#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bjh s SER 2 N 0.00 -0.78 -0.07 0.00 0.15 -1.25 -1.50 113.70 110.25 2bjh s SER 2 Ca 0.00 1.27 0.00 0.00 0.70 0.00 0.00 55.95 57.92 2bjh s SER 2 Cb 0.00 1.15 0.02 0.00 -1.71 0.00 0.00 66.02 65.48 2bjh s SER 2 CO 0.00 -0.22 -0.05 0.42 1.20 0.00 0.00 173.24 174.58 2bjh s THR 3 N 1.52 0.70 0.07 6.45 -4.23 -0.71 -4.94 115.64 114.50 2bjh s THR 3 Ca -0.10 -0.17 -0.25 0.00 -1.18 0.00 0.00 61.69 59.99 2bjh s THR 3 Cb -0.06 -0.73 -0.06 0.00 1.34 0.00 0.00 72.50 72.99 2bjh s THR 3 CO -0.17 0.28 0.78 -1.58 -0.54 0.00 0.00 174.62 173.40 2bjh s GLN 4 N 1.24 4.52 0.00 3.99 0.74 -1.26 -0.30 119.66 128.59 2bjh s GLN 4 Ca -0.05 1.11 0.00 0.00 0.05 0.00 0.00 55.36 56.46 2bjh s GLN 4 Cb -0.14 -3.35 0.00 0.00 1.10 0.00 0.00 33.01 30.62 2bjh s GLN 4 CO -0.02 0.32 0.00 0.41 -0.55 0.00 0.00 175.29 175.45 2bjh n GLY 5 N 2.26 -0.12 3.28 2.59 0.00 0.16 -4.95 105.19 108.41 2bjh n GLY 5 Ca -0.03 -1.43 -0.15 0.00 0.00 0.00 0.00 46.02 44.41 2bjh n GLY 5 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2bjh s ILE 6 N -1.84 0.62 1.03 -0.61 -4.36 -0.77 -4.79 121.20 110.48 2bjh s ILE 6 Ca 0.00 -1.99 -0.11 0.00 -0.26 0.00 0.00 60.65 58.28 2bjh s ILE 6 Cb 0.00 -2.39 0.20 0.00 1.25 0.00 0.00 42.46 41.52 2bjh s ILE 6 CO 0.00 -0.23 1.03 -1.54 0.24 0.00 0.00 174.94 174.44 2bjh n SER 7 N -0.36 -0.68 0.10 4.36 3.41 -1.26 -4.59 113.62 114.60 2bjh n SER 7 Ca -0.03 0.17 -0.05 0.00 -0.26 0.00 0.00 58.87 58.70 2bjh n SER 7 Cb 0.65 -1.37 0.04 0.00 -0.26 0.00 0.00 64.21 63.27 2bjh n SER 7 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 2bjh h GLU 8 N -2.21 0.05 0.09 4.33 4.57 -1.99 -2.58 114.58 116.83 2bjh h GLU 8 Ca -0.51 -0.05 -0.00 0.00 -1.18 0.00 0.00 59.36 57.62 2bjh h GLU 8 Cb 1.30 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 29.90 2bjh h GLU 8 CO 0.44 0.81 -0.04 -0.44 -1.18 0.00 0.00 179.01 178.60 2bjh h ASP 9 N 0.03 -0.10 -0.75 1.04 5.19 -2.00 -2.14 116.42 117.69 2bjh h ASP 9 Ca -0.02 -0.18 -0.06 0.00 -0.62 0.00 0.00 57.03 56.16 2bjh h ASP 9 Cb 1.40 0.03 -0.03 0.00 0.18 0.00 0.00 39.33 40.90 2bjh h ASP 9 CO 0.11 0.12 0.26 0.25 -3.12 0.00 0.00 179.24 176.86 2bjh h LEU 10 N -0.32 1.08 -0.16 1.55 5.85 -1.93 -2.34 115.31 119.05 2bjh h LEU 10 Ca -0.01 -0.19 0.03 0.00 0.84 0.00 0.00 57.88 58.55 2bjh h LEU 10 Cb 0.27 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 40.99 2bjh h LEU 10 CO 0.02 0.99 -0.04 0.22 -0.34 0.00 0.00 178.44 179.28 2bjh h TYR 11 N 1.12 -0.10 -0.60 1.25 3.20 -1.36 0.00 116.97 120.48 2bjh h TYR 11 Ca 0.25 0.01 0.05 0.00 3.14 0.00 0.00 58.73 62.18 2bjh h TYR 11 Cb 0.28 0.07 -0.05 0.00 1.54 0.00 0.00 36.73 38.57 2bjh h TYR 11 CO 0.02 -0.08 0.33 -0.91 -1.64 0.00 0.00 178.16 175.89 2bjh h ASN 12 N -0.01 0.49 0.30 -2.11 -0.26 -1.21 -0.02 115.58 112.76 2bjh h ASN 12 Ca 0.08 0.03 -0.00 0.00 -0.56 0.00 0.00 56.30 55.84 2bjh h ASN 12 Cb 0.13 -0.07 -0.01 0.00 -1.06 0.00 0.00 38.32 37.30 2bjh h ASN 12 CO -0.17 0.33 -0.24 -0.09 -1.06 0.00 0.00 177.43 176.20 2bjh h ARG 13 N 0.62 -0.53 -0.83 0.81 9.65 -0.85 0.48 114.38 123.74 2bjh h ARG 13 Ca 0.27 0.04 0.12 0.00 -1.10 0.00 0.00 59.98 59.30 2bjh h ARG 13 Cb 0.15 0.12 -0.08 0.00 -1.39 0.00 0.00 29.97 28.77 2bjh h ARG 13 CO -0.17 -0.35 0.45 -0.07 2.80 0.00 0.00 179.97 182.63 2bjh h LEU 14 N -0.55 0.60 -1.18 3.80 3.38 -0.62 0.26 115.31 121.00 2bjh h LEU 14 Ca -0.02 0.07 -0.06 0.00 0.09 0.00 0.00 57.88 57.95 2bjh h LEU 14 Cb 0.48 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 2bjh h LEU 14 CO -0.01 0.31 -0.12 0.58 0.09 0.00 0.00 178.44 179.29 2bjh h VAL 15 N 0.71 1.22 -0.23 1.22 2.07 -0.37 0.77 116.25 121.64 2bjh h VAL 15 Ca 0.43 -0.95 -0.03 0.00 0.82 0.00 0.00 66.70 66.97 2bjh h VAL 15 Cb 0.50 1.15 -0.01 0.00 -1.52 0.00 0.00 31.29 31.41 2bjh h VAL 15 CO -0.30 0.31 0.02 -0.08 0.02 0.00 0.00 177.57 177.53 2bjh h GLU 16 N 0.40 0.39 -0.05 1.57 4.81 0.33 -1.38 114.58 120.65 2bjh h GLU 16 Ca 0.08 -0.12 -0.16 0.00 -0.13 0.00 0.00 59.36 59.03 2bjh h GLU 16 Cb 0.45 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.78 2bjh h GLU 16 CO 0.03 0.56 -0.68 0.52 -0.73 0.00 0.00 179.01 178.70 2bjh h MET 17 N 0.18 0.22 0.01 1.92 2.86 -0.77 -2.45 114.93 116.90 2bjh h MET 17 Ca 0.07 -0.17 -0.00 0.00 -2.06 0.00 0.00 59.70 57.54 2bjh h MET 17 Cb 0.37 0.03 -0.00 0.00 0.06 0.00 0.00 31.60 32.06 2bjh h MET 17 CO 0.01 0.81 -0.01 0.00 1.06 0.00 0.00 176.91 178.79 2bjh h ALA 18 N 1.14 -0.02 -0.18 6.32 0.00 -0.75 -0.01 119.26 125.77 2bjh h ALA 18 Ca -0.02 -0.00 0.05 0.00 0.00 0.00 0.00 54.91 54.94 2bjh h ALA 18 Cb 1.22 0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.95 2bjh h ALA 18 CO 0.10 -0.51 -0.30 1.15 0.00 0.00 0.00 179.25 179.70 2bjh h THR 19 N -0.02 0.32 -0.66 0.00 2.02 -1.09 0.21 112.91 113.68 2bjh h THR 19 Ca -0.00 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.23 2bjh h THR 19 Cb 0.02 0.32 -0.05 0.00 -1.74 0.00 0.00 68.15 66.69 2bjh h THR 19 CO 0.00 0.00 0.38 0.40 0.37 0.00 0.00 175.52 176.67 2bjh h ILE 20 N -0.34 1.01 0.25 3.11 2.04 -1.22 0.31 117.51 122.67 2bjh h ILE 20 Ca 0.11 -0.25 -0.01 0.00 1.00 0.00 0.00 64.86 65.71 2bjh h ILE 20 Cb 0.52 0.23 0.00 0.00 -0.74 0.00 0.00 36.82 36.82 2bjh h ILE 20 CO -0.37 0.13 -0.12 0.28 0.00 0.00 0.00 178.15 178.07 2bjh h SER 21 N 0.72 -0.29 0.14 1.72 0.02 -0.17 -2.08 113.55 113.61 2bjh h SER 21 Ca 0.28 -0.04 -0.02 0.00 -0.84 0.00 0.00 61.79 61.18 2bjh h SER 21 Cb 0.13 0.07 -0.00 0.00 0.14 0.00 0.00 62.40 62.74 2bjh h SER 21 CO -0.15 -0.15 -0.09 1.56 -1.14 0.00 0.00 176.83 176.86 2bjh h GLN 22 N -0.41 0.00 0.00 3.45 1.08 -0.34 -1.54 115.11 117.36 2bjh h GLN 22 Ca -0.03 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.17 2bjh h GLN 22 Cb 0.31 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.74 2bjh h GLN 22 CO 0.06 0.09 0.00 0.00 -0.95 0.00 0.00 178.83 178.03 2bjh h ALA 23 N 1.91 1.00 0.00 3.87 0.00 -0.63 -3.18 119.26 122.23 2bjh h ALA 23 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2bjh h ALA 23 Cb 0.18 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.97 2bjh h ALA 23 CO 0.01 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.26 2bjh h ALA 24 N 2.18 1.00 -0.01 0.00 0.00 -0.58 0.08 119.26 121.93 2bjh h ALA 24 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2bjh h ALA 24 Cb 0.87 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.66 2bjh h ALA 24 CO 0.00 0.00 -0.21 0.66 0.00 0.00 0.00 179.25 179.70 2bjh n TYR 25 N -2.32 0.00 -2.66 0.00 4.02 -1.20 -4.26 117.16 110.74 2bjh n TYR 25 Ca -0.01 0.00 -0.09 0.00 -0.01 0.00 0.00 57.90 57.79 2bjh n TYR 25 Cb 0.07 -0.12 0.03 0.00 -0.02 0.00 0.00 39.34 39.30 2bjh n TYR 25 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2bjh n ALA 26 N -0.64 3.46 -3.62 -0.72 0.00 -0.14 -4.97 120.51 113.89 2bjh n ALA 26 Ca 0.13 -3.18 -0.20 0.00 0.00 0.00 0.00 53.44 50.20 2bjh n ALA 26 Cb 0.33 -0.91 0.05 0.00 0.00 0.00 0.00 19.45 18.93 2bjh n ALA 26 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2bjh n ASP 27 N -0.12 -1.49 -4.03 0.00 4.64 -1.22 -2.93 116.55 111.40 2bjh n ASP 27 Ca 0.11 -0.76 -0.28 0.00 -1.38 0.00 0.00 54.79 52.48 2bjh n ASP 27 Cb 0.81 -4.40 -0.03 0.00 -1.04 0.00 0.00 41.12 36.46 2bjh n ASP 27 CO 0.00 0.00 0.00 0.18 -0.82 0.00 0.00 177.20 176.56 2bjh n LEU 28 N -4.24 -1.85 0.00 -2.67 4.77 -0.31 -4.94 117.00 107.77 2bjh n LEU 28 Ca -0.29 -1.09 0.00 0.00 -0.03 0.00 0.00 56.01 54.59 2bjh n LEU 28 Cb 0.67 -2.04 0.00 0.00 -2.33 0.00 0.00 43.42 39.72 2bjh n LEU 28 CO 0.66 0.47 0.00 0.00 -1.33 0.00 0.00 177.39 177.19 2bjh n ASN 30 N 0.00 5.24 -4.82 0.00 4.13 -1.26 -5.04 115.26 113.51 2bjh n ASN 30 Ca 0.00 -3.42 -0.33 0.00 1.68 0.00 0.00 54.58 52.51 2bjh n ASN 30 Cb 0.00 -1.01 -0.06 0.00 -1.54 0.00 0.00 39.78 37.17 2bjh n ASN 30 CO 0.00 0.00 0.00 0.27 0.28 0.00 0.00 177.26 177.81 2bjh s ILE 31 N -2.62 4.38 0.29 2.41 -4.36 -1.25 -4.94 121.20 115.09 2bjh s ILE 31 Ca 0.35 1.44 -0.15 0.00 -0.26 0.00 0.00 60.65 62.03 2bjh s ILE 31 Cb 0.09 -3.61 -0.11 0.00 1.25 0.00 0.00 42.46 40.08 2bjh s ILE 31 CO 0.05 -0.36 0.05 -2.65 0.24 0.00 0.00 174.94 172.27 2bjh n PRO 32 N -0.77 0.00 0.09 0.37 -0.01 -1.26 -4.82 135.00 128.59 2bjh n PRO 32 Ca 0.07 0.00 0.11 0.00 -0.01 0.00 0.00 63.50 63.67 2bjh n PRO 32 Cb 0.54 -0.70 0.44 0.00 -0.01 0.00 0.00 33.50 33.77 2bjh n PRO 32 CO 0.00 0.00 0.00 -1.13 -0.01 0.00 0.00 175.50 174.36 2bjh n SER 33 N 1.64 0.49 -0.59 2.55 3.41 -1.26 -3.19 113.62 116.67 2bjh n SER 33 Ca 0.08 0.60 0.12 0.00 -0.26 0.00 0.00 58.87 59.41 2bjh n SER 33 Cb 0.28 -0.71 0.39 0.00 -0.26 0.00 0.00 64.21 63.91 2bjh n SER 33 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 2bjh n THR 34 N -2.02 0.17 -4.37 6.66 -2.24 -1.26 -4.90 114.28 106.33 2bjh n THR 34 Ca 0.03 -0.36 -0.35 0.00 -2.27 0.00 0.00 64.05 61.11 2bjh n THR 34 Cb 0.25 0.48 -0.10 0.00 -2.10 0.00 0.00 70.33 68.86 2bjh n THR 34 CO 0.00 0.00 0.00 -0.51 -0.57 0.00 0.00 175.07 173.99 2bjh s ILE 35 N -1.83 4.23 -0.14 2.28 -1.16 -1.19 -4.06 121.20 119.32 2bjh s ILE 35 Ca 0.34 -0.27 -0.12 0.00 -0.51 0.00 0.00 60.65 60.09 2bjh s ILE 35 Cb 0.19 -2.80 -0.05 0.00 0.61 0.00 0.00 42.46 40.41 2bjh s ILE 35 CO 0.29 0.57 0.26 -0.63 -2.81 0.00 0.00 174.94 172.62 2bjh s ILE 36 N -0.52 5.32 -0.22 2.00 1.09 0.63 -4.94 121.20 124.55 2bjh s ILE 36 Ca 0.09 0.48 -0.29 0.00 -1.10 0.00 0.00 60.65 59.83 2bjh s ILE 36 Cb -0.12 -3.59 0.01 0.00 -1.06 0.00 0.00 42.46 37.70 2bjh s ILE 36 CO 0.02 0.45 1.02 -0.75 -0.10 0.00 0.00 174.94 175.58 2bjh s LYS 37 N 0.08 4.27 0.00 2.79 2.20 -1.26 -2.33 119.74 125.50 2bjh s LYS 37 Ca 0.16 1.33 0.00 0.00 -0.36 0.00 0.00 55.97 57.09 2bjh s LYS 37 Cb -0.13 -3.63 0.00 0.00 -1.51 0.00 0.00 37.83 32.56 2bjh s LYS 37 CO 0.04 -0.58 0.00 0.41 -0.36 0.00 0.00 175.35 174.86 2bjh n GLY 38 N 3.33 3.78 3.63 5.54 0.00 -0.74 -5.01 105.19 115.73 2bjh n GLY 38 Ca 0.11 -1.83 -0.43 0.00 0.00 0.00 0.00 46.02 43.86 2bjh n GLY 38 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2bjh n GLU 39 N 0.00 1.63 -3.31 1.61 4.07 -1.23 -4.62 120.64 118.79 2bjh n GLU 39 Ca 0.00 0.57 -0.38 0.00 -0.06 0.00 0.00 57.16 57.29 2bjh n GLU 39 Cb 0.00 -2.05 -0.06 0.00 -0.06 0.00 0.00 31.44 29.27 2bjh n GLU 39 CO 0.00 0.00 0.00 0.21 -0.06 0.00 0.00 177.13 177.28 2bjh s LYS 40 N -1.75 4.33 -0.15 5.31 2.47 -1.26 -1.12 119.74 127.56 2bjh s LYS 40 Ca 0.58 0.44 -0.18 0.00 -1.56 0.00 0.00 55.97 55.26 2bjh s LYS 40 Cb -0.63 -3.45 -0.04 0.00 -1.46 0.00 0.00 37.83 32.26 2bjh s LYS 40 CO 0.60 0.13 0.47 0.42 0.16 0.00 0.00 175.35 177.14 2bjh s ILE 41 N 0.71 5.17 -0.27 5.43 1.01 0.28 -4.97 121.20 128.57 2bjh s ILE 41 Ca 0.26 0.92 -0.25 0.00 0.00 0.00 0.00 60.65 61.57 2bjh s ILE 41 Cb -0.15 -3.81 0.10 0.00 0.01 0.00 0.00 42.46 38.61 2bjh s ILE 41 CO 0.10 0.28 0.91 -0.47 0.00 0.00 0.00 174.94 175.76 2bjh s TYR 42 N 0.94 -0.59 -0.23 3.97 5.04 -1.26 -1.78 117.35 123.44 2bjh s TYR 42 Ca 0.24 1.42 -0.04 0.00 -2.44 0.00 0.00 57.07 56.26 2bjh s TYR 42 Cb -0.15 0.33 0.10 0.00 0.35 0.00 0.00 41.96 42.59 2bjh s TYR 42 CO 0.10 -0.30 0.18 1.21 -1.34 0.00 0.00 175.55 175.40 2bjh s ASN 43 N 0.20 2.19 0.54 4.32 3.84 -1.04 -4.99 114.94 119.99 2bjh s ASN 43 Ca 0.01 -0.68 0.28 0.00 0.21 0.00 0.00 52.86 52.68 2bjh s ASN 43 Cb -0.05 0.09 1.43 0.00 -0.55 0.00 0.00 41.25 42.17 2bjh s ASN 43 CO -0.03 -0.37 1.96 0.00 -2.79 0.00 0.00 177.10 175.87 2bjh h ALA 44 N 8.35 2.60 -0.00 1.71 0.00 -1.95 0.27 119.26 130.24 2bjh h ALA 44 Ca -0.17 -0.02 -0.23 0.00 0.00 0.00 0.00 54.91 54.49 2bjh h ALA 44 Cb 1.10 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.94 2bjh h ALA 44 CO 0.33 -0.81 -0.95 1.96 0.00 0.00 0.00 179.25 179.79 2bjh h GLN 45 N 0.00 0.43 -0.02 0.00 1.08 -1.97 -3.22 115.11 111.41 2bjh h GLN 45 Ca 0.31 -0.46 0.00 0.00 -1.45 0.00 0.00 58.65 57.04 2bjh h GLN 45 Cb 1.25 0.13 0.00 0.00 -0.05 0.00 0.00 27.48 28.81 2bjh h GLN 45 CO -0.00 1.12 -0.14 0.25 -0.95 0.00 0.00 178.83 179.11 2bjh n THR 46 N -3.75 0.00 -2.78 -0.54 -2.24 -1.04 -4.95 114.28 98.97 2bjh n THR 46 Ca -0.07 -0.43 -0.17 0.00 -2.27 0.00 0.00 64.05 61.11 2bjh n THR 46 Cb 0.84 1.34 0.00 0.00 -2.10 0.00 0.00 70.33 70.41 2bjh n THR 46 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 2bjh n ASP 47 N 0.68 -4.32 -4.72 3.42 2.03 0.91 -4.36 116.55 110.19 2bjh n ASP 47 Ca 0.10 -0.05 -0.42 0.00 0.52 0.00 0.00 54.79 54.94 2bjh n ASP 47 Cb 0.46 -3.61 -0.03 0.00 -0.72 0.00 0.00 41.12 37.22 2bjh n ASP 47 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 2bjh s ILE 48 N -2.82 3.97 0.16 5.18 -1.09 -1.13 -4.88 121.20 120.60 2bjh s ILE 48 Ca 0.16 1.47 0.08 0.00 -2.23 0.00 0.00 60.65 60.13 2bjh s ILE 48 Cb -0.08 -3.94 -0.04 0.00 -1.58 0.00 0.00 42.46 36.82 2bjh s ILE 48 CO 0.19 0.15 -0.18 0.20 -1.23 0.00 0.00 174.94 174.07 2bjh s ASN 49 N 0.80 2.64 0.00 3.58 0.01 -1.26 -2.51 114.94 118.19 2bjh s ASN 49 Ca 0.57 -0.86 0.00 0.00 -0.71 0.00 0.00 52.86 51.86 2bjh s ASN 49 Cb -0.30 -0.15 0.00 0.00 0.41 0.00 0.00 41.25 41.21 2bjh s ASN 49 CO 0.31 -0.04 0.00 0.61 -1.51 0.00 0.00 177.10 176.46 2bjh n GLY 50 N 0.30 0.84 3.05 0.66 0.00 -0.73 -2.09 105.19 107.22 2bjh n GLY 50 Ca -0.13 -1.03 -0.10 0.00 0.00 0.00 0.00 46.02 44.76 2bjh n GLY 50 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2bjh s TRP 51 N -2.00 0.16 -0.18 1.61 0.51 0.00 0.98 118.94 120.02 2bjh s TRP 51 Ca 0.00 -0.35 -0.11 0.00 -2.12 0.00 0.00 56.10 53.52 2bjh s TRP 51 Cb 0.00 -0.12 -0.05 0.00 -0.81 0.00 0.00 33.47 32.49 2bjh s TRP 51 CO 0.00 -0.25 0.19 0.42 -0.51 0.00 0.00 176.95 176.81 2bjh s ILE 52 N -1.50 5.37 0.23 2.03 1.09 -0.28 -0.62 121.20 127.53 2bjh s ILE 52 Ca -0.15 0.33 0.08 0.00 -1.10 0.00 0.00 60.65 59.81 2bjh s ILE 52 Cb -0.08 -3.53 -0.05 0.00 -1.06 0.00 0.00 42.46 37.74 2bjh s ILE 52 CO -0.00 0.43 -0.13 -0.76 -0.10 0.00 0.00 174.94 174.38 2bjh s LEU 53 N 0.33 2.54 -0.04 2.97 1.43 0.51 -1.79 118.68 124.63 2bjh s LEU 53 Ca 0.12 -1.06 -0.01 0.00 -1.03 0.00 0.00 54.13 52.14 2bjh s LEU 53 Cb -0.12 -0.69 0.03 0.00 0.03 0.00 0.00 46.19 45.44 2bjh s LEU 53 CO 0.01 -0.19 0.08 -0.60 0.23 0.00 0.00 176.35 175.87 2bjh s ARG 54 N -3.65 0.00 -0.30 1.70 3.52 -0.98 0.12 118.95 119.36 2bjh s ARG 54 Ca 0.25 0.30 -0.01 0.00 -0.13 0.00 0.00 55.73 56.13 2bjh s ARG 54 Cb -0.00 -0.26 0.05 0.00 -1.56 0.00 0.00 34.95 33.18 2bjh s ARG 54 CO 0.08 -0.20 -0.00 0.34 -0.81 0.00 0.00 175.30 174.71 2bjh s ASP 55 N 1.34 4.87 0.01 -2.12 -1.08 -0.31 -0.27 116.67 119.10 2bjh s ASP 55 Ca -0.06 -1.29 0.28 0.00 -0.52 0.00 0.00 52.55 50.95 2bjh s ASP 55 Cb -0.12 -1.70 1.05 0.00 -1.46 0.00 0.00 42.92 40.69 2bjh s ASP 55 CO -0.04 -0.26 1.81 0.47 0.52 0.00 0.00 175.17 177.66 2bjh n ASP 56 N 4.61 0.15 -0.02 -0.34 8.00 -1.26 -0.82 116.55 126.88 2bjh n ASP 56 Ca -0.13 0.34 -0.20 0.00 0.71 0.00 0.00 54.79 55.51 2bjh n ASP 56 Cb 0.43 -0.35 -0.13 0.00 -0.02 0.00 0.00 41.12 41.05 2bjh n ASP 56 CO 0.00 0.00 0.00 0.74 -0.39 0.00 0.00 177.20 177.55 2bjh h THR 57 N 0.00 1.25 0.00 -3.53 2.02 -1.94 -3.31 112.91 107.40 2bjh h THR 57 Ca 0.00 -2.38 0.00 0.00 0.77 0.00 0.00 66.41 64.80 2bjh h THR 57 Cb 0.51 2.86 0.00 0.00 -1.74 0.00 0.00 68.15 69.78 2bjh h THR 57 CO 0.00 0.62 -0.34 -1.20 0.37 0.00 0.00 175.52 174.97 2bjh n SER 58 N -4.18 0.46 -3.31 4.18 7.64 -1.24 -4.96 113.62 112.21 2bjh n SER 58 Ca -0.21 0.15 -0.16 0.00 1.01 0.00 0.00 58.87 59.66 2bjh n SER 58 Cb 0.77 -0.11 0.08 0.00 -1.01 0.00 0.00 64.21 63.94 2bjh n SER 58 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 2bjh n LYS 59 N -1.76 -5.06 -3.90 1.43 5.02 0.00 -4.90 118.16 109.00 2bjh n LYS 59 Ca 0.05 0.83 -0.11 0.00 -2.02 0.00 0.00 58.31 57.07 2bjh n LYS 59 Cb 0.38 -5.76 -0.11 0.00 -0.02 0.00 0.00 35.03 29.52 2bjh n LYS 59 CO 0.00 0.00 0.00 -1.83 -0.52 0.00 0.00 177.40 175.05 2bjh s GLU 60 N -5.01 0.39 -0.31 1.97 -1.05 -0.34 -1.85 118.70 112.49 2bjh s GLU 60 Ca 0.15 -0.38 -0.10 0.00 -0.15 0.00 0.00 54.97 54.49 2bjh s GLU 60 Cb -0.02 0.16 -0.01 0.00 -0.44 0.00 0.00 34.13 33.82 2bjh s GLU 60 CO 0.71 -0.08 0.15 0.42 0.95 0.00 0.00 175.26 177.41 2bjh s ILE 61 N -1.20 4.58 -0.13 1.83 1.01 0.85 -1.16 121.20 126.98 2bjh s ILE 61 Ca -0.13 -0.44 -0.08 0.00 0.00 0.00 0.00 60.65 60.00 2bjh s ILE 61 Cb -0.07 -3.34 -0.04 0.00 0.01 0.00 0.00 42.46 39.01 2bjh s ILE 61 CO 0.01 0.06 0.16 -0.63 0.00 0.00 0.00 174.94 174.53 2bjh s ILE 62 N 1.61 5.47 -0.24 2.92 1.01 0.12 -1.43 121.20 130.66 2bjh s ILE 62 Ca 0.04 0.25 0.02 0.00 0.00 0.00 0.00 60.65 60.97 2bjh s ILE 62 Cb -0.17 -3.43 0.05 0.00 0.01 0.00 0.00 42.46 38.92 2bjh s ILE 62 CO 0.06 0.59 -0.13 -0.89 0.00 0.00 0.00 174.94 174.57 2bjh s THR 63 N -0.80 2.13 -0.09 2.92 2.01 0.48 0.19 115.64 122.48 2bjh s THR 63 Ca 0.15 -1.46 -0.01 0.00 0.31 0.00 0.00 61.69 60.68 2bjh s THR 63 Cb -0.12 -2.16 -0.03 0.00 0.01 0.00 0.00 72.50 70.19 2bjh s THR 63 CO 0.04 0.11 -0.02 -0.69 -0.69 0.00 0.00 174.62 173.36 2bjh s VAL 64 N 1.15 4.10 -0.10 3.82 1.01 0.21 -1.26 120.40 129.33 2bjh s VAL 64 Ca -0.05 -0.32 0.04 0.00 0.00 0.00 0.00 61.98 61.64 2bjh s VAL 64 Cb -0.18 -2.72 -0.00 0.00 0.00 0.00 0.00 36.38 33.48 2bjh s VAL 64 CO -0.07 0.59 -0.23 -0.36 0.00 0.00 0.00 175.10 175.03 2bjh s PHE 65 N -0.72 2.59 0.55 5.22 0.40 -0.84 -0.82 117.98 124.36 2bjh s PHE 65 Ca 0.11 -1.02 -0.17 0.00 -0.60 0.00 0.00 56.93 55.25 2bjh s PHE 65 Cb -0.11 -1.72 -0.06 0.00 0.51 0.00 0.00 43.02 41.63 2bjh s PHE 65 CO 0.02 -0.41 1.04 0.50 0.70 0.00 0.00 175.22 177.07 2bjh s ARG 66 N 0.35 3.56 0.31 0.44 3.52 -0.89 -4.05 118.95 122.19 2bjh s ARG 66 Ca -0.18 1.22 -0.04 0.00 -0.13 0.00 0.00 55.73 56.60 2bjh s ARG 66 Cb -0.18 -2.07 0.07 0.00 -1.56 0.00 0.00 34.95 31.21 2bjh s ARG 66 CO 0.08 -0.61 0.42 0.41 -0.81 0.00 0.00 175.30 174.79 2bjh n GLY 67 N -0.83 -0.48 3.70 8.12 0.00 -1.24 -3.04 105.19 111.41 2bjh n GLY 67 Ca 0.09 -1.80 -0.57 0.00 0.00 0.00 0.00 46.02 43.74 2bjh n GLY 67 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2bjh n THR 68 N -2.35 0.28 -0.47 2.61 -1.04 -1.26 -4.73 114.28 107.32 2bjh n THR 68 Ca 0.06 -0.05 0.00 0.00 -2.04 0.00 0.00 64.05 62.02 2bjh n THR 68 Cb 0.20 -1.20 0.00 0.00 -1.82 0.00 0.00 70.33 67.51 2bjh n THR 68 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2bjh n GLY 69 N 4.02 0.56 3.84 3.41 0.00 -1.26 -5.04 105.19 110.72 2bjh n GLY 69 Ca 0.25 -0.03 -0.04 0.00 0.00 0.00 0.00 46.02 46.20 2bjh n GLY 69 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2bjh s SER 70 N -0.64 -0.03 0.31 1.61 1.04 -1.26 -5.00 113.70 109.73 2bjh s SER 70 Ca 0.01 -0.72 0.06 0.00 0.48 0.00 0.00 55.95 55.77 2bjh s SER 70 Cb 0.01 0.58 0.53 0.00 0.10 0.00 0.00 66.02 67.23 2bjh s SER 70 CO 0.00 -1.13 1.77 -2.24 0.98 0.00 0.00 173.24 172.62 2bjh h ASP 71 N 2.00 0.33 -0.21 7.02 2.03 -1.98 -1.78 116.42 123.82 2bjh h ASP 71 Ca -0.28 -0.11 -0.03 0.00 -0.73 0.00 0.00 57.03 55.88 2bjh h ASP 71 Cb 1.23 -0.09 -0.01 0.00 -0.83 0.00 0.00 39.33 39.63 2bjh h ASP 71 CO 0.35 0.60 -0.00 0.74 -1.03 0.00 0.00 179.24 179.90 2bjh h THR 72 N 0.30 1.26 -0.42 1.15 2.02 -1.95 -2.17 112.91 113.09 2bjh h THR 72 Ca 0.04 -0.88 -0.03 0.00 0.77 0.00 0.00 66.41 66.31 2bjh h THR 72 Cb 0.63 1.42 -0.02 0.00 -1.74 0.00 0.00 68.15 68.44 2bjh h THR 72 CO 0.05 0.27 0.12 0.78 0.37 0.00 0.00 175.52 177.10 2bjh h ASN 73 N 0.14 0.57 0.38 4.18 4.21 -1.71 -2.22 115.58 121.11 2bjh h ASN 73 Ca 0.06 -0.08 -0.06 0.00 1.21 0.00 0.00 56.30 57.43 2bjh h ASN 73 Cb 0.40 -0.15 -0.01 0.00 -1.12 0.00 0.00 38.32 37.45 2bjh h ASN 73 CO 0.01 0.56 -0.31 0.25 -1.29 0.00 0.00 177.43 176.65 2bjh h LEU 74 N 0.61 0.00 -1.05 1.61 5.85 -0.95 -1.10 115.31 120.28 2bjh h LEU 74 Ca 0.14 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.82 2bjh h LEU 74 Cb 0.21 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.21 2bjh h LEU 74 CO -0.01 0.31 0.23 1.56 -0.34 0.00 0.00 178.44 180.19 2bjh h GLN 75 N 0.00 0.91 -0.26 1.25 4.20 -0.77 -1.99 115.11 118.45 2bjh h GLN 75 Ca -0.00 -0.15 -0.05 0.00 0.06 0.00 0.00 58.65 58.50 2bjh h GLN 75 Cb 0.58 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 28.20 2bjh h GLN 75 CO 0.04 0.75 -0.05 -0.07 -0.67 0.00 0.00 178.83 178.83 2bjh h LEU 76 N 0.89 0.49 -0.21 1.46 3.38 -1.21 -3.14 115.31 116.96 2bjh h LEU 76 Ca 0.21 -0.36 0.06 0.00 0.09 0.00 0.00 57.88 57.88 2bjh h LEU 76 Cb 0.20 -0.13 -0.07 0.00 0.09 0.00 0.00 40.66 40.75 2bjh h LEU 76 CO -0.02 0.73 -0.25 0.44 0.09 0.00 0.00 178.44 179.44 2bjh h ASP 77 N 0.24 -0.79 0.45 -0.43 3.45 -0.66 -2.57 116.42 116.10 2bjh h ASP 77 Ca 0.07 0.14 0.00 0.00 0.43 0.00 0.00 57.03 57.66 2bjh h ASP 77 Cb 0.51 0.37 0.00 0.00 -0.56 0.00 0.00 39.33 39.65 2bjh h ASP 77 CO 0.02 -0.29 0.00 0.71 -1.57 0.00 0.00 179.24 178.11 2bjh h THR 78 N -0.28 0.00 -2.10 0.35 1.35 -1.41 -3.41 112.91 107.41 2bjh h THR 78 Ca 0.12 -0.20 -0.65 0.00 -0.55 0.00 0.00 66.41 65.13 2bjh h THR 78 Cb 0.47 1.05 -0.15 0.00 -1.73 0.00 0.00 68.15 67.79 2bjh h THR 78 CO -0.37 0.00 0.97 0.21 -0.25 0.00 0.00 175.52 176.09 2bjh s ASN 79 N -4.93 6.50 0.00 5.36 3.84 -0.97 -4.85 114.94 119.88 2bjh s ASN 79 Ca -0.01 -1.63 0.08 0.00 0.21 0.00 0.00 52.86 51.51 2bjh s ASN 79 Cb 0.10 -2.46 0.44 0.00 -0.55 0.00 0.00 41.25 38.79 2bjh s ASN 79 CO 0.41 -1.28 1.30 -1.22 -2.79 0.00 0.00 177.10 173.51 2bjh n TYR 80 N 7.50 0.06 -1.68 0.43 0.53 -1.26 -1.75 117.16 120.98 2bjh n TYR 80 Ca 0.21 -0.03 -0.43 0.00 -1.02 0.00 0.00 57.90 56.63 2bjh n TYR 80 Cb 0.49 0.00 -0.03 0.00 -1.03 0.00 0.00 39.34 38.77 2bjh n TYR 80 CO 0.00 0.00 0.00 2.41 -1.02 0.00 0.00 176.86 178.25 2bjh n THR 81 N -0.45 0.44 -2.53 -0.72 -1.04 -1.26 -4.60 114.28 104.12 2bjh n THR 81 Ca 0.07 -0.08 -0.41 0.00 -2.04 0.00 0.00 64.05 61.59 2bjh n THR 81 Cb 0.07 -2.13 -0.04 0.00 -1.82 0.00 0.00 70.33 66.41 2bjh n THR 81 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 2bjh s LEU 82 N 3.04 4.52 -0.07 -4.42 1.43 -1.26 -0.06 118.68 121.87 2bjh s LEU 82 Ca 0.84 2.13 -0.09 0.00 -1.03 0.00 0.00 54.13 55.98 2bjh s LEU 82 Cb -0.49 -3.61 0.02 0.00 0.03 0.00 0.00 46.19 42.14 2bjh s LEU 82 CO 0.39 -0.16 0.22 0.28 0.23 0.00 0.00 176.35 177.31 2bjh s THR 83 N -0.58 0.02 0.41 5.49 -1.32 -0.88 -4.90 115.64 113.87 2bjh s THR 83 Ca 0.47 -0.15 -0.27 0.00 -1.21 0.00 0.00 61.69 60.53 2bjh s THR 83 Cb -0.30 -0.37 -0.10 0.00 -1.51 0.00 0.00 72.50 70.22 2bjh s THR 83 CO 0.36 -0.08 1.44 -2.65 -2.21 0.00 0.00 174.62 171.48 2bjh n PRO 84 N 2.57 2.42 -1.91 7.08 -0.02 -1.26 -0.35 135.00 143.53 2bjh n PRO 84 Ca -0.15 0.85 -0.41 0.00 -2.02 0.00 0.00 63.50 61.77 2bjh n PRO 84 Cb 0.58 -2.61 -0.01 0.00 -0.02 0.00 0.00 33.50 31.44 2bjh n PRO 84 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 2bjh n PHE 85 N 0.13 2.90 0.10 6.00 7.35 -0.92 -4.76 117.46 128.27 2bjh n PHE 85 Ca 0.03 -2.90 0.06 0.00 -0.76 0.00 0.00 57.45 53.89 2bjh n PHE 85 Cb 0.40 -2.18 0.34 0.00 0.35 0.00 0.00 39.48 38.39 2bjh n PHE 85 CO 0.00 0.00 0.00 -0.25 -0.76 0.00 0.00 176.76 175.75 2bjh n ASP 86 N 3.88 0.32 0.19 -2.13 8.00 -1.26 -1.41 116.55 124.15 2bjh n ASP 86 Ca 0.55 0.65 0.08 0.00 0.71 0.00 0.00 54.79 56.78 2bjh n ASP 86 Cb 0.32 -0.69 0.15 0.00 -0.02 0.00 0.00 41.12 40.87 2bjh n ASP 86 CO 0.00 0.00 0.00 0.71 -0.39 0.00 0.00 177.20 177.52 2bjh h THR 87 N 0.00 0.40 -2.48 -3.53 1.35 -2.01 -3.35 112.91 103.29 2bjh h THR 87 Ca 0.00 -1.51 -0.60 0.00 -0.55 0.00 0.00 66.41 63.75 2bjh h THR 87 Cb 0.00 2.15 -0.41 0.00 -1.73 0.00 0.00 68.15 68.16 2bjh h THR 87 CO 0.00 0.22 -0.71 -0.11 -0.25 0.00 0.00 175.52 174.67 2bjh n LEU 88 N -3.17 2.44 -0.30 3.87 7.94 -0.50 -4.95 117.00 122.33 2bjh n LEU 88 Ca 0.03 -5.12 0.18 0.00 -1.11 0.00 0.00 56.01 49.99 2bjh n LEU 88 Cb 0.60 -0.35 0.46 0.00 0.53 0.00 0.00 43.42 44.67 2bjh n LEU 88 CO 0.36 1.94 1.22 -0.65 -1.11 0.00 0.00 177.39 179.15 2bjh h PRO 89 N 4.73 0.49 0.00 1.96 0.11 -1.71 -1.24 132.00 136.34 2bjh h PRO 89 Ca 0.17 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.25 2bjh h PRO 89 Cb 0.76 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 31.76 2bjh h PRO 89 CO 0.68 0.32 0.00 0.00 -0.21 0.00 0.00 178.00 178.79 2bjh n GLN 90 N -4.61 0.09 -3.37 1.05 0.00 -1.26 -3.80 117.38 105.48 2bjh n GLN 90 Ca 0.22 0.06 -0.45 0.00 0.00 0.00 0.00 57.00 56.83 2bjh n GLN 90 Cb 0.71 -1.50 -0.01 0.00 0.00 0.00 0.00 30.24 29.44 2bjh n GLN 90 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2bjh n ASN 92 N 3.00 2.87 -0.77 0.00 5.15 -1.25 -2.19 115.26 122.08 2bjh n ASN 92 Ca 0.21 1.04 -0.10 0.00 -0.60 0.00 0.00 54.58 55.13 2bjh n ASN 92 Cb 0.41 -1.29 -0.04 0.00 -0.53 0.00 0.00 39.78 38.33 2bjh n ASN 92 CO 0.00 0.00 0.00 0.47 1.40 0.00 0.00 177.26 179.13 2bjh n ASP 93 N 5.30 -5.49 -4.77 1.20 8.00 -1.26 -4.83 116.55 114.70 2bjh n ASP 93 Ca 0.22 0.24 -0.39 0.00 0.71 0.00 0.00 54.79 55.57 2bjh n ASP 93 Cb 0.23 -3.99 -0.04 0.00 -0.02 0.00 0.00 41.12 37.31 2bjh n ASP 93 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2bjh s GLU 95 N -1.79 0.06 0.47 0.00 2.02 -1.26 -2.16 118.70 116.04 2bjh s GLU 95 Ca 0.49 -0.02 0.02 0.00 0.02 0.00 0.00 54.97 55.49 2bjh s GLU 95 Cb -0.31 -0.08 -0.02 0.00 0.10 0.00 0.00 34.13 33.82 2bjh s GLU 95 CO 0.39 0.01 0.04 0.14 0.02 0.00 0.00 175.26 175.86 2bjh s VAL 96 N 0.05 1.11 0.00 2.63 -7.23 0.53 -0.79 120.40 116.70 2bjh s VAL 96 Ca -0.00 -2.00 -0.30 0.00 -1.81 0.00 0.00 61.98 57.86 2bjh s VAL 96 Cb -0.01 -2.32 -0.09 0.00 0.56 0.00 0.00 36.38 34.52 2bjh s VAL 96 CO -0.00 0.00 2.00 1.57 -0.31 0.00 0.00 175.10 178.35 2bjh n HIS 97 N -1.12 2.45 0.04 2.82 -0.00 -0.27 -2.08 115.22 117.06 2bjh n HIS 97 Ca -0.14 -0.33 -0.12 0.00 0.46 0.00 0.00 57.72 57.59 2bjh n HIS 97 Cb 0.66 -2.79 -0.06 0.00 -0.12 0.00 0.00 29.99 27.69 2bjh n HIS 97 CO 0.00 0.00 0.00 0.78 0.46 0.00 0.00 176.34 177.58 2bjh h GLY 98 N 10.93 -0.62 1.09 1.57 0.00 -0.51 0.46 103.07 115.99 2bjh h GLY 98 Ca -0.49 0.45 0.05 0.00 0.00 0.00 0.00 47.33 47.34 2bjh h GLY 98 CO 0.94 -0.24 0.48 -1.33 0.00 0.00 0.00 176.54 176.40 2bjh h GLY 99 N -0.50 1.00 2.00 4.60 0.00 -1.48 0.84 103.07 109.53 2bjh h GLY 99 Ca 0.06 -0.33 -0.11 0.00 0.00 0.00 0.00 47.33 46.95 2bjh h GLY 99 CO -0.31 0.27 -0.54 -0.97 0.00 0.00 0.00 176.54 174.98 2bjh h TYR 100 N 0.83 0.00 -0.29 5.60 0.99 -1.56 -2.02 116.97 120.52 2bjh h TYR 100 Ca 0.31 0.00 -0.18 0.00 2.00 0.00 0.00 58.73 60.86 2bjh h TYR 100 Cb 0.16 0.00 -0.00 0.00 1.00 0.00 0.00 36.73 37.89 2bjh h TYR 100 CO -0.00 0.54 -0.52 -0.92 -0.00 0.00 0.00 178.16 177.26 2bjh h TYR 101 N 0.00 1.03 -0.78 4.88 3.20 0.13 0.18 116.97 125.62 2bjh h TYR 101 Ca -0.01 -0.36 0.04 0.00 3.14 0.00 0.00 58.73 61.54 2bjh h TYR 101 Cb 1.22 -0.20 -0.05 0.00 1.54 0.00 0.00 36.73 39.24 2bjh h TYR 101 CO 0.00 1.17 0.49 0.82 -1.64 0.00 0.00 178.16 179.00 2bjh h ILE 102 N 0.64 1.10 -0.27 1.81 1.08 -0.56 0.20 117.51 121.52 2bjh h ILE 102 Ca 0.02 -0.33 -0.09 0.00 -0.39 0.00 0.00 64.86 64.08 2bjh h ILE 102 Cb 1.11 0.07 -0.01 0.00 -3.07 0.00 0.00 36.82 34.93 2bjh h ILE 102 CO 0.11 0.17 -0.19 1.23 -0.69 0.00 0.00 178.15 178.79 2bjh h GLY 103 N 0.95 0.66 0.51 5.37 0.00 -1.20 -2.84 103.07 106.51 2bjh h GLY 103 Ca 0.31 -0.63 0.03 0.00 0.00 0.00 0.00 47.33 47.05 2bjh h GLY 103 CO -0.12 0.57 -0.20 -0.25 0.00 0.00 0.00 176.54 176.54 2bjh h TRP 104 N 0.33 -0.52 0.00 5.60 -0.00 -0.29 -2.01 115.95 119.05 2bjh h TRP 104 Ca 0.05 0.02 0.00 0.00 -0.00 0.00 0.00 58.89 58.96 2bjh h TRP 104 Cb 0.72 0.24 0.00 0.00 -0.00 0.00 0.00 29.16 30.12 2bjh h TRP 104 CO 0.07 -0.28 0.00 -0.84 -0.00 0.00 0.00 178.44 177.39 2bjh h ILE 105 N -0.31 0.00 0.00 2.65 3.07 -1.03 0.16 117.51 122.05 2bjh h ILE 105 Ca 0.06 -0.34 0.00 0.00 1.55 0.00 0.00 64.86 66.14 2bjh h ILE 105 Cb 0.40 1.24 0.00 0.00 -0.27 0.00 0.00 36.82 38.18 2bjh h ILE 105 CO -0.20 0.00 0.00 0.77 -1.05 0.00 0.00 178.15 177.67 2bjh h SER 106 N 0.00 0.00 0.00 2.16 4.64 -1.11 -3.34 113.55 115.91 2bjh h SER 106 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2bjh h SER 106 Cb 0.37 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.46 2bjh h SER 106 CO 0.00 0.00 0.00 1.33 -0.87 0.00 0.00 176.83 177.29 2bjh n VAL 107 N -2.53 0.00 -0.31 0.95 0.24 -0.84 -4.84 118.33 110.99 2bjh n VAL 107 Ca 0.03 -0.20 -0.08 0.00 -2.04 0.00 0.00 64.34 62.05 2bjh n VAL 107 Cb 0.37 1.22 -0.07 0.00 -1.47 0.00 0.00 33.84 33.89 2bjh n VAL 107 CO 0.00 0.00 0.00 1.67 -2.14 0.00 0.00 176.83 176.36 2bjh n GLN 108 N -0.25 -0.33 -0.25 7.34 7.27 0.51 0.14 117.38 131.81 2bjh n GLN 108 Ca 0.00 1.31 -0.01 0.00 0.07 0.00 0.00 57.00 58.37 2bjh n GLN 108 Cb 0.06 -1.93 0.19 0.00 2.41 0.00 0.00 30.24 30.97 2bjh n GLN 108 CO 0.00 0.00 0.00 -0.44 0.07 0.00 0.00 177.06 176.69 2bjh h ASP 109 N 0.00 0.94 0.19 1.69 3.32 -1.87 0.40 116.42 121.10 2bjh h ASP 109 Ca 0.12 -0.05 -0.01 0.00 0.02 0.00 0.00 57.03 57.11 2bjh h ASP 109 Cb 0.30 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 39.62 2bjh h ASP 109 CO -0.70 0.72 -0.09 -0.61 -1.72 0.00 0.00 179.24 176.85 2bjh h GLN 110 N 1.09 -0.24 -0.85 3.56 4.15 -1.24 -0.20 115.11 121.39 2bjh h GLN 110 Ca 0.28 0.02 0.06 0.00 0.77 0.00 0.00 58.65 59.78 2bjh h GLN 110 Cb -0.05 0.06 -0.05 0.00 0.21 0.00 0.00 27.48 27.65 2bjh h GLN 110 CO -0.05 0.04 0.55 0.28 -1.93 0.00 0.00 178.83 177.71 2bjh h VAL 111 N -0.52 1.05 0.00 2.39 2.07 0.17 -1.11 116.25 120.31 2bjh h VAL 111 Ca -0.03 -0.32 -0.11 0.00 0.82 0.00 0.00 66.70 67.06 2bjh h VAL 111 Cb 0.39 0.03 -0.02 0.00 -1.52 0.00 0.00 31.29 30.17 2bjh h VAL 111 CO 0.04 0.17 -0.52 -0.33 0.02 0.00 0.00 177.57 176.95 2bjh h GLU 112 N 0.94 0.00 0.05 1.57 5.08 -0.11 -2.45 114.58 119.66 2bjh h GLU 112 Ca 0.36 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.72 2bjh h GLU 112 Cb 0.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.46 2bjh h GLU 112 CO -0.13 0.52 -0.02 0.77 -1.00 0.00 0.00 179.01 179.15 2bjh h SER 113 N 0.00 -0.06 -0.65 1.42 0.02 -0.21 -2.50 113.55 111.57 2bjh h SER 113 Ca -0.01 -0.45 -0.08 0.00 -0.84 0.00 0.00 61.79 60.41 2bjh h SER 113 Cb 1.37 0.01 -0.03 0.00 0.14 0.00 0.00 62.40 63.90 2bjh h SER 113 CO 0.07 0.43 0.09 -0.07 -1.14 0.00 0.00 176.83 176.21 2bjh h LEU 114 N -0.57 1.06 -0.04 5.07 3.38 -1.31 -0.14 115.31 122.76 2bjh h LEU 114 Ca -0.01 -0.26 -0.00 0.00 0.09 0.00 0.00 57.88 57.70 2bjh h LEU 114 Cb 0.50 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.97 2bjh h LEU 114 CO 0.01 1.06 0.02 0.58 0.09 0.00 0.00 178.44 180.20 2bjh h VAL 115 N 1.02 1.05 -0.17 1.22 2.07 -1.50 -2.05 116.25 117.89 2bjh h VAL 115 Ca 0.20 -0.13 -0.02 0.00 0.82 0.00 0.00 66.70 67.56 2bjh h VAL 115 Cb 0.46 1.07 -0.01 0.00 -1.52 0.00 0.00 31.29 31.30 2bjh h VAL 115 CO 0.02 0.04 0.02 0.50 0.02 0.00 0.00 177.57 178.17 2bjh h LYS 116 N 0.00 0.25 -0.59 1.57 3.64 -1.27 -0.16 116.57 120.01 2bjh h LYS 116 Ca 0.01 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 2bjh h LYS 116 Cb 0.05 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 31.79 2bjh h LYS 116 CO -0.00 0.25 0.38 0.37 -2.27 0.00 0.00 179.45 178.18 2bjh h GLN 117 N 0.25 0.78 0.10 1.90 4.15 -0.29 0.14 115.11 122.13 2bjh h GLN 117 Ca 0.06 -0.05 -0.27 0.00 0.77 0.00 0.00 58.65 59.16 2bjh h GLN 117 Cb 0.13 -0.17 -0.01 0.00 0.21 0.00 0.00 27.48 27.64 2bjh h GLN 117 CO -0.00 0.53 -1.40 1.96 -1.93 0.00 0.00 178.83 177.98 2bjh h GLN 118 N 0.80 0.20 -0.28 1.69 1.08 -1.09 -3.36 115.11 114.16 2bjh h GLN 118 Ca 0.22 -0.35 -0.01 0.00 -1.45 0.00 0.00 58.65 57.06 2bjh h GLN 118 Cb -0.08 0.13 -0.01 0.00 -0.05 0.00 0.00 27.48 27.46 2bjh h GLN 118 CO -0.05 1.17 0.15 0.00 -0.95 0.00 0.00 178.83 179.15 2bjh h ALA 119 N -0.09 1.73 0.00 3.87 0.00 -0.91 -0.19 119.26 123.67 2bjh h ALA 119 Ca -0.31 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.52 2bjh h ALA 119 Cb 1.70 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 19.37 2bjh h ALA 119 CO 0.02 0.23 -0.14 0.66 0.00 0.00 0.00 179.25 180.02 2bjh h SER 120 N 0.39 0.00 0.45 0.00 4.64 -0.87 -2.08 113.55 116.07 2bjh h SER 120 Ca 0.10 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.30 2bjh h SER 120 Cb 0.02 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.09 2bjh h SER 120 CO -0.02 0.14 -1.66 0.00 -0.87 0.00 0.00 176.83 174.42 2bjh n GLN 121 N -3.44 0.64 -3.29 4.77 6.02 -0.24 -4.57 117.38 117.26 2bjh n GLN 121 Ca -0.01 0.05 -0.25 0.00 -0.01 0.00 0.00 57.00 56.78 2bjh n GLN 121 Cb 0.31 -1.69 -0.07 0.00 1.02 0.00 0.00 30.24 29.81 2bjh n GLN 121 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 2bjh n TYR 122 N -2.66 1.32 -0.30 1.08 4.01 -0.28 -4.97 117.16 115.36 2bjh n TYR 122 Ca -0.10 -3.81 0.12 0.00 -0.16 0.00 0.00 57.90 53.94 2bjh n TYR 122 Cb 0.77 -0.43 0.28 0.00 -0.31 0.00 0.00 39.34 39.65 2bjh n TYR 122 CO 0.00 0.00 0.00 -1.35 -0.46 0.00 0.00 176.86 175.05 2bjh h PRO 123 N 4.10 0.42 0.00 -0.72 0.11 -1.63 -1.67 132.00 132.61 2bjh h PRO 123 Ca 0.13 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.21 2bjh h PRO 123 Cb 0.79 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 31.80 2bjh h PRO 123 CO 0.62 0.27 -0.02 -0.25 -0.21 0.00 0.00 178.00 178.41 2bjh n ASP 124 N -5.02 0.04 -4.77 -2.05 9.92 -1.26 -4.89 116.55 108.51 2bjh n ASP 124 Ca 0.21 0.47 -0.37 0.00 -0.53 0.00 0.00 54.79 54.56 2bjh n ASP 124 Cb 0.60 -0.47 -0.02 0.00 -0.64 0.00 0.00 41.12 40.59 2bjh n ASP 124 CO 0.00 0.00 0.00 -0.31 0.13 0.00 0.00 177.20 177.02 2bjh s TYR 125 N -3.00 3.04 0.63 1.24 1.51 -0.63 -5.01 117.35 115.13 2bjh s TYR 125 Ca 0.14 1.57 -0.13 0.00 -1.01 0.00 0.00 57.07 57.63 2bjh s TYR 125 Cb 0.19 -3.33 -0.02 0.00 -0.11 0.00 0.00 41.96 38.68 2bjh s TYR 125 CO 0.54 -1.24 1.04 0.00 -1.11 0.00 0.00 175.55 174.78 2bjh s ALA 126 N -1.51 2.82 -0.23 3.71 0.00 -0.77 -4.78 121.76 120.98 2bjh s ALA 126 Ca 0.60 0.16 -0.01 0.00 0.00 0.00 0.00 51.96 52.70 2bjh s ALA 126 Cb -0.28 -3.17 0.02 0.00 0.00 0.00 0.00 23.12 19.69 2bjh s ALA 126 CO 0.35 -0.88 -0.08 -0.51 0.00 0.00 0.00 175.76 174.64 2bjh s LEU 127 N -4.97 3.00 -0.09 0.00 1.43 0.12 -0.11 118.68 118.06 2bjh s LEU 127 Ca 0.59 -0.78 0.00 0.00 -1.03 0.00 0.00 54.13 52.91 2bjh s LEU 127 Cb -0.14 -1.65 -0.03 0.00 0.03 0.00 0.00 46.19 44.41 2bjh s LEU 127 CO 0.46 -0.10 -0.09 -0.89 0.23 0.00 0.00 176.35 175.97 2bjh s THR 128 N 1.34 3.48 -0.07 5.49 2.01 -0.51 0.18 115.64 127.56 2bjh s THR 128 Ca 0.01 -0.54 0.05 0.00 0.31 0.00 0.00 61.69 61.52 2bjh s THR 128 Cb -0.16 -2.44 -0.00 0.00 0.01 0.00 0.00 72.50 69.91 2bjh s THR 128 CO -0.06 0.56 -0.21 -0.69 -0.69 0.00 0.00 174.62 173.53 2bjh s VAL 129 N -0.36 1.81 0.20 3.82 1.01 0.32 -0.38 120.40 126.82 2bjh s VAL 129 Ca 0.05 -0.91 -0.09 0.00 0.00 0.00 0.00 61.98 61.03 2bjh s VAL 129 Cb -0.12 -1.56 -0.01 0.00 0.00 0.00 0.00 36.38 34.69 2bjh s VAL 129 CO 0.02 0.51 0.33 0.28 0.00 0.00 0.00 175.10 176.24 2bjh s THR 130 N 0.14 0.03 0.00 3.92 -1.32 -0.39 -1.40 115.64 116.61 2bjh s THR 130 Ca -0.10 -1.48 0.00 0.00 -1.21 0.00 0.00 61.69 58.90 2bjh s THR 130 Cb -0.15 -2.07 0.00 0.00 -1.51 0.00 0.00 72.50 68.77 2bjh s THR 130 CO 0.05 -0.14 0.00 0.61 -2.21 0.00 0.00 174.62 172.93 2bjh n GLY 131 N -0.28 1.98 3.32 6.08 0.00 -1.11 -1.99 105.19 113.18 2bjh n GLY 131 Ca -0.04 -0.86 -0.32 0.00 0.00 0.00 0.00 46.02 44.79 2bjh n GLY 131 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2bjh s HIS 132 N -2.00 2.66 0.00 1.61 2.46 -1.26 -1.03 115.29 117.74 2bjh s HIS 132 Ca 0.00 -0.74 0.00 0.00 0.47 0.00 0.00 55.06 54.79 2bjh s HIS 132 Cb 0.00 -1.74 0.00 0.00 -0.13 0.00 0.00 32.58 30.71 2bjh s HIS 132 CO 0.00 -0.24 0.00 0.00 -2.47 0.00 0.00 174.74 172.03 2bjh n ALA 133 N 3.32 0.00 -0.33 1.58 0.00 1.00 -1.84 120.51 124.24 2bjh n ALA 133 Ca -0.18 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.39 2bjh n ALA 133 Cb 0.53 0.00 0.32 0.00 0.00 0.00 0.00 19.45 20.29 2bjh n ALA 133 CO 0.00 0.00 0.00 1.37 0.00 0.00 0.00 177.50 178.87 2bjh h LEU 134 N 0.00 0.57 -1.58 0.00 8.10 -1.88 1.58 115.31 122.11 2bjh h LEU 134 Ca 0.00 0.12 0.02 0.00 0.11 0.00 0.00 57.88 58.13 2bjh h LEU 134 Cb 0.00 0.04 -0.02 0.00 -0.44 0.00 0.00 40.66 40.24 2bjh h LEU 134 CO 0.00 0.13 0.31 1.23 -4.11 0.00 0.00 178.44 176.00 2bjh h GLY 135 N 0.58 0.62 0.99 0.17 0.00 -1.28 -0.47 103.07 103.67 2bjh h GLY 135 Ca 0.57 -0.22 -0.09 0.00 0.00 0.00 0.00 47.33 47.59 2bjh h GLY 135 CO -0.45 0.21 -0.10 0.00 0.00 0.00 0.00 176.54 176.20 2bjh h ALA 136 N 1.72 0.57 -0.15 3.60 0.00 0.23 -1.07 119.26 124.16 2bjh h ALA 136 Ca 0.18 -0.32 -0.11 0.00 0.00 0.00 0.00 54.91 54.66 2bjh h ALA 136 Cb 0.01 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 2bjh h ALA 136 CO -0.04 0.44 -0.37 0.77 0.00 0.00 0.00 179.25 180.05 2bjh h SER 137 N 0.61 0.34 0.41 0.00 0.02 -0.64 -0.77 113.55 113.52 2bjh h SER 137 Ca 0.10 -0.14 -0.06 0.00 -0.84 0.00 0.00 61.79 60.86 2bjh h SER 137 Cb 0.62 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 63.06 2bjh h SER 137 CO 0.04 0.69 -0.28 0.24 -1.14 0.00 0.00 176.83 176.38 2bjh h MET 138 N 0.28 0.00 0.02 3.45 2.86 -0.87 -2.24 114.93 118.43 2bjh h MET 138 Ca 0.03 0.00 -0.14 0.00 -2.06 0.00 0.00 59.70 57.53 2bjh h MET 138 Cb 0.79 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.46 2bjh h MET 138 CO 0.06 0.28 -0.54 0.00 1.06 0.00 0.00 176.91 177.77 2bjh h ALA 139 N 1.72 0.04 -0.15 6.32 0.00 -0.39 -2.83 119.26 123.97 2bjh h ALA 139 Ca -0.00 -0.56 0.04 0.00 0.00 0.00 0.00 54.91 54.38 2bjh h ALA 139 Cb 0.56 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.35 2bjh h ALA 139 CO 0.04 0.29 -0.10 0.00 0.00 0.00 0.00 179.25 179.48 2bjh h ALA 140 N 0.27 0.03 -0.60 0.00 0.00 -0.89 0.63 119.26 118.69 2bjh h ALA 140 Ca -0.07 0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 2bjh h ALA 140 Cb 1.28 0.22 -0.03 0.00 0.00 0.00 0.00 17.79 19.26 2bjh h ALA 140 CO 0.11 -0.54 0.24 -0.07 0.00 0.00 0.00 179.25 178.98 2bjh h LEU 141 N -0.10 0.79 -0.01 0.00 3.38 -1.53 0.16 115.31 118.01 2bjh h LEU 141 Ca 0.09 -0.10 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 2bjh h LEU 141 Cb 0.23 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.77 2bjh h LEU 141 CO -0.21 0.71 0.00 0.74 0.09 0.00 0.00 178.44 179.77 2bjh h THR 142 N 0.86 1.25 -0.21 0.22 2.02 -1.05 -1.44 112.91 114.55 2bjh h THR 142 Ca 0.20 -0.73 0.06 0.00 0.77 0.00 0.00 66.41 66.71 2bjh h THR 142 Cb 0.17 1.72 -0.06 0.00 -1.74 0.00 0.00 68.15 68.24 2bjh h THR 142 CO -0.02 0.19 -0.22 0.00 0.37 0.00 0.00 175.52 175.85 2bjh h ALA 143 N 0.70 -0.11 -0.32 6.16 0.00 0.59 0.15 119.26 126.42 2bjh h ALA 143 Ca 0.00 0.07 0.07 0.00 0.00 0.00 0.00 54.91 55.06 2bjh h ALA 143 Cb 0.31 0.45 -0.08 0.00 0.00 0.00 0.00 17.79 18.48 2bjh h ALA 143 CO 0.00 -0.65 -0.20 0.00 0.00 0.00 0.00 179.25 178.40 2bjh h ALA 144 N 0.81 0.01 0.00 0.00 0.00 -0.86 0.35 119.26 119.58 2bjh h ALA 144 Ca 0.13 0.11 0.01 0.00 0.00 0.00 0.00 54.91 55.16 2bjh h ALA 144 Cb 0.43 0.46 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 2bjh h ALA 144 CO -0.35 -0.60 -0.06 0.37 0.00 0.00 0.00 179.25 178.61 2bjh h GLN 145 N -0.17 -0.10 -0.85 0.00 5.75 -0.51 -2.35 115.11 116.88 2bjh h GLN 145 Ca 0.17 0.01 0.08 0.00 -0.15 0.00 0.00 58.65 58.75 2bjh h GLN 145 Cb 0.42 0.02 -0.06 0.00 1.07 0.00 0.00 27.48 28.94 2bjh h GLN 145 CO -0.42 -0.07 0.56 -0.07 -2.65 0.00 0.00 178.83 176.17 2bjh h LEU 146 N -0.11 0.80 -1.89 -2.39 3.38 0.22 -2.30 115.31 113.02 2bjh h LEU 146 Ca 0.02 0.01 0.24 0.00 0.09 0.00 0.00 57.88 58.25 2bjh h LEU 146 Cb 0.13 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.69 2bjh h LEU 146 CO -0.06 0.50 0.70 0.28 0.09 0.00 0.00 178.44 179.95 2bjh h SER 147 N 0.90 0.00 0.73 -0.43 0.02 0.23 0.33 113.55 115.33 2bjh h SER 147 Ca 0.38 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.33 2bjh h SER 147 Cb 0.30 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.84 2bjh h SER 147 CO -0.15 0.00 -0.21 0.00 -1.14 0.00 0.00 176.83 175.33 2bjh n ALA 148 N -2.56 2.86 -0.06 3.77 0.00 -0.86 -4.34 120.51 119.31 2bjh n ALA 148 Ca 0.17 -0.22 -0.14 0.00 0.00 0.00 0.00 53.44 53.26 2bjh n ALA 148 Cb 0.99 -1.32 -0.05 0.00 0.00 0.00 0.00 19.45 19.08 2bjh n ALA 148 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2bjh n THR 149 N -1.44 0.71 -3.80 0.00 -1.04 0.10 -5.06 114.28 103.76 2bjh n THR 149 Ca 0.07 -0.18 -0.21 0.00 -2.04 0.00 0.00 64.05 61.69 2bjh n THR 149 Cb 0.33 -1.65 -0.03 0.00 -1.82 0.00 0.00 70.33 67.16 2bjh n THR 149 CO 0.00 0.00 0.00 -0.31 -0.64 0.00 0.00 175.07 174.12 2bjh s TYR 150 N -2.24 2.95 -0.22 -1.42 1.51 -0.48 -5.07 117.35 112.38 2bjh s TYR 150 Ca -0.18 -0.28 0.08 0.00 -1.01 0.00 0.00 57.07 55.68 2bjh s TYR 150 Cb 0.07 -1.79 -0.19 0.00 -0.11 0.00 0.00 41.96 39.94 2bjh s TYR 150 CO 0.23 0.19 -0.10 -0.25 -1.11 0.00 0.00 175.55 174.50 2bjh n ASP 151 N -1.39 1.32 -3.68 2.29 10.43 -1.26 -4.53 116.55 119.72 2bjh n ASP 151 Ca -0.02 -0.08 -0.41 0.00 2.57 0.00 0.00 54.79 56.85 2bjh n ASP 151 Cb 0.59 0.17 0.00 0.00 1.84 0.00 0.00 41.12 43.72 2bjh n ASP 151 CO 0.00 0.00 0.00 -0.46 -1.07 0.00 0.00 177.20 175.67 2bjh n ASN 152 N -3.02 6.78 -4.54 -2.24 2.04 -1.26 -4.97 115.26 108.06 2bjh n ASN 152 Ca -0.39 -3.22 -0.34 0.00 -0.44 0.00 0.00 54.58 50.19 2bjh n ASN 152 Cb 1.03 -1.37 -0.11 0.00 -2.53 0.00 0.00 39.78 36.80 2bjh n ASN 152 CO 0.00 0.00 0.00 -0.69 -0.44 0.00 0.00 177.26 176.13 2bjh s VAL 153 N -1.14 4.24 0.07 3.53 1.01 -1.26 0.10 120.40 126.96 2bjh s VAL 153 Ca 0.45 -0.23 0.10 0.00 0.00 0.00 0.00 61.98 62.30 2bjh s VAL 153 Cb 0.14 -2.89 -0.03 0.00 0.00 0.00 0.00 36.38 33.60 2bjh s VAL 153 CO -0.04 0.47 -0.26 -0.13 0.00 0.00 0.00 175.10 175.13 2bjh s ARG 154 N 0.49 1.68 -0.06 2.72 1.81 0.13 -4.90 118.95 120.82 2bjh s ARG 154 Ca -0.01 -1.19 0.03 0.00 -1.72 0.00 0.00 55.73 52.84 2bjh s ARG 154 Cb -0.14 -1.96 0.01 0.00 -0.45 0.00 0.00 34.95 32.42 2bjh s ARG 154 CO 0.02 0.49 -0.13 -1.17 -0.68 0.00 0.00 175.30 173.83 2bjh s LEU 155 N -1.51 1.69 -0.24 2.53 2.96 0.31 -0.52 118.68 123.91 2bjh s LEU 155 Ca 0.13 -0.30 -0.01 0.00 -0.22 0.00 0.00 54.13 53.73 2bjh s LEU 155 Cb -0.10 -0.84 0.07 0.00 0.50 0.00 0.00 46.19 45.82 2bjh s LEU 155 CO 0.03 0.05 0.01 -0.31 -1.32 0.00 0.00 176.35 174.81 2bjh s TYR 156 N 0.55 1.85 0.28 5.38 1.51 -0.49 -0.23 117.35 126.19 2bjh s TYR 156 Ca -0.13 -1.49 0.09 0.00 -1.01 0.00 0.00 57.07 54.53 2bjh s TYR 156 Cb -0.15 -1.46 -0.04 0.00 -0.11 0.00 0.00 41.96 40.20 2bjh s TYR 156 CO 0.03 -0.74 0.07 0.95 -1.11 0.00 0.00 175.55 174.76 2bjh s THR 157 N 1.58 3.62 -0.13 -0.71 -4.23 -0.46 -2.76 115.64 112.54 2bjh s THR 157 Ca -0.01 -1.75 -0.04 0.00 -1.18 0.00 0.00 61.69 58.72 2bjh s THR 157 Cb -0.18 -3.01 0.05 0.00 1.34 0.00 0.00 72.50 70.70 2bjh s THR 157 CO -0.10 -0.33 0.08 -0.36 -0.54 0.00 0.00 174.62 173.36 2bjh s PHE 158 N -2.30 0.19 -1.01 3.99 0.40 -0.20 -1.57 117.98 117.48 2bjh s PHE 158 Ca 0.33 -0.15 -0.04 0.00 -0.60 0.00 0.00 56.93 56.47 2bjh s PHE 158 Cb -0.06 -0.64 0.00 0.00 0.51 0.00 0.00 43.02 42.84 2bjh s PHE 158 CO 0.22 -0.41 0.59 0.41 0.70 0.00 0.00 175.22 176.73 2bjh n GLY 159 N 5.28 -0.11 3.72 4.36 0.00 -0.84 -0.00 105.19 117.59 2bjh n GLY 159 Ca -0.06 -0.10 -0.42 0.00 0.00 0.00 0.00 46.02 45.44 2bjh n GLY 159 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2bjh s GLU 160 N -5.58 4.42 0.92 1.61 2.12 -1.26 -3.47 118.70 117.46 2bjh s GLU 160 Ca 0.29 1.86 -0.13 0.00 0.36 0.00 0.00 54.97 57.35 2bjh s GLU 160 Cb -0.13 -3.30 0.15 0.00 0.26 0.00 0.00 34.13 31.11 2bjh s GLU 160 CO 0.36 -0.25 1.15 -2.14 -0.54 0.00 0.00 175.26 173.84 2bjh s PRO 161 N 0.74 1.04 -0.52 4.30 0.02 -1.26 -3.88 135.00 135.44 2bjh s PRO 161 Ca 0.58 0.21 -0.27 0.00 0.02 0.00 0.00 61.00 61.54 2bjh s PRO 161 Cb -0.32 -1.83 -0.02 0.00 0.02 0.00 0.00 34.50 32.35 2bjh s PRO 161 CO 0.31 -2.25 1.80 1.03 -0.33 0.00 0.00 177.00 177.56 2bjh s ARG 162 N -5.35 2.90 0.16 5.54 0.52 0.21 -4.85 118.95 118.09 2bjh s ARG 162 Ca 0.65 0.85 0.22 0.00 -0.52 0.00 0.00 55.73 56.92 2bjh s ARG 162 Cb -0.13 -4.30 0.87 0.00 0.52 0.00 0.00 34.95 31.90 2bjh s ARG 162 CO 0.53 -2.40 1.66 0.43 0.02 0.00 0.00 175.30 175.54 2bjh n SER 163 N 11.74 0.45 -0.62 0.23 7.64 -1.26 -4.35 113.62 127.46 2bjh n SER 163 Ca 0.21 0.60 0.00 0.00 1.01 0.00 0.00 58.87 60.68 2bjh n SER 163 Cb 0.50 -0.70 0.00 0.00 -1.01 0.00 0.00 64.21 63.00 2bjh n SER 163 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2bjh n GLY 164 N 0.23 1.46 3.98 0.23 0.00 -1.26 -1.12 105.19 108.72 2bjh n GLY 164 Ca 0.03 -0.82 -0.23 0.00 0.00 0.00 0.00 46.02 45.01 2bjh n GLY 164 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2bjh s ASN 165 N 0.15 4.71 0.27 1.61 2.20 0.03 -0.73 114.94 123.18 2bjh s ASN 165 Ca 0.00 -0.22 -0.00 0.00 -0.94 0.00 0.00 52.86 51.69 2bjh s ASN 165 Cb 0.00 -0.35 0.58 0.00 -2.00 0.00 0.00 41.25 39.48 2bjh s ASN 165 CO 0.00 -1.59 1.72 -0.61 -2.94 0.00 0.00 177.10 173.69 2bjh h GLN 166 N -0.30 0.44 -0.19 3.55 5.75 -1.86 0.46 115.11 122.95 2bjh h GLN 166 Ca -0.38 -0.03 0.06 0.00 -0.15 0.00 0.00 58.65 58.14 2bjh h GLN 166 Cb 1.28 -0.10 -0.06 0.00 1.07 0.00 0.00 27.48 29.67 2bjh h GLN 166 CO 0.45 0.29 -0.23 0.00 -2.65 0.00 0.00 178.83 176.69 2bjh h ALA 167 N 1.62 -0.16 -0.91 3.38 0.00 -1.91 0.17 119.26 121.44 2bjh h ALA 167 Ca 0.48 0.06 0.09 0.00 0.00 0.00 0.00 54.91 55.54 2bjh h ALA 167 Cb 0.81 0.48 -0.06 0.00 0.00 0.00 0.00 17.79 19.01 2bjh h ALA 167 CO -0.45 -0.68 0.59 0.35 0.00 0.00 0.00 179.25 179.06 2bjh h PHE 168 N -0.26 1.01 -0.12 0.00 3.57 -1.26 -1.32 116.94 118.56 2bjh h PHE 168 Ca 0.12 0.03 -0.08 0.00 3.53 0.00 0.00 57.97 61.57 2bjh h PHE 168 Cb 0.45 -0.33 -0.01 0.00 2.79 0.00 0.00 35.95 38.85 2bjh h PHE 168 CO -0.37 0.48 -0.28 0.00 -2.23 0.00 0.00 178.31 175.92 2bjh h ALA 169 N 1.53 1.32 -0.06 2.41 0.00 0.76 -2.30 119.26 122.93 2bjh h ALA 169 Ca 0.41 -0.31 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 2bjh h ALA 169 Cb 0.33 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.04 2bjh h ALA 169 CO -0.17 0.47 -0.15 0.77 0.00 0.00 0.00 179.25 180.17 2bjh h SER 170 N 0.19 0.23 -0.30 0.00 0.02 0.20 -0.60 113.55 113.30 2bjh h SER 170 Ca 0.03 -0.59 0.07 0.00 -0.84 0.00 0.00 61.79 60.45 2bjh h SER 170 Cb 0.60 -0.07 -0.07 0.00 0.14 0.00 0.00 62.40 63.00 2bjh h SER 170 CO 0.04 0.78 -0.19 0.22 -1.14 0.00 0.00 176.83 176.54 2bjh h TYR 171 N -0.31 -0.49 -0.58 3.45 3.20 -1.33 0.63 116.97 121.53 2bjh h TYR 171 Ca -0.00 0.04 0.05 0.00 3.14 0.00 0.00 58.73 61.95 2bjh h TYR 171 Cb 0.75 0.26 -0.05 0.00 1.54 0.00 0.00 36.73 39.24 2bjh h TYR 171 CO 0.12 -0.27 0.31 0.52 -1.64 0.00 0.00 178.16 177.21 2bjh h MET 172 N -0.16 0.58 -0.53 1.82 2.86 -1.39 0.28 114.93 118.38 2bjh h MET 172 Ca 0.16 -0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.75 2bjh h MET 172 Cb 0.40 -0.13 -0.03 0.00 0.06 0.00 0.00 31.60 31.91 2bjh h MET 172 CO -0.40 0.38 0.30 -0.91 1.06 0.00 0.00 176.91 177.35 2bjh h ASN 173 N 0.60 0.65 -0.14 1.22 2.35 0.09 0.61 115.58 120.96 2bjh h ASN 173 Ca 0.26 -0.08 -0.19 0.00 -0.55 0.00 0.00 56.30 55.73 2bjh h ASN 173 Cb 0.14 -0.17 0.00 0.00 0.05 0.00 0.00 38.32 38.35 2bjh h ASN 173 CO -0.16 0.54 -0.63 -0.78 -1.65 0.00 0.00 177.43 174.74 2bjh h ASP 174 N 0.71 0.86 -0.26 5.81 3.58 -0.53 0.12 116.42 126.71 2bjh h ASP 174 Ca 0.19 -0.50 -0.08 0.00 0.42 0.00 0.00 57.03 57.06 2bjh h ASP 174 Cb 0.03 -0.25 -0.02 0.00 1.72 0.00 0.00 39.33 40.81 2bjh h ASP 174 CO -0.03 1.28 -0.11 0.00 -2.88 0.00 0.00 179.24 177.50 2bjh h ALA 175 N 0.72 1.10 -0.49 -0.78 0.00 -0.20 -3.17 119.26 116.44 2bjh h ALA 175 Ca -0.01 -0.30 -0.11 0.00 0.00 0.00 0.00 54.91 54.49 2bjh h ALA 175 Cb 1.24 -0.16 -0.07 0.00 0.00 0.00 0.00 17.79 18.80 2bjh h ALA 175 CO 0.13 0.56 0.09 1.19 0.00 0.00 0.00 179.25 181.22 2bjh n PHE 176 N -4.18 1.66 -4.00 0.00 3.01 0.18 -4.97 117.46 109.17 2bjh n PHE 176 Ca 0.01 -1.11 -0.30 0.00 1.01 0.00 0.00 57.45 57.06 2bjh n PHE 176 Cb 0.34 -0.51 -0.00 0.00 -0.01 0.00 0.00 39.48 39.31 2bjh n PHE 176 CO 0.00 0.00 0.00 1.04 1.01 0.00 0.00 176.76 178.81 2bjh n GLN 177 N -0.37 -4.24 0.11 -1.08 6.02 -0.96 -0.74 117.38 116.12 2bjh n GLN 177 Ca 0.32 0.49 0.12 0.00 -0.01 0.00 0.00 57.00 57.91 2bjh n GLN 177 Cb 1.14 -5.14 0.46 0.00 1.02 0.00 0.00 30.24 27.72 2bjh n GLN 177 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 2bjh n VAL 178 N -4.49 0.75 -0.09 5.09 0.31 0.39 -3.14 118.33 117.15 2bjh n VAL 178 Ca -0.05 0.10 0.25 0.00 -0.01 0.00 0.00 64.34 64.63 2bjh n VAL 178 Cb 0.56 -0.98 0.72 0.00 -0.91 0.00 0.00 33.84 33.23 2bjh n VAL 178 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 2bjh h SER 179 N 0.00 0.00 -4.19 4.52 0.02 -1.89 -3.40 113.55 108.61 2bjh h SER 179 Ca 0.00 0.00 -0.37 0.00 -0.84 0.00 0.00 61.79 60.58 2bjh h SER 179 Cb 0.45 0.00 -0.27 0.00 0.14 0.00 0.00 62.40 62.72 2bjh h SER 179 CO 0.00 0.00 -0.77 -0.55 -1.14 0.00 0.00 176.83 174.37 2bjh s SER 180 N -5.57 1.03 0.20 3.07 0.15 -1.21 -5.04 113.70 106.33 2bjh s SER 180 Ca -0.05 -0.27 0.09 0.00 0.70 0.00 0.00 55.95 56.42 2bjh s SER 180 Cb 0.19 -0.08 0.05 0.00 -1.71 0.00 0.00 66.02 64.48 2bjh s SER 180 CO 0.70 0.03 1.43 -0.65 1.20 0.00 0.00 173.24 175.95 2bjh h PRO 181 N 5.50 0.00 0.00 5.44 0.11 -1.85 -1.53 132.00 139.67 2bjh h PRO 181 Ca -0.32 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.79 2bjh h PRO 181 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 2bjh h PRO 181 CO 0.47 0.81 0.00 -1.91 -0.21 0.00 0.00 178.00 177.16 2bjh n GLU 182 N -3.52 0.22 0.00 1.05 2.13 -1.26 -2.89 120.64 116.37 2bjh n GLU 182 Ca -0.00 0.11 0.00 0.00 0.66 0.00 0.00 57.16 57.93 2bjh n GLU 182 Cb 0.79 -1.50 0.00 0.00 0.27 0.00 0.00 31.44 31.00 2bjh n GLU 182 CO 0.00 0.00 0.00 0.25 -0.41 0.00 0.00 177.13 176.97 2bjh n THR 183 N -1.34 0.00 -1.75 6.31 -2.24 -1.16 -5.08 114.28 109.02 2bjh n THR 183 Ca 0.08 -0.35 -0.42 0.00 -2.27 0.00 0.00 64.05 61.10 2bjh n THR 183 Cb 0.18 1.21 -0.01 0.00 -2.10 0.00 0.00 70.33 69.62 2bjh n THR 183 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 2bjh n THR 184 N -0.21 1.69 0.02 4.28 -1.04 -0.58 -4.67 114.28 113.77 2bjh n THR 184 Ca 0.00 -0.42 0.02 0.00 -2.04 0.00 0.00 64.05 61.61 2bjh n THR 184 Cb 0.05 -1.90 0.04 0.00 -1.82 0.00 0.00 70.33 66.70 2bjh n THR 184 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2bjh n GLN 185 N 0.99 1.62 -3.90 -2.82 6.02 0.08 -4.89 117.38 114.49 2bjh n GLN 185 Ca 0.04 -1.31 -0.30 0.00 -0.01 0.00 0.00 57.00 55.42 2bjh n GLN 185 Cb 0.38 -1.08 -0.15 0.00 1.02 0.00 0.00 30.24 30.40 2bjh n GLN 185 CO 0.00 0.00 0.00 -0.47 -1.01 0.00 0.00 177.06 175.58 2bjh s TYR 186 N -0.73 2.39 -0.36 1.08 5.04 -1.25 -0.53 117.35 122.99 2bjh s TYR 186 Ca 0.07 -1.90 -0.09 0.00 -2.44 0.00 0.00 57.07 52.70 2bjh s TYR 186 Cb 0.04 -1.80 0.04 0.00 0.35 0.00 0.00 41.96 40.59 2bjh s TYR 186 CO 0.05 -0.82 0.16 -0.06 -1.34 0.00 0.00 175.55 173.55 2bjh s PHE 187 N 1.39 3.26 -0.68 4.97 0.40 0.68 -3.08 117.98 124.92 2bjh s PHE 187 Ca 0.01 -1.24 -0.16 0.00 -0.60 0.00 0.00 56.93 54.94 2bjh s PHE 187 Cb -0.18 -2.40 0.15 0.00 0.51 0.00 0.00 43.02 41.10 2bjh s PHE 187 CO -0.11 -0.71 0.68 0.50 0.70 0.00 0.00 175.22 176.29 2bjh s ARG 188 N 1.47 3.25 -0.03 0.44 3.52 -0.96 -1.35 118.95 125.28 2bjh s ARG 188 Ca 0.00 -1.87 -0.26 0.00 -0.13 0.00 0.00 55.73 53.47 2bjh s ARG 188 Cb -0.20 -4.38 -0.04 0.00 -1.56 0.00 0.00 34.95 28.78 2bjh s ARG 188 CO 0.04 -1.40 0.82 0.08 -0.81 0.00 0.00 175.30 174.03 2bjh s VAL 189 N 1.46 4.95 0.20 7.11 1.01 -0.61 -0.39 120.40 134.13 2bjh s VAL 189 Ca 0.12 1.71 0.06 0.00 0.00 0.00 0.00 61.98 63.87 2bjh s VAL 189 Cb -0.20 -4.16 -0.05 0.00 0.00 0.00 0.00 36.38 31.97 2bjh s VAL 189 CO -0.01 0.22 -0.11 0.42 0.00 0.00 0.00 175.10 175.63 2bjh s THR 190 N 0.83 1.47 -0.01 3.92 -4.23 0.18 -1.99 115.64 115.82 2bjh s THR 190 Ca 0.43 -2.14 0.01 0.00 -1.18 0.00 0.00 61.69 58.82 2bjh s THR 190 Cb -0.19 -2.06 0.01 0.00 1.34 0.00 0.00 72.50 71.59 2bjh s THR 190 CO 0.22 -0.58 -0.02 -2.28 -0.54 0.00 0.00 174.62 171.42 2bjh s HIS 191 N -3.14 0.30 0.00 3.99 5.65 -1.26 0.86 115.29 121.70 2bjh s HIS 191 Ca 0.22 -0.04 0.00 0.00 0.25 0.00 0.00 55.06 55.49 2bjh s HIS 191 Cb 0.02 -0.26 0.00 0.00 -1.18 0.00 0.00 32.58 31.16 2bjh s HIS 191 CO 0.06 -0.04 0.00 0.43 -0.65 0.00 0.00 174.74 174.53 2bjh n SER 192 N 3.34 0.00 -2.19 9.88 7.64 0.09 -0.38 113.62 132.00 2bjh n SER 192 Ca -0.17 0.00 -0.30 0.00 1.01 0.00 0.00 58.87 59.41 2bjh n SER 192 Cb 0.56 0.00 0.08 0.00 -1.01 0.00 0.00 64.21 63.84 2bjh n SER 192 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 2bjh n ASN 193 N 1.38 6.55 -4.62 6.43 2.04 -1.26 -4.48 115.26 121.29 2bjh n ASN 193 Ca 0.00 -3.77 -0.51 0.00 -0.44 0.00 0.00 54.58 49.86 2bjh n ASN 193 Cb 0.00 -0.80 -0.05 0.00 -2.53 0.00 0.00 39.78 36.40 2bjh n ASN 193 CO 0.00 0.00 0.00 -0.67 -0.44 0.00 0.00 177.26 176.15 2bjh n ASP 194 N -0.89 2.16 0.15 0.53 -0.08 0.49 -3.68 116.55 115.22 2bjh n ASP 194 Ca 0.57 1.10 0.09 0.00 -1.51 0.00 0.00 54.79 55.04 2bjh n ASP 194 Cb 0.82 -1.26 0.07 0.00 2.34 0.00 0.00 41.12 43.09 2bjh n ASP 194 CO 0.00 0.00 0.00 1.23 0.12 0.00 0.00 177.20 178.55 2bjh h GLY 195 N 5.27 0.00 1.08 0.27 0.00 -1.77 -3.37 103.07 104.55 2bjh h GLY 195 Ca -0.47 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 46.77 2bjh h GLY 195 CO 0.83 0.00 0.03 -2.22 0.00 0.00 0.00 176.54 175.17 2bjh h ILE 196 N 0.00 1.27 0.00 2.60 1.08 -1.87 -2.19 117.51 118.39 2bjh h ILE 196 Ca -0.02 -1.13 0.00 0.00 -0.39 0.00 0.00 64.86 63.32 2bjh h ILE 196 Cb 1.13 0.76 0.00 0.00 -3.07 0.00 0.00 36.82 35.64 2bjh h ILE 196 CO 0.02 0.41 0.00 -0.81 -0.69 0.00 0.00 178.15 177.08 2bjh n PRO 197 N -4.19 0.24 -0.35 2.37 -0.04 -1.25 -0.68 135.00 131.10 2bjh n PRO 197 Ca 0.03 0.05 0.10 0.00 -0.04 0.00 0.00 63.50 63.64 2bjh n PRO 197 Cb 0.34 -1.50 0.28 0.00 -0.04 0.00 0.00 33.50 32.57 2bjh n PRO 197 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2bjh n ASN 198 N -1.07 3.76 -4.13 3.54 3.02 -0.82 -4.53 115.26 115.02 2bjh n ASN 198 Ca 0.06 -2.08 -0.24 0.00 -0.03 0.00 0.00 54.58 52.30 2bjh n ASN 198 Cb 0.04 -0.43 -0.15 0.00 -0.61 0.00 0.00 39.78 38.63 2bjh n ASN 198 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2bjh s LEU 199 N -1.15 2.02 0.89 3.41 2.01 0.14 -4.12 118.68 121.88 2bjh s LEU 199 Ca 0.42 -0.28 -0.13 0.00 0.01 0.00 0.00 54.13 54.14 2bjh s LEU 199 Cb 0.23 -0.81 0.16 0.00 0.01 0.00 0.00 46.19 45.77 2bjh s LEU 199 CO 0.27 0.19 1.24 -2.16 1.01 0.00 0.00 176.35 176.90 2bjh s PRO 200 N -0.34 1.13 0.27 1.29 0.04 -1.26 0.67 135.00 136.80 2bjh s PRO 200 Ca 0.05 -0.34 -0.31 0.00 0.04 0.00 0.00 61.00 60.45 2bjh s PRO 200 Cb -0.06 -1.93 -0.12 0.00 0.04 0.00 0.00 34.50 32.42 2bjh s PRO 200 CO -0.00 -2.07 1.58 -0.35 0.04 0.00 0.00 177.00 176.19 2bjh n PRO 201 N -3.53 2.57 0.17 0.56 -0.04 -1.26 -4.73 135.00 128.75 2bjh n PRO 201 Ca 0.13 0.92 0.11 0.00 -0.04 0.00 0.00 63.50 64.62 2bjh n PRO 201 Cb 0.60 -2.68 0.64 0.00 -0.04 0.00 0.00 33.50 32.02 2bjh n PRO 201 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2bjh h ALA 202 N 4.95 2.13 -0.59 0.55 0.00 -1.87 0.23 119.26 124.65 2bjh h ALA 202 Ca -0.46 -0.01 0.08 0.00 0.00 0.00 0.00 54.91 54.52 2bjh h ALA 202 Cb 1.23 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.99 2bjh h ALA 202 CO 0.81 -0.17 0.39 -0.44 0.00 0.00 0.00 179.25 179.84 2bjh h ASP 203 N 0.03 0.43 0.00 0.00 5.19 -1.89 -0.14 116.42 120.03 2bjh h ASP 203 Ca 0.08 0.01 0.00 0.00 -0.62 0.00 0.00 57.03 56.50 2bjh h ASP 203 Cb 0.29 -0.09 0.00 0.00 0.18 0.00 0.00 39.33 39.71 2bjh h ASP 203 CO -0.00 0.27 0.00 1.21 -3.12 0.00 0.00 179.24 177.60 2bjh n GLU 204 N -4.47 0.84 -0.00 3.56 2.13 0.07 -4.82 120.64 117.94 2bjh n GLU 204 Ca 0.09 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.91 2bjh n GLU 204 Cb 0.30 -1.16 0.00 0.00 0.27 0.00 0.00 31.44 30.85 2bjh n GLU 204 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2bjh n GLY 205 N 0.45 0.55 3.89 8.31 0.00 -0.07 -4.99 105.19 113.33 2bjh n GLY 205 Ca 0.07 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.79 2bjh n GLY 205 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2bjh s TYR 206 N -2.01 3.49 0.13 1.61 1.51 -1.18 -3.99 117.35 116.91 2bjh s TYR 206 Ca 0.00 0.94 -0.20 0.00 -1.01 0.00 0.00 57.07 56.79 2bjh s TYR 206 Cb 0.00 -2.36 0.05 0.00 -0.11 0.00 0.00 41.96 39.54 2bjh s TYR 206 CO 0.00 -0.11 0.52 0.00 -1.11 0.00 0.00 175.55 174.85 2bjh s ALA 207 N -2.42 -1.32 -0.02 3.71 0.00 0.09 -4.27 121.76 117.53 2bjh s ALA 207 Ca 0.49 0.31 -0.04 0.00 0.00 0.00 0.00 51.96 52.73 2bjh s ALA 207 Cb -0.10 0.74 -0.04 0.00 0.00 0.00 0.00 23.12 23.71 2bjh s ALA 207 CO 0.34 -0.68 0.19 -1.01 0.00 0.00 0.00 175.76 174.60 2bjh s HIS 208 N -3.57 3.56 0.23 0.00 3.76 -1.26 -4.19 115.29 113.82 2bjh s HIS 208 Ca 0.01 0.42 0.01 0.00 -0.15 0.00 0.00 55.06 55.35 2bjh s HIS 208 Cb 0.00 -1.88 0.01 0.00 1.11 0.00 0.00 32.58 31.83 2bjh s HIS 208 CO -0.11 0.65 0.11 0.41 -0.85 0.00 0.00 174.74 174.95 2bjh n GLY 209 N 1.12 3.30 1.12 -2.22 0.00 -1.26 -4.88 105.19 102.37 2bjh n GLY 209 Ca -0.12 -2.25 0.14 0.00 0.00 0.00 0.00 46.02 43.79 2bjh n GLY 209 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bjh n GLY 210 N 2.28 -2.78 3.73 -0.02 0.00 -1.26 -4.79 105.19 102.35 2bjh n GLY 210 Ca -0.04 -1.17 -0.38 0.00 0.00 0.00 0.00 46.02 44.44 2bjh n GLY 210 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2bjh s VAL 211 N -3.38 5.19 0.19 1.61 -7.23 -1.18 -4.89 120.40 110.72 2bjh s VAL 211 Ca 0.00 0.89 -0.30 0.00 -1.81 0.00 0.00 61.98 60.76 2bjh s VAL 211 Cb 0.00 -3.79 -0.08 0.00 0.56 0.00 0.00 36.38 33.08 2bjh s VAL 211 CO 0.00 0.35 1.01 -0.70 -0.31 0.00 0.00 175.10 175.45 2bjh s GLU 212 N 0.48 4.71 -0.34 4.82 2.12 -0.38 -2.28 118.70 127.83 2bjh s GLU 212 Ca 0.25 1.58 0.03 0.00 0.36 0.00 0.00 54.97 57.18 2bjh s GLU 212 Cb -0.15 -3.30 0.10 0.00 0.26 0.00 0.00 34.13 31.04 2bjh s GLU 212 CO 0.10 0.27 0.06 0.71 -0.54 0.00 0.00 175.26 175.85 2bjh s TYR 213 N -0.54 3.45 -0.47 5.30 1.51 0.48 -0.41 117.35 126.67 2bjh s TYR 213 Ca 0.46 -2.82 -0.20 0.00 -1.01 0.00 0.00 57.07 53.49 2bjh s TYR 213 Cb -0.27 -2.75 0.04 0.00 -0.11 0.00 0.00 41.96 38.87 2bjh s TYR 213 CO 0.33 -0.94 0.66 -0.46 -1.11 0.00 0.00 175.55 174.03 2bjh s TRP 214 N 1.00 3.04 -0.22 2.71 -0.00 -0.73 0.51 118.94 125.24 2bjh s TRP 214 Ca 0.11 -0.23 -0.23 0.00 -0.00 0.00 0.00 56.10 55.75 2bjh s TRP 214 Cb -0.19 -3.46 -0.01 0.00 -0.00 0.00 0.00 33.47 29.81 2bjh s TRP 214 CO -0.11 -0.96 0.75 0.45 -0.00 0.00 0.00 176.95 177.08 2bjh s SER 215 N 2.30 6.78 0.03 5.86 0.15 0.25 -1.47 113.70 127.61 2bjh s SER 215 Ca 0.20 0.96 0.04 0.00 0.70 0.00 0.00 55.95 57.85 2bjh s SER 215 Cb -0.16 -2.40 -0.04 0.00 -1.71 0.00 0.00 66.02 61.71 2bjh s SER 215 CO 0.16 -0.41 -0.04 -0.69 1.20 0.00 0.00 173.24 173.46 2bjh s VAL 216 N 2.44 3.82 0.12 4.45 1.01 -0.56 -0.73 120.40 130.95 2bjh s VAL 216 Ca 0.33 -0.83 -0.26 0.00 0.00 0.00 0.00 61.98 61.22 2bjh s VAL 216 Cb -0.16 -2.72 -0.07 0.00 0.00 0.00 0.00 36.38 33.44 2bjh s VAL 216 CO 0.09 0.30 0.82 -1.81 0.00 0.00 0.00 175.10 174.50 2bjh s ASP 217 N -1.72 7.37 0.03 3.32 -0.00 -1.26 -2.18 116.67 122.24 2bjh s ASP 217 Ca 0.20 1.63 -0.30 0.00 -0.00 0.00 0.00 52.55 54.08 2bjh s ASP 217 Cb -0.11 -2.51 -0.04 0.00 -0.00 0.00 0.00 42.92 40.25 2bjh s ASP 217 CO 0.11 0.09 1.05 -2.84 -0.00 0.00 0.00 175.17 173.59 2bjh s PRO 218 N -0.59 4.53 0.49 8.23 0.02 -1.26 -5.12 135.00 141.30 2bjh s PRO 218 Ca 0.39 1.55 -0.24 0.00 0.02 0.00 0.00 61.00 62.72 2bjh s PRO 218 Cb -0.23 -3.41 -0.07 0.00 0.02 0.00 0.00 34.50 30.82 2bjh s PRO 218 CO 0.26 -0.10 1.39 2.48 -0.33 0.00 0.00 177.00 180.70 2bjh n TYR 219 N 3.78 2.47 0.00 6.54 0.18 -0.93 -4.71 117.16 124.49 2bjh n TYR 219 Ca 0.07 0.44 0.00 0.00 1.88 0.00 0.00 57.90 60.28 2bjh n TYR 219 Cb 0.49 -2.41 0.00 0.00 -0.38 0.00 0.00 39.34 37.04 2bjh n TYR 219 CO 0.00 0.00 0.00 -1.13 -2.08 0.00 0.00 176.86 173.65 2bjh n SER 220 N -0.53 0.00 -0.33 9.48 3.41 -1.26 -4.94 113.62 119.45 2bjh n SER 220 Ca 0.08 0.00 -0.00 0.00 -0.26 0.00 0.00 58.87 58.68 2bjh n SER 220 Cb 0.43 0.00 0.13 0.00 -0.26 0.00 0.00 64.21 64.51 2bjh n SER 220 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2bjh h ALA 221 N 0.00 1.20 0.00 7.33 0.00 -1.90 -1.82 119.26 124.07 2bjh h ALA 221 Ca 0.00 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 2bjh h ALA 221 Cb 0.00 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 2bjh h ALA 221 CO 0.00 0.40 -0.23 1.96 0.00 0.00 0.00 179.25 181.38 2bjh h GLN 222 N 1.10 0.00 -1.36 0.00 7.50 -1.94 -2.00 115.11 118.41 2bjh h GLN 222 Ca 0.37 0.00 -0.71 0.00 0.50 0.00 0.00 58.65 58.81 2bjh h GLN 222 Cb 0.06 0.00 -0.29 0.00 0.05 0.00 0.00 27.48 27.30 2bjh h GLN 222 CO -0.14 0.23 0.86 0.09 -1.50 0.00 0.00 178.83 178.38 2bjh n ASN 223 N -3.64 7.50 -3.76 1.46 3.02 -0.69 -3.57 115.26 115.59 2bjh n ASN 223 Ca -0.01 -3.80 -0.24 0.00 -0.03 0.00 0.00 54.58 50.49 2bjh n ASN 223 Cb 0.36 -0.98 -0.17 0.00 -0.61 0.00 0.00 39.78 38.38 2bjh n ASN 223 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 2bjh s THR 224 N -4.93 0.40 0.23 3.41 2.01 -1.11 -1.49 115.64 114.16 2bjh s THR 224 Ca 0.60 -0.05 -0.07 0.00 0.31 0.00 0.00 61.69 62.47 2bjh s THR 224 Cb 0.48 -0.66 -0.06 0.00 0.01 0.00 0.00 72.50 72.27 2bjh s THR 224 CO -0.16 0.13 0.51 -0.36 -0.69 0.00 0.00 174.62 174.06 2bjh s PHE 225 N 1.95 3.45 -0.38 4.92 0.40 -0.54 0.40 117.98 128.17 2bjh s PHE 225 Ca 0.04 0.74 -0.08 0.00 -0.60 0.00 0.00 56.93 57.02 2bjh s PHE 225 Cb -0.13 -2.16 0.06 0.00 0.51 0.00 0.00 43.02 41.29 2bjh s PHE 225 CO -0.06 0.28 0.20 0.08 0.70 0.00 0.00 175.22 176.42 2bjh s VAL 226 N -1.85 4.11 -0.28 -0.44 1.01 0.59 -1.78 120.40 121.76 2bjh s VAL 226 Ca 0.45 -1.24 -0.10 0.00 0.00 0.00 0.00 61.98 61.09 2bjh s VAL 226 Cb -0.11 -3.42 -0.04 0.00 0.00 0.00 0.00 36.38 32.81 2bjh s VAL 226 CO 0.24 -0.36 0.15 0.00 0.00 0.00 0.00 175.10 175.13 2bjh s THR 228 N 1.69 1.28 0.00 0.00 -4.23 -0.56 -1.25 115.64 112.57 2bjh s THR 228 Ca 0.07 -1.60 0.00 0.00 -1.18 0.00 0.00 61.69 58.97 2bjh s THR 228 Cb -0.16 -1.41 0.00 0.00 1.34 0.00 0.00 72.50 72.27 2bjh s THR 228 CO 0.08 -0.35 0.00 0.61 -0.54 0.00 0.00 174.62 174.42 2bjh n GLY 229 N 0.75 -1.67 2.35 3.99 0.00 -1.26 -4.44 105.19 104.91 2bjh n GLY 229 Ca -0.17 -2.05 -0.22 0.00 0.00 0.00 0.00 46.02 43.58 2bjh n GLY 229 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2bjh n ASP 230 N 0.00 4.24 -4.19 1.61 8.00 -1.26 -5.04 116.55 119.91 2bjh n ASP 230 Ca 0.00 -3.50 -0.32 0.00 0.71 0.00 0.00 54.79 51.68 2bjh n ASP 230 Cb 0.00 -0.42 -0.17 0.00 -0.02 0.00 0.00 41.12 40.51 2bjh n ASP 230 CO 0.00 0.00 0.00 -1.83 -0.39 0.00 0.00 177.20 174.98 2bjh s GLU 231 N -3.55 2.95 -0.38 -1.24 -1.05 -1.26 -5.05 118.70 109.12 2bjh s GLU 231 Ca 0.46 -0.84 -0.39 0.00 -0.15 0.00 0.00 54.97 54.04 2bjh s GLU 231 Cb 0.40 -2.27 -0.15 0.00 -0.44 0.00 0.00 34.13 31.68 2bjh s GLU 231 CO -0.07 0.12 2.07 0.28 0.95 0.00 0.00 175.26 178.61 2bjh n VAL 232 N 3.67 0.15 -3.41 1.83 0.31 -1.26 -4.83 118.33 114.79 2bjh n VAL 232 Ca -0.19 -0.13 -0.03 0.00 -0.01 0.00 0.00 64.34 63.97 2bjh n VAL 232 Cb 0.53 -1.19 0.00 0.00 -0.91 0.00 0.00 33.84 32.26 2bjh n VAL 232 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2bjh n GLN 233 N 7.30 0.24 0.00 5.55 10.64 -1.26 -4.84 117.38 135.02 2bjh n GLN 233 Ca 0.42 -0.63 0.00 0.00 -1.83 0.00 0.00 57.00 54.96 2bjh n GLN 233 Cb 0.12 0.70 0.00 0.00 -0.86 0.00 0.00 30.24 30.20 2bjh n GLN 233 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 2bjh h GLU 236 N 0.43 0.00 -0.32 0.00 4.81 -1.75 -1.82 114.58 115.94 2bjh h GLU 236 Ca 0.23 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.46 2bjh h GLU 236 Cb 0.19 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.57 2bjh h GLU 236 CO -0.19 0.00 0.00 0.00 -0.73 0.00 0.00 179.01 178.09 2bjh n ALA 237 N -1.87 2.33 1.08 2.92 0.00 -0.38 -4.43 120.51 120.16 2bjh n ALA 237 Ca -0.02 -0.99 0.13 0.00 0.00 0.00 0.00 53.44 52.56 2bjh n ALA 237 Cb 0.15 -0.59 0.34 0.00 0.00 0.00 0.00 19.45 19.35 2bjh n ALA 237 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2bjh n GLN 238 N 0.93 0.23 -1.05 0.00 1.13 -0.68 -4.95 117.38 112.99 2bjh n GLN 238 Ca 0.14 -0.12 -0.02 0.00 -1.94 0.00 0.00 57.00 55.06 2bjh n GLN 238 Cb 0.46 -1.50 -0.01 0.00 0.11 0.00 0.00 30.24 29.31 2bjh n GLN 238 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2bjh n GLY 239 N 1.45 0.52 3.64 1.08 0.00 -1.26 -4.96 105.19 105.67 2bjh n GLY 239 Ca 0.08 -0.60 -0.37 0.00 0.00 0.00 0.00 46.02 45.13 2bjh n GLY 239 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bjh n GLY 240 N -2.62 -0.16 2.92 -0.02 0.00 -1.24 -5.01 105.19 99.06 2bjh n GLY 240 Ca -0.02 -0.23 -0.17 0.00 0.00 0.00 0.00 46.02 45.61 2bjh n GLY 240 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2bjh s GLN 241 N -3.16 0.47 0.55 1.61 -2.07 -1.26 -4.50 119.66 111.30 2bjh s GLN 241 Ca 0.77 -0.12 0.00 0.00 -1.82 0.00 0.00 55.36 54.19 2bjh s GLN 241 Cb -0.38 -0.49 0.00 0.00 -1.09 0.00 0.00 33.01 31.05 2bjh s GLN 241 CO 0.46 0.03 0.00 0.41 -1.32 0.00 0.00 175.29 174.87 2bjh n GLY 242 N 3.37 0.61 3.58 2.60 0.00 -1.26 -4.28 105.19 109.82 2bjh n GLY 242 Ca -0.18 -0.85 -0.43 0.00 0.00 0.00 0.00 46.02 44.56 2bjh n GLY 242 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2bjh s VAL 243 N 0.00 4.23 0.26 1.61 1.01 -1.26 -3.14 120.40 123.11 2bjh s VAL 243 Ca 0.00 1.00 0.01 0.00 0.00 0.00 0.00 61.98 62.99 2bjh s VAL 243 Cb 0.00 -4.60 -0.01 0.00 0.00 0.00 0.00 36.38 31.78 2bjh s VAL 243 CO 0.00 -1.06 0.05 -0.46 0.00 0.00 0.00 175.10 173.63 2bjh n ASN 244 N 7.82 1.83 -0.18 3.32 2.04 -1.26 -5.02 115.26 123.80 2bjh n ASN 244 Ca 0.09 -2.27 -0.01 0.00 -0.44 0.00 0.00 54.58 51.96 2bjh n ASN 244 Cb 0.49 0.43 0.08 0.00 -2.53 0.00 0.00 39.78 38.25 2bjh n ASN 244 CO 0.00 0.00 0.00 0.44 -0.44 0.00 0.00 177.26 177.26 2bjh h ASP 245 N 0.84 -0.21 -0.51 0.53 3.45 -1.96 -2.20 116.42 116.36 2bjh h ASP 245 Ca -0.21 0.13 0.07 0.00 0.43 0.00 0.00 57.03 57.46 2bjh h ASP 245 Cb 0.72 0.23 -0.06 0.00 -0.56 0.00 0.00 39.33 39.66 2bjh h ASP 245 CO 0.34 -0.08 0.18 0.00 -1.57 0.00 0.00 179.24 178.11 2bjh h ALA 246 N 1.50 0.63 -0.77 3.45 0.00 -1.89 -2.85 119.26 119.33 2bjh h ALA 246 Ca 0.29 0.07 0.04 0.00 0.00 0.00 0.00 54.91 55.31 2bjh h ALA 246 Cb 0.45 0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.24 2bjh h ALA 246 CO -0.46 -0.22 0.47 1.25 0.00 0.00 0.00 179.25 180.30 2bjh h HIS 247 N 0.35 0.88 0.00 0.00 -0.00 -1.69 -2.97 115.15 111.73 2bjh h HIS 247 Ca 0.25 0.03 0.00 0.00 -0.00 0.00 0.00 60.37 60.64 2bjh h HIS 247 Cb 0.28 -0.29 0.00 0.00 -0.00 0.00 0.00 27.41 27.40 2bjh h HIS 247 CO -0.17 0.48 0.00 0.25 -0.00 0.00 0.00 177.93 178.50 2bjh n THR 248 N -4.65 0.50 -3.90 6.26 -2.24 -1.09 -4.67 114.28 104.50 2bjh n THR 248 Ca 0.09 -0.09 -0.30 0.00 -2.27 0.00 0.00 64.05 61.48 2bjh n THR 248 Cb 0.12 -0.68 -0.15 0.00 -2.10 0.00 0.00 70.33 67.51 2bjh n THR 248 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 2bjh s THR 249 N -3.10 1.47 -0.16 4.28 2.01 -1.12 -2.13 115.64 116.89 2bjh s THR 249 Ca 0.10 -1.39 -0.03 0.00 0.31 0.00 0.00 61.69 60.69 2bjh s THR 249 Cb 0.13 -1.87 -0.02 0.00 0.01 0.00 0.00 72.50 70.76 2bjh s THR 249 CO 0.52 -0.29 -0.07 -0.31 -0.69 0.00 0.00 174.62 173.78 2bjh s TYR 250 N 1.39 2.94 -1.48 4.92 1.51 -0.53 -4.61 117.35 121.49 2bjh s TYR 250 Ca -0.00 -0.51 -0.06 0.00 -1.01 0.00 0.00 57.07 55.49 2bjh s TYR 250 Cb -0.18 -1.95 0.04 0.00 -0.11 0.00 0.00 41.96 39.77 2bjh s TYR 250 CO -0.10 -0.18 0.58 1.19 -1.11 0.00 0.00 175.55 175.93 2bjh n PHE 251 N 3.74 -1.75 -1.21 2.71 3.01 -1.26 -1.48 117.46 121.22 2bjh n PHE 251 Ca -0.18 0.78 -0.07 0.00 1.01 0.00 0.00 57.45 58.99 2bjh n PHE 251 Cb 0.52 -3.64 -0.03 0.00 -0.01 0.00 0.00 39.48 36.33 2bjh n PHE 251 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2bjh n GLY 252 N -1.80 0.89 3.00 1.37 0.00 -1.26 -5.00 105.19 102.39 2bjh n GLY 252 Ca -0.19 -0.35 -0.27 0.00 0.00 0.00 0.00 46.02 45.21 2bjh n GLY 252 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2bjh s MET 253 N -2.29 1.86 0.20 1.61 -1.94 -0.55 -4.91 119.30 113.27 2bjh s MET 253 Ca 0.00 -0.43 -0.03 0.00 -1.71 0.00 0.00 55.69 53.53 2bjh s MET 253 Cb 0.00 -1.66 -0.05 0.00 2.01 0.00 0.00 34.83 35.13 2bjh s MET 253 CO 0.00 -0.10 0.42 0.99 -0.01 0.00 0.00 175.02 176.31 2bjh s THR 254 N 1.12 5.16 0.13 2.05 2.01 -1.26 -1.45 115.64 123.40 2bjh s THR 254 Ca -0.05 -0.16 -0.25 0.00 0.31 0.00 0.00 61.69 61.54 2bjh s THR 254 Cb -0.14 -3.70 -0.04 0.00 0.01 0.00 0.00 72.50 68.63 2bjh s THR 254 CO -0.02 -0.13 1.64 0.28 -0.69 0.00 0.00 174.62 175.69 2bjh h SER 255 N 2.21 -0.73 0.00 3.53 0.02 -1.69 -3.39 113.55 113.50 2bjh h SER 255 Ca -0.47 0.10 0.00 0.00 -0.84 0.00 0.00 61.79 60.58 2bjh h SER 255 Cb 1.18 0.31 0.00 0.00 0.14 0.00 0.00 62.40 64.03 2bjh h SER 255 CO 0.69 -0.31 0.00 0.61 -1.14 0.00 0.00 176.83 176.69 2bjh n GLY 256 N -1.36 -1.62 3.13 -3.77 0.00 -1.26 -4.64 105.19 95.66 2bjh n GLY 256 Ca -0.04 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.69 2bjh n GLY 256 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bjh n ALA 257 N -3.00 -3.26 -3.40 4.61 0.00 -1.26 -4.73 120.51 109.47 2bjh n ALA 257 Ca 0.00 -1.21 -0.27 0.00 0.00 0.00 0.00 53.44 51.96 2bjh n ALA 257 Cb 0.00 -1.14 -0.08 0.00 0.00 0.00 0.00 19.45 18.23 2bjh n ALA 257 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2bjh h THR 259 N 3.10 0.56 0.00 0.00 1.35 -1.92 -3.48 112.91 112.52 2bjh h THR 259 Ca 0.19 -0.18 0.00 0.00 -0.55 0.00 0.00 66.41 65.87 2bjh h THR 259 Cb 0.67 -0.03 0.00 0.00 -1.73 0.00 0.00 68.15 67.06 2bjh h THR 259 CO 0.82 0.10 0.00 -2.67 -0.25 0.00 0.00 175.52 173.52