 117.18 1rjd s HIS 225 Ca -0.13 -0.20 -0.17 0.00 0.25 0.00 0.00 55.06 54.81 1rjd s HIS 225 Cb 0.11 -0.74 0.01 0.00 -1.18 0.00 0.00 32.58 30.77 1rjd s HIS 225 CO 0.71 -0.37 0.60 0.20 -0.65 0.00 0.00 174.74 175.22 1rjd s GLY 226 N 2.03 0.22 -0.08 1.59 0.00 -0.67 -1.28 107.32 109.12 1rjd s GLY 226 Ca 0.03 -0.59 0.00 0.00 0.00 0.00 0.00 44.72 44.16 1rjd s GLY 226 CO -0.06 -0.36 -0.06 -2.27 0.00 0.00 0.00 173.10 170.35 1rjd s LEU 227 N -2.97 1.14 -0.27 0.66 2.96 -0.22 -1.84 118.68 118.13 1rjd s LEU 227 Ca 0.17 -0.22 -0.08 0.00 -0.22 0.00 0.00 54.13 53.78 1rjd s LEU 227 Cb -0.03 -0.67 -0.02 0.00 0.50 0.00 0.00 46.19 45.97 1rjd s LEU 227 CO 0.08 -0.10 0.09 0.86 -1.32 0.00 0.00 176.35 175.95 1rjd s TRP 228 N 1.47 3.11 -0.28 5.38 -0.11 0.55 0.17 118.94 129.22 1rjd s TRP 228 Ca -0.01 -0.56 -0.08 0.00 1.22 0.00 0.00 56.10 56.67 1rjd s TRP 228 Cb -0.13 -2.26 -0.01 0.00 -1.50 0.00 0.00 33.47 29.57 1rjd s TRP 228 CO -0.04 -0.42 0.10 0.42 -4.62 0.00 0.00 176.95 172.39 1rjd s ILE 229 N 1.59 4.32 -0.04 5.86 1.01 0.17 -1.19 121.20 132.92 1rjd s ILE 229 Ca 0.05 -0.41 0.05 0.00 0.00 0.00 0.00 60.65 60.35 1rjd s ILE 229 Cb -0.16 -3.14 -0.01 0.00 0.01 0.00 0.00 42.46 39.16 1rjd s ILE 229 CO 0.04 0.17 -0.20 -0.55 0.00 0.00 0.00 174.94 174.39 1rjd s SER 230 N 1.58 2.44 -0.02 3.58 0.15 -0.22 -1.52 113.70 119.70 1rjd s SER 230 Ca 0.05 -0.39 0.03 0.00 0.70 0.00 0.00 55.95 56.33 1rjd s SER 230 Cb -0.16 -0.52 0.00 0.00 -1.71 0.00 0.00 66.02 63.63 1rjd s SER 230 CO 0.04 0.21 -0.09 -0.47 1.20 0.00 0.00 173.24 174.13 1rjd s TYR 231 N -0.21 0.97 -0.04 3.44 5.04 -0.80 -0.58 117.35 125.17 1rjd s TYR 231 Ca 0.01 -0.24 -0.30 0.00 -2.44 0.00 0.00 57.07 54.10 1rjd s TYR 231 Cb -0.11 -0.68 0.11 0.00 0.35 0.00 0.00 41.96 41.63 1rjd s TYR 231 CO 0.01 -0.09 1.01 -0.51 -1.34 0.00 0.00 175.55 174.63 1rjd s ASP 232 N 0.14 -0.26 0.60 4.32 1.01 -1.02 -1.31 116.67 120.15 1rjd s ASP 232 Ca -0.02 -0.05 -0.11 0.00 0.71 0.00 0.00 52.55 53.08 1rjd s ASP 232 Cb -0.08 0.31 -0.04 0.00 1.01 0.00 0.00 42.92 44.12 1rjd s ASP 232 CO 0.00 -0.52 1.00 -2.16 0.21 0.00 0.00 175.17 173.71 1rjd s PRO 233 N -2.89 3.61 0.08 8.23 0.04 -1.26 -1.06 135.00 141.74 1rjd s PRO 233 Ca 0.07 0.70 0.06 0.00 0.04 0.00 0.00 61.00 61.88 1rjd s PRO 233 Cb -0.01 -2.11 -0.03 0.00 0.04 0.00 0.00 34.50 32.39 1rjd s PRO 233 CO -0.06 -0.52 -0.17 0.96 0.04 0.00 0.00 177.00 177.25 1rjd s ILE 234 N -3.11 1.37 0.40 0.56 -4.36 0.17 -4.88 121.20 111.35 1rjd s ILE 234 Ca 0.54 -1.37 0.12 0.00 -0.26 0.00 0.00 60.65 59.69 1rjd s ILE 234 Cb -0.11 -1.28 0.14 0.00 1.25 0.00 0.00 42.46 42.47 1rjd s ILE 234 CO 0.52 -0.12 1.91 1.23 0.24 0.00 0.00 174.94 178.72 1rjd h GLY 235 N 4.29 0.07 0.00 6.27 0.00 -1.37 -3.44 103.07 108.89 1rjd h GLY 235 Ca -0.43 -0.05 0.00 0.00 0.00 0.00 0.00 47.33 46.85 1rjd h GLY 235 CO 0.40 0.05 0.00 0.61 0.00 0.00 0.00 176.54 177.60 1rjd n GLY 236 N -0.78 2.28 0.00 4.60 0.00 -0.74 -1.87 105.19 108.67 1rjd n GLY 236 Ca -0.02 -1.48 0.00 0.00 0.00 0.00 0.00 46.02 44.52 1rjd n GLY 236 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1rjd n SER 237 N 0.00 1.12 -4.83 1.61 3.41 -1.19 -4.85 113.62 108.90 1rjd n SER 237 Ca 0.00 -1.19 -0.33 0.00 -0.26 0.00 0.00 58.87 57.09 1rjd n SER 237 Cb 0.00 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 63.88 1rjd n SER 237 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1rjd s GLN 238 N -0.19 4.18 0.36 4.33 -1.52 -1.26 -5.02 119.66 120.55 1rjd s GLN 238 Ca 0.00 1.02 -0.28 0.00 -1.95 0.00 0.00 55.36 54.14 1rjd s GLN 238 Cb 0.00 -2.25 -0.11 0.00 -0.22 0.00 0.00 33.01 30.43 1rjd s GLN 238 CO 0.00 0.02 1.51 -2.30 -0.25 0.00 0.00 175.29 174.27 1rjd n PRO 239 N -0.55 2.68 -1.92 2.91 -0.02 -1.26 -2.58 135.00 134.27 1rjd n PRO 239 Ca 0.06 0.94 -0.14 0.00 -2.02 0.00 0.00 63.50 62.34 1rjd n PRO 239 Cb 0.54 -2.69 -0.03 0.00 -0.02 0.00 0.00 33.50 31.30 1rjd n PRO 239 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1rjd n ASN 240 N 0.78 -4.54 -4.49 2.55 4.13 -1.26 -4.96 115.26 107.47 1rjd n ASN 240 Ca 0.03 0.14 -0.43 0.00 1.68 0.00 0.00 54.58 55.99 1rjd n ASN 240 Cb 0.38 -3.54 -0.06 0.00 -1.54 0.00 0.00 39.78 35.03 1rjd n ASN 240 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 1rjd s ASP 241 N -2.56 6.29 0.00 6.41 -1.08 -1.06 -4.91 116.67 119.76 1rjd s ASP 241 Ca 0.00 -0.56 0.27 0.00 -0.52 0.00 0.00 52.55 51.74 1rjd s ASP 241 Cb 0.00 -2.35 0.98 0.00 -1.46 0.00 0.00 42.92 40.08 1rjd s ASP 241 CO 0.00 -0.99 1.70 0.54 0.52 0.00 0.00 175.17 176.94 1rjd n ARG 242 N 6.68 1.70 -0.20 4.34 1.74 -1.26 -4.53 116.66 125.13 1rjd n ARG 242 Ca -0.02 -1.03 -0.11 0.00 -0.77 0.00 0.00 57.85 55.92 1rjd n ARG 242 Cb 0.47 -1.47 -0.07 0.00 -1.02 0.00 0.00 32.46 30.37 1rjd n ARG 242 CO 0.00 0.00 0.00 0.35 -1.52 0.00 0.00 177.63 176.46 1rjd h PHE 243 N 2.45 -1.52 -0.31 -1.55 3.57 -1.91 0.12 116.94 117.78 1rjd h PHE 243 Ca 0.00 0.09 -0.06 0.00 3.53 0.00 0.00 57.97 61.53 1rjd h PHE 243 Cb 0.52 0.74 -0.01 0.00 2.79 0.00 0.00 35.95 39.99 1rjd h PHE 243 CO 0.01 -0.45 -0.05 0.78 -2.23 0.00 0.00 178.31 176.38 1rjd h GLY 244 N -0.28 0.63 0.65 2.40 0.00 -1.61 -0.93 103.07 103.93 1rjd h GLY 244 Ca 0.13 -0.50 0.07 0.00 0.00 0.00 0.00 47.33 47.04 1rjd h GLY 244 CO -0.68 0.45 0.50 0.00 0.00 0.00 0.00 176.54 176.82 1rjd h ALA 245 N 0.81 1.16 -0.26 3.60 0.00 -1.75 -0.63 119.26 122.19 1rjd h ALA 245 Ca 0.08 0.01 -0.17 0.00 0.00 0.00 0.00 54.91 54.83 1rjd h ALA 245 Cb 0.52 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 1rjd h ALA 245 CO 0.02 0.19 -0.52 0.82 0.00 0.00 0.00 179.25 179.77 1rjd h ILE 246 N 0.88 1.29 -0.27 0.00 2.04 -0.45 -1.55 117.51 119.46 1rjd h ILE 246 Ca 0.38 -1.73 -0.19 0.00 1.00 0.00 0.00 64.86 64.33 1rjd h ILE 246 Cb 0.24 1.65 0.00 0.00 -0.74 0.00 0.00 36.82 37.98 1rjd h ILE 246 CO -0.20 0.55 -0.56 -0.03 0.00 0.00 0.00 178.15 177.91 1rjd h MET 247 N 0.57 0.85 -0.21 2.37 4.05 -0.89 0.21 114.93 121.88 1rjd h MET 247 Ca 0.02 -0.56 -0.11 0.00 -0.28 0.00 0.00 59.70 58.77 1rjd h MET 247 Cb 1.09 0.07 -0.01 0.00 -0.80 0.00 0.00 31.60 31.96 1rjd h MET 247 CO 0.11 1.19 -0.34 1.96 0.23 0.00 0.00 176.91 180.05 1rjd h GLN 248 N 0.62 0.45 0.06 0.39 4.20 -1.09 -1.93 115.11 117.81 1rjd h GLN 248 Ca 0.01 -0.20 -0.00 0.00 0.06 0.00 0.00 58.65 58.51 1rjd h GLN 248 Cb 1.17 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.94 1rjd h GLN 248 CO 0.12 0.74 -0.03 1.03 -0.67 0.00 0.00 178.83 180.03 1rjd h SER 249 N 0.39 -0.06 -0.30 1.46 0.87 -1.22 -3.06 113.55 111.62 1rjd h SER 249 Ca 0.04 -0.46 0.00 0.00 -1.23 0.00 0.00 61.79 60.14 1rjd h SER 249 Cb 0.79 0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 62.75 1rjd h SER 249 CO 0.06 0.45 0.19 -1.13 -0.53 0.00 0.00 176.83 175.87 1rjd h ASN 250 N -0.60 0.35 0.20 6.23 -1.24 -0.91 -1.32 115.58 118.28 1rjd h ASN 250 Ca -0.01 -0.03 -0.07 0.00 0.71 0.00 0.00 56.30 56.90 1rjd h ASN 250 Cb 0.52 -0.09 -0.01 0.00 0.73 0.00 0.00 38.32 39.47 1rjd h ASN 250 CO 0.01 0.27 -0.29 -0.07 -1.29 0.00 0.00 177.43 176.07 1rjd h LEU 251 N 0.39 0.15 -0.34 0.34 3.38 -1.48 -0.48 115.31 117.28 1rjd h LEU 251 Ca 0.11 -0.05 -0.17 0.00 0.09 0.00 0.00 57.88 57.86 1rjd h LEU 251 Cb -0.02 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 40.69 1rjd h LEU 251 CO -0.02 0.44 -0.45 0.50 0.09 0.00 0.00 178.44 179.01 1rjd h LYS 252 N 0.14 0.90 0.01 1.13 1.63 -1.36 -0.41 116.57 118.61 1rjd h LYS 252 Ca 0.02 -0.52 -0.00 0.00 -0.85 0.00 0.00 60.65 59.30 1rjd h LYS 252 Cb 0.58 0.04 0.00 0.00 -0.60 0.00 0.00 32.23 32.25 1rjd h LYS 252 CO 0.04 1.16 -0.01 0.93 -3.45 0.00 0.00 179.45 178.13 1rjd h GLU 253 N 0.70 -0.02 -0.02 1.90 5.08 -0.91 -2.72 114.58 118.59 1rjd h GLU 253 Ca 0.04 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.33 1rjd h GLU 253 Cb 1.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.31 1rjd h GLU 253 CO 0.11 0.64 -0.26 0.66 -1.00 0.00 0.00 179.01 179.15 1rjd h SER 254 N -0.69 0.27 0.00 1.42 4.64 -1.22 -3.41 113.55 114.55 1rjd h SER 254 Ca -0.00 -0.72 0.00 0.00 -0.47 0.00 0.00 61.79 60.59 1rjd h SER 254 Cb 0.66 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.67 1rjd h SER 254 CO 0.00 0.95 0.00 0.54 -0.87 0.00 0.00 176.83 177.45 1rjd n ARG 255 N -4.50 1.49 -3.53 4.77 1.74 -0.79 -5.03 116.66 110.81 1rjd n ARG 255 Ca -0.09 -0.23 -0.22 0.00 -0.77 0.00 0.00 57.85 56.53 1rjd n ARG 255 Cb 0.49 -0.69 0.08 0.00 -1.02 0.00 0.00 32.46 31.32 1rjd n ARG 255 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 1rjd n ASN 256 N -0.28 -5.81 -4.48 0.55 4.05 -0.24 -4.96 115.26 104.09 1rjd n ASN 256 Ca 0.00 -0.52 -0.31 0.00 0.45 0.00 0.00 54.58 54.20 1rjd n ASN 256 Cb 0.04 -4.81 -0.12 0.00 1.23 0.00 0.00 39.78 36.12 1rjd n ASN 256 CO 0.00 0.00 0.00 -0.22 -3.05 0.00 0.00 177.26 173.99 1rjd s LEU 257 N -6.91 2.69 -0.01 1.20 2.96 -0.74 -4.93 118.68 112.94 1rjd s LEU 257 Ca 0.51 -0.35 0.07 0.00 -0.22 0.00 0.00 54.13 54.14 1rjd s LEU 257 Cb -0.22 -1.56 -0.02 0.00 0.50 0.00 0.00 46.19 44.88 1rjd s LEU 257 CO 0.69 0.28 -0.22 -1.61 -1.32 0.00 0.00 176.35 174.16 1rjd s GLU 258 N -1.30 2.16 -0.64 1.98 2.02 -1.26 -3.54 118.70 118.12 1rjd s GLU 258 Ca 0.14 -0.90 0.05 0.00 0.02 0.00 0.00 54.97 54.28 1rjd s GLU 258 Cb -0.11 -2.13 0.16 0.00 0.10 0.00 0.00 34.13 32.15 1rjd s GLU 258 CO 0.05 0.57 0.43 -1.64 0.02 0.00 0.00 175.26 174.68 1rjd s MET 259 N -0.82 2.23 0.47 1.61 -1.94 -1.26 -4.54 119.30 115.06 1rjd s MET 259 Ca 0.11 -3.08 0.15 0.00 -1.71 0.00 0.00 55.69 51.16 1rjd s MET 259 Cb -0.10 -3.25 1.09 0.00 2.01 0.00 0.00 34.83 34.58 1rjd s MET 259 CO 0.00 -1.25 2.05 -1.35 -0.01 0.00 0.00 175.02 174.47 1rjd h PRO 260 N 5.70 0.02 -0.31 2.03 0.11 -1.79 -3.03 132.00 134.71 1rjd h PRO 260 Ca 0.10 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.20 1rjd h PRO 260 Cb 0.80 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.91 1rjd h PRO 260 CO 0.68 0.12 0.00 0.25 -0.21 0.00 0.00 178.00 178.85 1rjd n THR 261 N -4.41 1.80 -0.20 -1.15 -2.24 -1.26 -4.72 114.28 102.10 1rjd n THR 261 Ca -0.03 -1.51 -0.04 0.00 -2.27 0.00 0.00 64.05 60.20 1rjd n THR 261 Cb 0.18 0.04 0.14 0.00 -2.10 0.00 0.00 70.33 68.60 1rjd n THR 261 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 1rjd h LEU 262 N 2.02 0.91 0.00 3.22 5.85 -1.83 -0.71 115.31 124.77 1rjd h LEU 262 Ca 0.00 -0.15 -0.07 0.00 0.84 0.00 0.00 57.88 58.50 1rjd h LEU 262 Cb 1.19 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.97 1rjd h LEU 262 CO 0.15 0.85 -0.53 0.24 -0.34 0.00 0.00 178.44 178.81 1rjd h MET 263 N 0.96 0.00 0.02 1.25 2.86 -1.84 -1.43 114.93 116.74 1rjd h MET 263 Ca 0.22 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.85 1rjd h MET 263 Cb 0.25 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.91 1rjd h MET 263 CO -0.01 0.28 -0.01 1.15 1.06 0.00 0.00 176.91 179.39 1rjd h THR 264 N 0.00 1.39 -3.31 2.22 2.02 -1.75 -3.32 112.91 110.16 1rjd h THR 264 Ca -0.02 -1.26 -0.80 0.00 0.77 0.00 0.00 66.41 65.09 1rjd h THR 264 Cb 1.27 2.24 -0.28 0.00 -1.74 0.00 0.00 68.15 69.63 1rjd h THR 264 CO 0.04 0.32 0.58 -1.22 0.37 0.00 0.00 175.52 175.61 1rjd n TYR 265 N -4.84 4.12 1.15 3.16 4.02 -0.32 -4.78 117.16 119.67 1rjd n TYR 265 Ca -0.09 -3.41 0.12 0.00 -0.01 0.00 0.00 57.90 54.52 1rjd n TYR 265 Cb 0.28 -1.53 0.21 0.00 -0.02 0.00 0.00 39.34 38.28 1rjd n TYR 265 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 176.86 176.12 1rjd n ASN 266 N 2.14 1.96 -4.21 7.72 6.94 -1.24 -3.89 115.26 124.68 1rjd n ASN 266 Ca 0.25 -1.50 -0.13 0.00 -0.02 0.00 0.00 54.58 53.18 1rjd n ASN 266 Cb 0.37 0.19 -0.10 0.00 -2.36 0.00 0.00 39.78 37.87 1rjd n ASN 266 CO 0.00 0.00 0.00 -0.94 -1.03 0.00 0.00 177.26 175.29 1rjd s SER 267 N -2.27 1.54 0.43 0.53 1.04 -1.26 -1.79 113.70 111.92 1rjd s SER 267 Ca 0.26 -0.98 0.17 0.00 0.48 0.00 0.00 55.95 55.87 1rjd s SER 267 Cb 0.19 0.03 0.99 0.00 0.10 0.00 0.00 66.02 67.33 1rjd s SER 267 CO 0.45 -0.37 1.94 0.07 0.98 0.00 0.00 173.24 176.31 1rjd h LYS 268 N 2.94 0.00 -0.08 4.02 2.10 -1.94 -2.26 116.57 121.34 1rjd h LYS 268 Ca -0.36 0.00 -0.08 0.00 -2.00 0.00 0.00 60.65 58.20 1rjd h LYS 268 Cb 1.18 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.51 1rjd h LYS 268 CO 0.63 0.24 -0.27 0.93 -2.00 0.00 0.00 179.45 178.97 1rjd h GLU 269 N 0.00 0.33 -0.48 0.07 3.07 -1.97 -2.12 114.58 113.49 1rjd h GLU 269 Ca -0.00 -0.25 -0.07 0.00 -0.50 0.00 0.00 59.36 58.54 1rjd h GLU 269 Cb 0.46 0.04 -0.02 0.00 -0.84 0.00 0.00 28.75 28.40 1rjd h GLU 269 CO 0.03 0.87 0.02 0.87 -1.40 0.00 0.00 179.01 179.41 1rjd h LYS 270 N -0.14 0.77 -0.15 2.33 1.57 -1.91 -2.44 116.57 116.59 1rjd h LYS 270 Ca -0.01 -0.19 -0.01 0.00 -1.87 0.00 0.00 60.65 58.56 1rjd h LYS 270 Cb 0.90 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 33.11 1rjd h LYS 270 CO 0.06 0.76 0.05 -0.92 -0.57 0.00 0.00 179.45 178.83 1rjd h TYR 271 N 0.73 0.25 0.00 -1.35 3.20 -1.38 -2.66 116.97 115.75 1rjd h TYR 271 Ca 0.15 -0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.97 1rjd h TYR 271 Cb 0.41 -0.07 -0.00 0.00 1.54 0.00 0.00 36.73 38.60 1rjd h TYR 271 CO 0.02 0.36 -0.09 0.00 -1.64 0.00 0.00 178.16 176.81 1rjd h ALA 272 N 0.86 1.22 0.00 1.82 0.00 -1.23 -2.58 119.26 119.36 1rjd h ALA 272 Ca 0.05 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 1rjd h ALA 272 Cb 0.23 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 1rjd h ALA 272 CO -0.00 0.11 -0.01 0.66 0.00 0.00 0.00 179.25 180.01 1rjd h SER 273 N 0.00 0.00 0.30 0.00 4.64 -1.06 -1.89 113.55 115.54 1rjd h SER 273 Ca -0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 1rjd h SER 273 Cb 0.31 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.40 1rjd h SER 273 CO 0.01 0.01 -0.07 0.03 -0.87 0.00 0.00 176.83 175.95 1rjd h ARG 274 N 0.00 0.00 -0.59 4.77 3.08 -1.56 -1.99 114.38 118.09 1rjd h ARG 274 Ca -0.00 0.00 -0.23 0.00 0.07 0.00 0.00 59.98 59.82 1rjd h ARG 274 Cb 0.13 0.00 -0.14 0.00 0.08 0.00 0.00 29.97 30.04 1rjd h ARG 274 CO 0.00 0.07 0.20 0.91 -1.07 0.00 0.00 179.97 180.08 1rjd n TRP 275 N -3.53 1.91 0.25 3.04 8.01 -0.71 -4.74 117.44 121.67 1rjd n TRP 275 Ca -0.02 -1.41 0.05 0.00 -1.31 0.00 0.00 57.50 54.81 1rjd n TRP 275 Cb 0.19 -0.62 0.23 0.00 -2.01 0.00 0.00 31.31 29.10 1rjd n TRP 275 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.69 175.55 1rjd n SER 276 N -0.73 0.13 0.18 -0.99 3.41 -0.75 -1.10 113.62 113.77 1rjd n SER 276 Ca 0.39 0.54 0.02 0.00 -0.26 0.00 0.00 58.87 59.57 1rjd n SER 276 Cb 1.26 -0.57 0.33 0.00 -0.26 0.00 0.00 64.21 64.97 1rjd n SER 276 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1rjd h ALA 277 N 2.22 1.22 -2.75 7.33 0.00 -1.85 -3.43 119.26 122.00 1rjd h ALA 277 Ca 0.00 -0.39 -0.51 0.00 0.00 0.00 0.00 54.91 54.02 1rjd h ALA 277 Cb 0.13 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 17.87 1rjd h ALA 277 CO 0.00 0.53 0.48 0.00 0.00 0.00 0.00 179.25 180.26 1rjd s ALA 278 N -3.97 3.40 0.11 0.00 0.00 -0.26 -4.96 121.76 116.08 1rjd s ALA 278 Ca -0.02 0.87 0.22 0.00 0.00 0.00 0.00 51.96 53.03 1rjd s ALA 278 Cb 0.13 -3.34 0.77 0.00 0.00 0.00 0.00 23.12 20.69 1rjd s ALA 278 CO 0.72 -0.18 1.76 -1.00 0.00 0.00 0.00 175.76 177.07 1rjd h PRO 279 N 4.31 0.00 -3.52 0.00 0.13 -1.84 -3.41 132.00 127.66 1rjd h PRO 279 Ca -0.46 0.00 -0.62 0.00 -0.87 0.00 0.00 66.00 64.05 1rjd h PRO 279 Cb 1.21 0.00 -0.40 0.00 0.13 0.00 0.00 31.00 31.94 1rjd h PRO 279 CO 0.69 0.29 -0.71 1.21 -0.23 0.00 0.00 178.00 179.25 1rjd s ASN 280 N -6.29 4.09 -0.14 1.44 2.47 -1.12 -5.04 114.94 110.36 1rjd s ASN 280 Ca 0.01 -2.42 0.03 0.00 0.42 0.00 0.00 52.86 50.90 1rjd s ASN 280 Cb 0.10 -1.25 0.01 0.00 -1.45 0.00 0.00 41.25 38.66 1rjd s ASN 280 CO 0.66 -0.31 -0.22 -0.69 -3.72 0.00 0.00 177.10 172.82 1rjd s VAL 281 N 0.58 2.08 -0.02 -5.21 1.01 -1.26 -0.17 120.40 117.41 1rjd s VAL 281 Ca 0.15 -0.98 0.07 0.00 0.00 0.00 0.00 61.98 61.22 1rjd s VAL 281 Cb -0.22 -1.83 -0.02 0.00 0.00 0.00 0.00 36.38 34.31 1rjd s VAL 281 CO -0.07 0.55 -0.24 -0.63 0.00 0.00 0.00 175.10 174.71 1rjd s ILE 282 N 0.76 1.91 -0.03 2.22 1.01 0.11 -5.01 121.20 122.16 1rjd s ILE 282 Ca -0.08 -1.03 -0.02 0.00 0.00 0.00 0.00 60.65 59.51 1rjd s ILE 282 Cb -0.16 -1.58 0.01 0.00 0.01 0.00 0.00 42.46 40.74 1rjd s ILE 282 CO -0.01 0.54 0.08 0.54 0.00 0.00 0.00 174.94 176.09 1rjd s VAL 283 N -0.57 -0.01 0.02 2.92 0.11 -1.26 -0.87 120.40 120.74 1rjd s VAL 283 Ca 0.09 0.02 0.00 0.00 -2.93 0.00 0.00 61.98 59.17 1rjd s VAL 283 Cb -0.09 -0.12 -0.02 0.00 -1.53 0.00 0.00 36.38 34.62 1rjd s VAL 283 CO -0.01 0.01 -0.03 0.20 -3.33 0.00 0.00 175.10 171.94 1rjd s ASN 284 N 0.17 0.32 0.74 3.54 0.01 -0.82 -5.02 114.94 113.88 1rjd s ASN 284 Ca -0.01 -0.37 -0.12 0.00 -0.71 0.00 0.00 52.86 51.65 1rjd s ASN 284 Cb -0.02 0.06 0.04 0.00 0.41 0.00 0.00 41.25 41.73 1rjd s ASN 284 CO -0.00 -0.19 1.13 1.51 -1.51 0.00 0.00 177.10 178.03 1rjd s ASP 285 N -1.06 5.11 0.42 -1.22 3.84 -1.26 -1.00 116.67 121.49 1rjd s ASP 285 Ca -0.10 1.01 0.27 0.00 -0.00 0.00 0.00 52.55 53.73 1rjd s ASP 285 Cb -0.07 -1.71 0.80 0.00 -1.38 0.00 0.00 42.92 40.57 1rjd s ASP 285 CO -0.00 -1.55 1.76 0.24 -0.00 0.00 0.00 175.17 175.62 1rjd h MET 286 N -0.80 0.00 -0.40 2.11 2.86 -0.14 -2.23 114.93 116.34 1rjd h MET 286 Ca -0.45 0.00 -0.11 0.00 -2.06 0.00 0.00 59.70 57.07 1rjd h MET 286 Cb 1.28 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.93 1rjd h MET 286 CO 0.64 0.00 -0.20 2.35 1.06 0.00 0.00 176.91 180.76 1rjd h TRP 287 N 0.00 0.96 -0.57 -0.22 2.91 -1.78 -0.94 115.95 116.32 1rjd h TRP 287 Ca 0.00 -0.24 -0.01 0.00 1.13 0.00 0.00 58.89 59.77 1rjd h TRP 287 Cb 0.74 -0.22 -0.03 0.00 -0.51 0.00 0.00 29.16 29.14 1rjd h TRP 287 CO 0.00 1.01 0.31 0.93 -1.03 0.00 0.00 178.44 179.66 1rjd h GLU 288 N 0.64 0.79 -0.66 2.65 5.08 -1.74 -2.00 114.58 119.34 1rjd h GLU 288 Ca 0.09 -0.09 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1rjd h GLU 288 Cb 0.76 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 29.82 1rjd h GLU 288 CO 0.06 0.60 0.42 0.82 -1.00 0.00 0.00 179.01 179.91 1rjd h ILE 289 N 0.77 1.18 -0.61 3.13 2.04 -1.35 -0.34 117.51 122.32 1rjd h ILE 289 Ca 0.20 -0.36 0.04 0.00 1.00 0.00 0.00 64.86 65.74 1rjd h ILE 289 Cb 0.04 0.23 -0.04 0.00 -0.74 0.00 0.00 36.82 36.31 1rjd h ILE 289 CO -0.03 0.18 0.36 0.15 0.00 0.00 0.00 178.15 178.80 1rjd h PHE 290 N 0.90 0.66 0.00 1.37 3.57 -0.86 0.25 116.94 122.83 1rjd h PHE 290 Ca 0.24 0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.68 1rjd h PHE 290 Cb -0.07 -0.21 -0.01 0.00 2.79 0.00 0.00 35.95 38.45 1rjd h PHE 290 CO -0.02 0.36 -0.90 -0.91 -2.23 0.00 0.00 178.31 174.61 1rjd h ASN 291 N 0.69 0.00 0.00 0.41 2.35 -0.99 -3.33 115.58 114.70 1rjd h ASN 291 Ca 0.26 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.01 1rjd h ASN 291 Cb 0.08 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.45 1rjd h ASN 291 CO -0.13 0.29 -0.77 0.00 -1.65 0.00 0.00 177.43 175.18 1rjd n ALA 292 N -2.25 1.76 -0.01 -0.83 0.00 -0.17 -4.78 120.51 114.23 1rjd n ALA 292 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1rjd n ALA 292 Cb 0.68 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.13 1rjd n ALA 292 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 1rjd n GLN 293 N -1.26 5.46 -3.73 0.00 7.27 0.03 -4.96 117.38 120.18 1rjd n GLN 293 Ca 0.00 -0.06 -0.36 0.00 0.07 0.00 0.00 57.00 56.65 1rjd n GLN 293 Cb 0.00 -0.52 -0.10 0.00 2.41 0.00 0.00 30.24 32.03 1rjd n GLN 293 CO 0.00 0.00 0.00 0.42 0.07 0.00 0.00 177.06 177.55 1rjd s ILE 294 N -0.80 5.12 0.59 1.69 -1.09 -0.91 -5.00 121.20 120.80 1rjd s ILE 294 Ca 0.00 0.10 -0.19 0.00 -2.23 0.00 0.00 60.65 58.33 1rjd s ILE 294 Cb 0.00 -3.38 -0.04 0.00 -1.58 0.00 0.00 42.46 37.46 1rjd s ILE 294 CO 0.00 0.36 1.21 -2.16 -1.23 0.00 0.00 174.94 173.11 1rjd s PRO 295 N 1.06 2.99 0.39 2.79 0.04 -1.26 -4.84 135.00 136.18 1rjd s PRO 295 Ca 0.06 1.82 0.15 0.00 0.04 0.00 0.00 61.00 63.08 1rjd s PRO 295 Cb -0.14 -1.94 1.01 0.00 0.04 0.00 0.00 34.50 33.48 1rjd s PRO 295 CO 0.04 -1.19 1.82 1.49 0.04 0.00 0.00 177.00 179.20 1rjd h GLU 296 N 0.91 0.47 -0.69 4.56 4.57 -1.97 -1.31 114.58 121.13 1rjd h GLU 296 Ca -0.50 -0.03 -0.00 0.00 -1.18 0.00 0.00 59.36 57.64 1rjd h GLU 296 Cb 1.30 -0.11 -0.03 0.00 -0.16 0.00 0.00 28.75 29.75 1rjd h GLU 296 CO 0.55 0.31 0.41 0.66 -1.18 0.00 0.00 179.01 179.77 1rjd h SER 297 N 0.49 0.82 -0.26 1.04 4.64 -1.99 -0.28 113.55 118.00 1rjd h SER 297 Ca 0.52 -0.04 -0.19 0.00 -0.47 0.00 0.00 61.79 61.61 1rjd h SER 297 Cb 1.18 -0.21 0.00 0.00 -0.31 0.00 0.00 62.40 63.07 1rjd h SER 297 CO -0.25 0.63 -0.56 -0.33 -0.87 0.00 0.00 176.83 175.46 1rjd h GLU 298 N 0.94 0.86 -0.61 4.77 4.39 -1.61 -1.63 114.58 121.69 1rjd h GLU 298 Ca 0.25 -0.55 -0.07 0.00 0.34 0.00 0.00 59.36 59.33 1rjd h GLU 298 Cb -0.04 0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 28.66 1rjd h GLU 298 CO -0.05 1.19 0.11 0.00 -1.16 0.00 0.00 179.01 179.10 1rjd h ARG 299 N 0.66 1.01 -0.39 2.33 3.08 -0.95 -1.33 114.38 118.79 1rjd h ARG 299 Ca 0.01 -0.26 -0.03 0.00 0.07 0.00 0.00 59.98 59.76 1rjd h ARG 299 Cb 1.17 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 31.08 1rjd h ARG 299 CO 0.12 0.94 0.11 -0.22 -1.07 0.00 0.00 179.97 179.85 1rjd h LYS 300 N 0.92 0.61 -0.49 0.04 3.64 -1.07 -1.97 116.57 118.25 1rjd h LYS 300 Ca 0.19 -0.14 0.06 0.00 -1.27 0.00 0.00 60.65 59.49 1rjd h LYS 300 Cb 0.41 -0.08 -0.05 0.00 -0.41 0.00 0.00 32.23 32.09 1rjd h LYS 300 CO 0.01 0.62 0.20 -0.09 -2.27 0.00 0.00 179.45 177.92 1rjd h ARG 301 N 0.48 0.38 -0.74 1.90 2.43 -1.06 -2.43 114.38 115.33 1rjd h ARG 301 Ca 0.12 -0.02 -0.04 0.00 -0.81 0.00 0.00 59.98 59.23 1rjd h ARG 301 Cb 0.28 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 29.71 1rjd h ARG 301 CO -0.00 0.25 0.30 -0.07 -1.51 0.00 0.00 179.97 178.93 1rjd h LEU 302 N 0.39 1.01 -2.50 3.80 3.38 -1.05 -1.54 115.31 118.79 1rjd h LEU 302 Ca 0.23 -0.15 -0.00 0.00 0.09 0.00 0.00 57.88 58.04 1rjd h LEU 302 Cb 0.21 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.70 1rjd h LEU 302 CO -0.21 0.90 -0.02 0.03 0.09 0.00 0.00 178.44 179.22 1rjd h ARG 303 N 1.07 0.00 0.00 1.13 3.08 -0.90 -1.47 114.38 117.29 1rjd h ARG 303 Ca 0.25 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.30 1rjd h ARG 303 Cb 0.20 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.25 1rjd h ARG 303 CO -0.02 0.02 0.00 0.66 -1.07 0.00 0.00 179.97 179.56 1rjd h SER 304 N 0.00 0.00 0.02 7.04 4.64 -0.83 -3.38 113.55 121.05 1rjd h SER 304 Ca -0.00 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.14 1rjd h SER 304 Cb 0.08 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.16 1rjd h SER 304 CO 0.00 0.00 -0.95 -0.07 -0.87 0.00 0.00 176.83 174.95 1rjd h LEU 305 N 0.00 0.07 -8.18 5.97 3.38 -1.28 -3.49 115.31 111.79 1rjd h LEU 305 Ca 0.00 -0.71 -0.12 0.00 0.09 0.00 0.00 57.88 57.14 1rjd h LEU 305 Cb 0.60 -0.02 -0.13 0.00 0.09 0.00 0.00 40.66 41.20 1rjd h LEU 305 CO 0.00 1.38 -0.37 -1.10 0.09 0.00 0.00 178.44 178.44 1rjd s GLN 306 N -2.35 1.16 -0.34 1.13 -0.21 -1.25 -5.10 119.66 112.70 1rjd s GLN 306 Ca -0.24 -1.25 -0.24 0.00 0.02 0.00 0.00 55.36 53.65 1rjd s GLN 306 Cb 0.03 0.36 0.01 0.00 1.00 0.00 0.00 33.01 34.41 1rjd s GLN 306 CO 0.65 -0.41 0.84 -0.06 -2.12 0.00 0.00 175.29 174.19 1rjd s PHE 307 N -4.00 3.14 -0.90 0.91 0.40 -1.26 -4.72 117.98 111.56 1rjd s PHE 307 Ca 0.20 0.75 -0.15 0.00 -0.60 0.00 0.00 56.93 57.13 1rjd s PHE 307 Cb 0.04 -3.41 0.19 0.00 0.51 0.00 0.00 43.02 40.35 1rjd s PHE 307 CO 0.02 -0.69 0.94 -1.17 0.70 0.00 0.00 175.22 175.02 1rjd s LEU 308 N 3.17 6.06 0.40 -0.37 2.96 -1.26 -4.83 118.68 124.81 1rjd s LEU 308 Ca 0.34 -2.52 0.20 0.00 -0.22 0.00 0.00 54.13 51.94 1rjd s LEU 308 Cb -0.13 -2.29 0.81 0.00 0.50 0.00 0.00 46.19 45.08 1rjd s LEU 308 CO 0.15 -0.74 1.79 0.44 -1.32 0.00 0.00 176.35 176.67 1rjd h ASP 309 N 8.08 0.00 -2.60 3.68 3.32 -2.02 -3.40 116.42 123.48 1rjd h ASP 309 Ca 0.14 0.00 -0.60 0.00 0.02 0.00 0.00 57.03 56.59 1rjd h ASP 309 Cb 1.02 0.00 -0.41 0.00 0.22 0.00 0.00 39.33 40.16 1rjd h ASP 309 CO 0.91 0.32 -0.73 -0.62 -1.72 0.00 0.00 179.24 177.41 1rjd n GLU 310 N -3.56 1.50 -0.37 3.56 -0.58 -1.26 -4.95 120.64 114.98 1rjd n GLU 310 Ca -0.00 -4.10 -0.02 0.00 -0.42 0.00 0.00 57.16 52.62 1rjd n GLU 310 Cb 0.46 -2.02 0.11 0.00 -0.57 0.00 0.00 31.44 29.41 1rjd n GLU 310 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 1rjd h LEU 311 N 5.01 1.11 -0.77 -4.62 5.85 -2.00 -2.05 115.31 117.85 1rjd h LEU 311 Ca 0.18 -0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.85 1rjd h LEU 311 Cb 0.78 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 41.50 1rjd h LEU 311 CO 0.64 0.80 0.39 -0.08 -0.34 0.00 0.00 178.44 179.86 1rjd h GLU 312 N 1.31 1.09 -0.82 1.25 4.57 -1.98 -0.37 114.58 119.63 1rjd h GLU 312 Ca 0.36 -0.14 0.00 0.00 -1.18 0.00 0.00 59.36 58.40 1rjd h GLU 312 Cb -0.14 -0.20 -0.04 0.00 -0.16 0.00 0.00 28.75 28.21 1rjd h GLU 312 CO -0.08 0.83 0.53 0.93 -1.18 0.00 0.00 179.01 180.03 1rjd h GLU 313 N 1.07 1.09 -0.34 1.92 5.08 -1.82 0.57 114.58 122.15 1rjd h GLU 313 Ca 0.27 -0.08 -0.03 0.00 -1.00 0.00 0.00 59.36 58.52 1rjd h GLU 313 Cb 0.08 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.07 1rjd h GLU 313 CO -0.04 0.73 0.10 1.25 -1.00 0.00 0.00 179.01 180.05 1rjd h LEU 314 N 1.11 0.50 -0.39 1.33 5.85 -0.87 -2.21 115.31 120.64 1rjd h LEU 314 Ca 0.30 -0.22 0.05 0.00 0.84 0.00 0.00 57.88 58.86 1rjd h LEU 314 Cb -0.10 -0.13 -0.05 0.00 0.37 0.00 0.00 40.66 40.75 1rjd h LEU 314 CO -0.06 0.59 0.10 0.50 -0.34 0.00 0.00 178.44 179.23 1rjd h LYS 315 N 0.40 0.23 -0.75 1.25 3.64 -0.48 0.10 116.57 120.96 1rjd h LYS 315 Ca 0.11 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.46 1rjd h LYS 315 Cb 0.27 -0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 32.00 1rjd h LYS 315 CO -0.00 0.15 0.42 0.28 -2.27 0.00 0.00 179.45 178.03 1rjd h VAL 316 N 0.24 1.22 0.04 2.00 2.07 -0.81 -1.06 116.25 119.96 1rjd h VAL 316 Ca 0.18 -0.54 -0.00 0.00 0.82 0.00 0.00 66.70 67.17 1rjd h VAL 316 Cb 0.20 0.19 0.00 0.00 -1.52 0.00 0.00 31.29 30.16 1rjd h VAL 316 CO -0.22 0.24 -0.02 -0.03 0.02 0.00 0.00 177.57 177.56 1rjd h MET 317 N 1.05 -0.06 0.00 1.57 1.85 -0.90 -3.32 114.93 115.12 1rjd h MET 317 Ca 0.27 0.00 0.00 0.00 -0.61 0.00 0.00 59.70 59.36 1rjd h MET 317 Cb 0.01 0.01 0.00 0.00 0.43 0.00 0.00 31.60 32.05 1rjd h MET 317 CO -0.04 0.52 0.00 1.04 -0.40 0.00 0.00 176.91 178.02 1rjd n GLN 318 N -4.83 0.09 0.00 0.39 1.13 0.31 -1.62 117.38 112.85 1rjd n GLN 318 Ca -0.09 0.24 0.14 0.00 -1.94 0.00 0.00 57.00 55.35 1rjd n GLN 318 Cb 0.30 -1.64 0.62 0.00 0.11 0.00 0.00 30.24 29.63 1rjd n GLN 318 CO 0.00 0.00 0.00 0.25 -1.44 0.00 0.00 177.06 175.87 1rjd n THR 319 N -1.80 0.00 -0.78 5.09 -2.24 -0.42 -1.57 114.28 112.56 1rjd n THR 319 Ca 0.04 -0.02 0.08 0.00 -2.27 0.00 0.00 64.05 61.88 1rjd n THR 319 Cb 0.26 -0.26 0.34 0.00 -2.10 0.00 0.00 70.33 68.57 1rjd n THR 319 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1rjd n HIS 320 N -1.22 1.50 -4.68 4.78 8.25 -0.64 -4.87 115.22 118.34 1rjd n HIS 320 Ca 0.12 -0.71 -0.23 0.00 -0.26 0.00 0.00 57.72 56.63 1rjd n HIS 320 Cb 0.29 -0.34 -0.15 0.00 1.12 0.00 0.00 29.99 30.90 1rjd n HIS 320 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 1rjd s TYR 321 N -2.35 1.38 0.08 4.41 1.51 -1.21 -0.66 117.35 120.50 1rjd s TYR 321 Ca 0.48 -0.32 0.05 0.00 -1.01 0.00 0.00 57.07 56.27 1rjd s TYR 321 Cb 0.35 -0.92 -0.03 0.00 -0.11 0.00 0.00 41.96 41.25 1rjd s TYR 321 CO 0.17 -0.08 -0.14 0.96 -1.11 0.00 0.00 175.55 175.35 1rjd s ILE 322 N -0.12 1.14 -0.24 2.71 -4.36 -0.22 -1.24 121.20 118.87 1rjd s ILE 322 Ca 0.01 -1.37 -0.03 0.00 -0.26 0.00 0.00 60.65 59.01 1rjd s ILE 322 Cb -0.08 -1.14 0.01 0.00 1.25 0.00 0.00 42.46 42.50 1rjd s ILE 322 CO 0.00 -0.26 -0.05 -0.22 0.24 0.00 0.00 174.94 174.66 1rjd s LEU 323 N -1.85 3.11 -0.17 0.37 2.96 -0.17 -2.42 118.68 120.52 1rjd s LEU 323 Ca -0.00 -0.71 -0.04 0.00 -0.22 0.00 0.00 54.13 53.15 1rjd s LEU 323 Cb -0.09 -1.69 -0.03 0.00 0.50 0.00 0.00 46.19 44.88 1rjd s LEU 323 CO 0.02 -0.10 -0.03 -0.32 -1.32 0.00 0.00 176.35 174.60 1rjd s MET 324 N 1.38 3.64 -0.20 1.98 -2.45 0.25 -1.95 119.30 121.96 1rjd s MET 324 Ca 0.02 -0.53 0.01 0.00 -1.25 0.00 0.00 55.69 53.94 1rjd s MET 324 Cb -0.16 -2.95 0.03 0.00 1.25 0.00 0.00 34.83 33.00 1rjd s MET 324 CO -0.04 0.17 -0.17 0.15 1.05 0.00 0.00 175.02 176.18 1rjd s LYS 325 N 0.54 2.89 -0.11 4.11 1.02 -0.05 -1.05 119.74 127.08 1rjd s LYS 325 Ca -0.03 -0.91 0.02 0.00 0.02 0.00 0.00 55.97 55.08 1rjd s LYS 325 Cb -0.14 -2.65 -0.00 0.00 -0.52 0.00 0.00 37.83 34.51 1rjd s LYS 325 CO 0.03 -0.27 -0.20 0.00 -0.92 0.00 0.00 175.35 173.98 1rjd s ALA 326 N 1.27 2.34 -0.04 5.17 0.00 -0.33 -0.71 121.76 129.45 1rjd s ALA 326 Ca 0.03 -0.95 0.04 0.00 0.00 0.00 0.00 51.96 51.08 1rjd s ALA 326 Cb -0.14 -0.97 -0.00 0.00 0.00 0.00 0.00 23.12 22.00 1rjd s ALA 326 CO -0.11 0.25 -0.17 -0.65 0.00 0.00 0.00 175.76 175.08 1rjd s GLN 327 N 0.39 1.72 0.05 0.00 -0.21 0.76 -0.33 119.66 122.04 1rjd s GLN 327 Ca -0.15 -0.59 -0.01 0.00 0.02 0.00 0.00 55.36 54.63 1rjd s GLN 327 Cb -0.17 -1.50 -0.04 0.00 1.00 0.00 0.00 33.01 32.30 1rjd s GLN 327 CO 0.07 0.24 -0.03 1.67 -2.12 0.00 0.00 175.29 175.11 1rjd s TRP 328 N 0.05 0.50 -0.38 0.91 -2.14 -0.77 -2.79 118.94 114.32 1rjd s TRP 328 Ca -0.04 -1.00 0.05 0.00 2.66 0.00 0.00 56.10 57.78 1rjd s TRP 328 Cb -0.11 -0.37 0.17 0.00 -3.10 0.00 0.00 33.47 30.06 1rjd s TRP 328 CO 0.02 -0.35 0.49 -1.58 -2.66 0.00 0.00 176.95 172.87 1rjd s HIS 329 N -3.60 -1.00 0.46 1.66 2.46 -1.25 -1.68 115.29 112.35 1rjd s HIS 329 Ca 0.04 -0.23 0.04 0.00 0.47 0.00 0.00 55.06 55.38 1rjd s HIS 329 Cb 0.06 -0.06 0.01 0.00 -0.13 0.00 0.00 32.58 32.46 1rjd s HIS 329 CO -0.09 -1.06 0.65 -3.38 -2.47 0.00 0.00 174.74 168.39 1rjd s HIS 330 N 1.73 2.93 -0.42 3.88 -3.43 0.29 -4.97 115.29 115.30 1rjd s HIS 330 Ca 0.16 -0.14 0.05 0.00 -0.80 0.00 0.00 55.06 54.33 1rjd s HIS 330 Cb -0.10 -2.46 0.19 0.00 -1.43 0.00 0.00 32.58 28.78 1rjd s HIS 330 CO -0.08 -0.53 0.39 0.72 -2.00 0.00 0.00 174.74 173.25 1rjd n HIS 331 N -2.04 -0.66 0.23 0.38 8.25 -1.26 -4.77 115.22 115.35 1rjd n HIS 331 Ca 0.06 -3.40 0.10 0.00 -0.26 0.00 0.00 57.72 54.22 1rjd n HIS 331 Cb 0.59 0.09 0.17 0.00 1.12 0.00 0.00 29.99 31.97 1rjd n HIS 331 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 1rjd n HIS 332 N 2.46 0.41 -3.57 4.41 8.25 -1.26 -5.01 115.22 120.91 1rjd n HIS 332 Ca 0.28 -0.26 -0.23 0.00 -0.26 0.00 0.00 57.72 57.25 1rjd n HIS 332 Cb 0.49 -0.01 0.03 0.00 1.12 0.00 0.00 29.99 31.62 1rjd n HIS 332 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 1rjd n HIS 333 N 1.16 -2.17 0.71 4.41 8.25 -1.26 -5.26 115.22 121.06 1rjd n HIS 333 Ca 0.16 0.68 0.09 0.00 -0.26 0.00 0.00 57.72 58.38 1rjd n HIS 333 Cb 0.52 -3.43 0.07 0.00 1.12 0.00 0.00 29.99 28.26 1rjd n HIS 333 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70