#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 -0.64 -0.04 0.00 0.15 -1.26 -0.91 113.70 111.01 2bjh s SER 2 Ca 0.00 1.11 0.05 0.00 0.70 0.00 0.00 55.95 57.80 2bjh s SER 2 Cb 0.00 1.75 -0.01 0.00 -1.71 0.00 0.00 66.02 66.05 2bjh s SER 2 CO 0.00 -0.24 -0.18 0.28 1.20 0.00 0.00 173.24 174.30 2bjh s THR 3 N 2.73 1.49 -0.17 6.45 -1.32 0.05 -4.96 115.64 119.91 2bjh s THR 3 Ca 0.01 -0.77 -0.13 0.00 -1.21 0.00 0.00 61.69 59.60 2bjh s THR 3 Cb -0.13 -1.26 -0.05 0.00 -1.51 0.00 0.00 72.50 69.55 2bjh s THR 3 CO -0.16 0.43 0.24 -1.58 -2.21 0.00 0.00 174.62 171.34 2bjh s GLN 4 N -0.12 4.21 0.00 7.08 0.74 -1.26 0.85 119.66 131.15 2bjh s GLN 4 Ca -0.00 0.01 0.00 0.00 0.05 0.00 0.00 55.36 55.41 2bjh s GLN 4 Cb -0.10 -3.41 0.00 0.00 1.10 0.00 0.00 33.01 30.59 2bjh s GLN 4 CO 0.01 0.28 0.00 0.41 -0.55 0.00 0.00 175.29 175.44 2bjh n GLY 5 N 3.35 1.67 3.33 2.59 0.00 0.32 -4.96 105.19 111.49 2bjh n GLY 5 Ca -0.13 -1.43 -0.17 0.00 0.00 0.00 0.00 46.02 44.28 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 -0.35 1.12 0.90 -0.61 -4.36 -0.75 -4.82 121.20 112.33 2bjh s ILE 6 Ca 0.00 -2.05 -0.11 0.00 -0.26 0.00 0.00 60.65 58.23 2bjh s ILE 6 Cb 0.00 -2.29 0.12 0.00 1.25 0.00 0.00 42.46 41.53 2bjh s ILE 6 CO 0.00 -0.37 1.05 -1.54 0.24 0.00 0.00 174.94 174.32 2bjh n SER 7 N -0.41 0.13 0.27 4.36 3.41 -1.26 -4.52 113.62 115.60 2bjh n SER 7 Ca -0.06 0.44 0.15 0.00 -0.26 0.00 0.00 58.87 59.14 2bjh n SER 7 Cb 0.63 -1.45 0.71 0.00 -0.26 0.00 0.00 64.21 63.85 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 -1.64 0.00 0.36 4.33 4.57 -1.99 -2.49 114.58 117.72 2bjh h GLU 8 Ca -0.44 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 57.72 2bjh h GLU 8 Cb 1.28 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.87 2bjh h GLU 8 CO 0.41 0.09 -0.17 -0.44 -1.18 0.00 0.00 179.01 177.72 2bjh h ASP 9 N 0.00 -0.41 -0.62 1.04 5.19 -1.99 -2.04 116.42 117.59 2bjh h ASP 9 Ca -0.00 -0.09 0.00 0.00 -0.62 0.00 0.00 57.03 56.32 2bjh h ASP 9 Cb 0.45 0.11 -0.03 0.00 0.18 0.00 0.00 39.33 40.03 2bjh h ASP 9 CO 0.01 0.05 0.40 0.25 -3.12 0.00 0.00 179.24 176.83 2bjh h LEU 10 N -1.05 0.72 0.13 1.55 5.85 -1.91 -1.28 115.31 119.32 2bjh h LEU 10 Ca -0.05 -0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.64 2bjh h LEU 10 Cb 0.47 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 41.33 2bjh h LEU 10 CO 0.08 0.53 -0.06 0.22 -0.34 0.00 0.00 178.44 178.87 2bjh h TYR 11 N 0.84 -0.16 -0.65 1.25 3.20 -1.51 0.86 116.97 120.80 2bjh h TYR 11 Ca 0.23 -0.00 0.08 0.00 3.14 0.00 0.00 58.73 62.17 2bjh h TYR 11 Cb -0.08 0.05 -0.06 0.00 1.54 0.00 0.00 36.73 38.17 2bjh h TYR 11 CO 0.00 -0.07 0.31 -0.91 -1.64 0.00 0.00 178.16 175.85 2bjh h ASN 12 N -0.20 0.40 -0.51 -2.11 -0.26 -0.70 0.46 115.58 112.65 2bjh h ASN 12 Ca -0.02 0.06 -0.06 0.00 -0.56 0.00 0.00 56.30 55.72 2bjh h ASN 12 Cb 0.16 -0.01 -0.03 0.00 -1.06 0.00 0.00 38.32 37.38 2bjh h ASN 12 CO 0.03 0.24 0.12 -0.09 -1.06 0.00 0.00 177.43 176.67 2bjh h ARG 13 N 0.55 0.88 -0.14 0.81 2.43 -0.90 0.04 114.38 118.06 2bjh h ARG 13 Ca 0.31 -0.19 -0.11 0.00 -0.81 0.00 0.00 59.98 59.18 2bjh h ARG 13 Cb 0.31 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.72 2bjh h ARG 13 CO -0.25 0.80 -0.38 -0.07 -1.51 0.00 0.00 179.97 178.56 2bjh h LEU 14 N 0.84 0.31 -0.46 3.80 3.38 0.29 -1.53 115.31 121.94 2bjh h LEU 14 Ca 0.18 -0.13 -0.17 0.00 0.09 0.00 0.00 57.88 57.86 2bjh h LEU 14 Cb 0.33 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 40.99 2bjh h LEU 14 CO 0.00 0.67 -0.57 0.58 0.09 0.00 0.00 178.44 179.21 2bjh h VAL 15 N 0.25 1.32 0.03 1.22 2.07 -0.33 -1.79 116.25 119.01 2bjh h VAL 15 Ca 0.03 -1.82 -0.00 0.00 0.82 0.00 0.00 66.70 65.73 2bjh h VAL 15 Cb 0.80 1.78 0.00 0.00 -1.52 0.00 0.00 31.29 32.35 2bjh h VAL 15 CO 0.06 0.57 -0.01 -0.08 0.02 0.00 0.00 177.57 178.13 2bjh h GLU 16 N 0.46 -0.04 0.00 1.57 4.81 -0.64 -0.20 114.58 120.54 2bjh h GLU 16 Ca 0.00 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.20 2bjh h GLU 16 Cb 1.13 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.51 2bjh h GLU 16 CO 0.11 0.16 -0.19 0.52 -0.73 0.00 0.00 179.01 178.88 2bjh h MET 17 N -0.23 0.00 -0.07 1.92 2.86 -1.27 -2.09 114.93 116.04 2bjh h MET 17 Ca -0.00 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.60 2bjh h MET 17 Cb 0.21 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.87 2bjh h MET 17 CO 0.01 0.19 -0.11 0.00 1.06 0.00 0.00 176.91 178.06 2bjh h ALA 18 N 1.81 0.11 -0.44 6.32 0.00 -0.97 -0.96 119.26 125.13 2bjh h ALA 18 Ca -0.00 -0.32 0.09 0.00 0.00 0.00 0.00 54.91 54.67 2bjh h ALA 18 Cb 0.34 -0.02 -0.08 0.00 0.00 0.00 0.00 17.79 18.03 2bjh h ALA 18 CO 0.02 -0.03 -0.06 1.15 0.00 0.00 0.00 179.25 180.33 2bjh h THR 19 N -0.27 0.60 0.17 0.00 2.02 -0.68 0.39 112.91 115.15 2bjh h THR 19 Ca 0.01 -0.02 -0.00 0.00 0.77 0.00 0.00 66.41 67.17 2bjh h THR 19 Cb 0.66 0.55 -0.00 0.00 -1.74 0.00 0.00 68.15 67.62 2bjh h THR 19 CO 0.02 0.01 -0.11 0.40 0.37 0.00 0.00 175.52 176.21 2bjh h ILE 20 N 0.05 0.76 -0.24 3.11 2.04 -1.37 0.15 117.51 122.01 2bjh h ILE 20 Ca 0.22 0.00 0.04 0.00 1.00 0.00 0.00 64.86 66.12 2bjh h ILE 20 Cb 0.33 0.76 -0.04 0.00 -0.74 0.00 0.00 36.82 37.12 2bjh h ILE 20 CO -0.41 0.00 -0.02 0.28 0.00 0.00 0.00 178.15 177.99 2bjh h SER 21 N -0.28 -0.14 0.94 1.72 0.02 -0.43 -1.06 113.55 114.31 2bjh h SER 21 Ca -0.01 0.06 0.00 0.00 -0.84 0.00 0.00 61.79 61.00 2bjh h SER 21 Cb 0.24 0.12 0.00 0.00 0.14 0.00 0.00 62.40 62.90 2bjh h SER 21 CO 0.01 -0.04 0.00 1.56 -1.14 0.00 0.00 176.83 177.22 2bjh h GLN 22 N 0.05 0.00 0.00 3.45 1.08 -0.06 -2.42 115.11 117.22 2bjh h GLN 22 Ca 0.12 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.32 2bjh h GLN 22 Cb 0.16 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.59 2bjh h GLN 22 CO -0.22 0.00 -0.23 0.00 -0.95 0.00 0.00 178.83 177.44 2bjh n ALA 23 N -1.97 2.52 0.30 3.87 0.00 0.52 -3.38 120.51 122.37 2bjh n ALA 23 Ca 0.01 -0.11 0.19 0.00 0.00 0.00 0.00 53.44 53.53 2bjh n ALA 23 Cb 0.28 -1.36 0.85 0.00 0.00 0.00 0.00 19.45 19.22 2bjh n ALA 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2bjh h ALA 24 N 2.52 1.00 0.00 0.00 0.00 -0.87 0.13 119.26 122.05 2bjh h ALA 24 Ca 0.00 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 2bjh h ALA 24 Cb 0.74 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.52 2bjh h ALA 24 CO 0.00 0.01 -0.14 1.88 0.00 0.00 0.00 179.25 180.99 2bjh h TYR 25 N 0.00 0.00 0.00 0.00 -1.99 -1.72 -3.42 116.97 109.84 2bjh h TYR 25 Ca -0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 2bjh h TYR 25 Cb 0.36 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.09 2bjh h TYR 25 CO 0.00 0.14 0.00 0.00 -0.00 0.00 0.00 178.16 178.30 2bjh n ALA 26 N -2.15 0.00 -2.78 3.88 0.00 -0.59 -4.98 120.51 113.89 2bjh n ALA 26 Ca 0.02 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.44 2bjh n ALA 26 Cb 0.47 0.00 0.07 0.00 0.00 0.00 0.00 19.45 19.99 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 0.00 0.69 -2.40 0.00 4.64 -1.19 -4.93 116.55 113.36 2bjh n ASP 27 Ca 0.00 -2.12 -0.07 0.00 -1.38 0.00 0.00 54.79 51.23 2bjh n ASP 27 Cb 0.00 -0.14 0.03 0.00 -1.04 0.00 0.00 41.12 39.97 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 -0.83 -4.01 -4.63 -2.67 4.77 0.35 -4.95 117.00 105.04 2bjh n LEU 28 Ca 0.00 -0.32 -0.50 0.00 -0.03 0.00 0.00 56.01 55.16 2bjh n LEU 28 Cb 0.82 -1.97 -0.05 0.00 -2.33 0.00 0.00 43.42 39.89 2bjh n LEU 28 CO 0.02 -0.05 1.05 0.00 -1.33 0.00 0.00 177.39 177.08 2bjh n ASN 30 N 3.11 0.00 -4.68 0.00 3.02 -1.26 -4.84 115.26 110.61 2bjh n ASN 30 Ca 0.18 0.00 -0.26 0.00 -0.03 0.00 0.00 54.58 54.47 2bjh n ASN 30 Cb 0.23 0.00 0.11 0.00 -0.61 0.00 0.00 39.78 39.50 2bjh n ASN 30 CO 0.00 0.00 0.00 0.27 -2.62 0.00 0.00 177.26 174.91 2bjh s ILE 31 N -2.69 2.17 0.30 2.41 -4.36 -1.25 -4.98 121.20 112.80 2bjh s ILE 31 Ca 0.00 -0.27 -0.26 0.00 -0.26 0.00 0.00 60.65 59.86 2bjh s ILE 31 Cb 0.00 -2.90 -0.15 0.00 1.25 0.00 0.00 42.46 40.66 2bjh s ILE 31 CO 0.00 0.00 0.60 -2.65 0.24 0.00 0.00 174.94 173.13 2bjh n PRO 32 N -3.11 0.47 0.25 0.37 -0.02 -1.26 -4.86 135.00 126.84 2bjh n PRO 32 Ca 0.11 0.17 0.13 0.00 -2.02 0.00 0.00 63.50 61.89 2bjh n PRO 32 Cb 0.60 -1.33 0.63 0.00 -0.02 0.00 0.00 33.50 33.38 2bjh n PRO 32 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 2bjh h SER 33 N 1.12 0.00 1.80 2.55 4.64 -2.03 -2.87 113.55 118.75 2bjh h SER 33 Ca -0.35 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.97 2bjh h SER 33 Cb 1.41 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.50 2bjh h SER 33 CO 0.55 0.14 0.00 0.71 -0.87 0.00 0.00 176.83 177.36 2bjh h THR 34 N 0.00 0.00 -3.34 2.95 1.35 -1.97 -3.45 112.91 108.45 2bjh h THR 34 Ca -0.00 -0.85 -0.59 0.00 -0.55 0.00 0.00 66.41 64.43 2bjh h THR 34 Cb 0.54 1.84 -0.09 0.00 -1.73 0.00 0.00 68.15 68.70 2bjh h THR 34 CO 0.02 0.00 -0.22 -0.51 -0.25 0.00 0.00 175.52 174.56 2bjh s ILE 35 N -3.23 5.23 -0.09 6.82 -1.16 -1.09 -4.24 121.20 123.45 2bjh s ILE 35 Ca 0.07 0.76 -0.18 0.00 -0.51 0.00 0.00 60.65 60.79 2bjh s ILE 35 Cb 0.07 -3.73 -0.05 0.00 0.61 0.00 0.00 42.46 39.36 2bjh s ILE 35 CO 0.64 0.33 0.48 -0.63 -2.81 0.00 0.00 174.94 172.95 2bjh s ILE 36 N 0.71 5.14 -0.26 2.00 1.09 -0.27 -4.91 121.20 124.70 2bjh s ILE 36 Ca 0.21 0.96 -0.28 0.00 -1.10 0.00 0.00 60.65 60.45 2bjh s ILE 36 Cb -0.14 -3.81 0.01 0.00 -1.06 0.00 0.00 42.46 37.45 2bjh s ILE 36 CO 0.07 0.37 0.99 -0.75 -0.10 0.00 0.00 174.94 175.52 2bjh s LYS 37 N 0.31 4.16 0.00 2.79 2.20 -1.26 -2.49 119.74 125.45 2bjh s LYS 37 Ca 0.26 1.13 0.00 0.00 -0.36 0.00 0.00 55.97 57.00 2bjh s LYS 37 Cb -0.16 -3.68 0.00 0.00 -1.51 0.00 0.00 37.83 32.49 2bjh s LYS 37 CO 0.11 -0.69 0.00 0.41 -0.36 0.00 0.00 175.35 174.83 2bjh n GLY 38 N 3.64 2.81 3.77 5.54 0.00 -0.96 -5.03 105.19 114.95 2bjh n GLY 38 Ca 0.10 -1.28 -0.40 0.00 0.00 0.00 0.00 46.02 44.45 2bjh n GLY 38 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2bjh s GLU 39 N 4.76 3.84 -0.11 1.61 2.56 -1.24 -4.75 118.70 125.37 2bjh s GLU 39 Ca 0.00 2.25 -0.06 0.00 0.00 0.00 0.00 54.97 57.16 2bjh s GLU 39 Cb 0.00 -2.70 -0.04 0.00 2.00 0.00 0.00 34.13 33.39 2bjh s GLU 39 CO 0.00 -0.63 0.10 0.21 -0.56 0.00 0.00 175.26 174.38 2bjh s LYS 40 N -2.34 3.33 -0.22 4.30 2.20 -1.26 -1.21 119.74 124.53 2bjh s LYS 40 Ca 0.59 -0.20 -0.17 0.00 -0.36 0.00 0.00 55.97 55.83 2bjh s LYS 40 Cb -0.40 -3.09 -0.04 0.00 -1.51 0.00 0.00 37.83 32.79 2bjh s LYS 40 CO 0.51 0.76 0.44 0.42 -0.36 0.00 0.00 175.35 177.12 2bjh s ILE 41 N -0.98 5.15 -0.24 5.43 1.01 0.39 -4.92 121.20 127.02 2bjh s ILE 41 Ca 0.15 0.78 -0.22 0.00 0.00 0.00 0.00 60.65 61.35 2bjh s ILE 41 Cb -0.12 -3.77 0.06 0.00 0.01 0.00 0.00 42.46 38.65 2bjh s ILE 41 CO 0.04 0.19 0.65 -0.47 0.00 0.00 0.00 174.94 175.35 2bjh s TYR 42 N 1.65 -0.73 -0.25 3.97 5.04 -1.25 0.70 117.35 126.48 2bjh s TYR 42 Ca 0.20 1.76 -0.03 0.00 -2.44 0.00 0.00 57.07 56.56 2bjh s TYR 42 Cb -0.15 0.27 0.10 0.00 0.35 0.00 0.00 41.96 42.53 2bjh s TYR 42 CO 0.09 -0.35 0.19 1.21 -1.34 0.00 0.00 175.55 175.34 2bjh s ASN 43 N 0.43 2.26 0.39 4.32 3.84 -1.15 -5.00 114.94 120.03 2bjh s ASN 43 Ca -0.01 -0.74 0.15 0.00 0.21 0.00 0.00 52.86 52.47 2bjh s ASN 43 Cb -0.05 0.09 1.00 0.00 -0.55 0.00 0.00 41.25 41.75 2bjh s ASN 43 CO -0.01 -0.38 1.82 0.00 -2.79 0.00 0.00 177.10 175.75 2bjh h ALA 44 N 8.35 2.09 -0.23 1.71 0.00 -1.95 0.47 119.26 129.69 2bjh h ALA 44 Ca -0.17 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 2bjh h ALA 44 Cb 1.09 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 2bjh h ALA 44 CO 0.34 -0.41 0.01 1.96 0.00 0.00 0.00 179.25 181.15 2bjh h GLN 45 N 0.49 0.40 -0.00 0.00 1.08 -1.98 -3.14 115.11 111.96 2bjh h GLN 45 Ca 0.52 -0.12 0.00 0.00 -1.45 0.00 0.00 58.65 57.59 2bjh h GLN 45 Cb 1.16 -0.04 0.00 0.00 -0.05 0.00 0.00 27.48 28.55 2bjh h GLN 45 CO -0.24 0.57 -0.74 0.25 -0.95 0.00 0.00 178.83 177.73 2bjh n THR 46 N -4.67 0.00 -2.37 -0.54 -2.24 -1.08 -4.95 114.28 98.44 2bjh n THR 46 Ca -0.04 -0.00 -0.20 0.00 -2.27 0.00 0.00 64.05 61.54 2bjh n THR 46 Cb 0.23 0.60 -0.01 0.00 -2.10 0.00 0.00 70.33 69.05 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 -1.50 -5.71 -4.66 3.42 2.03 0.16 -4.31 116.55 105.98 2bjh n ASP 47 Ca 0.05 0.03 -0.43 0.00 0.52 0.00 0.00 54.79 54.95 2bjh n ASP 47 Cb 0.33 -4.77 -0.02 0.00 -0.72 0.00 0.00 41.12 35.94 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 -2.99 4.33 -0.09 5.18 -1.09 -1.20 -4.90 121.20 120.44 2bjh s ILE 48 Ca 0.00 1.60 0.01 0.00 -2.23 0.00 0.00 60.65 60.02 2bjh s ILE 48 Cb 0.00 -4.06 -0.03 0.00 -1.58 0.00 0.00 42.46 36.79 2bjh s ILE 48 CO 0.00 -0.18 -0.09 0.20 -1.23 0.00 0.00 174.94 173.65 2bjh s ASN 49 N 1.93 4.48 0.32 3.58 0.01 -1.26 -2.93 114.94 121.08 2bjh s ASN 49 Ca 0.53 -0.11 -0.18 0.00 -0.71 0.00 0.00 52.86 52.39 2bjh s ASN 49 Cb -0.20 -1.26 0.05 0.00 0.41 0.00 0.00 41.25 40.25 2bjh s ASN 49 CO 0.14 0.31 0.80 -0.83 -1.51 0.00 0.00 177.10 176.01 2bjh s GLY 50 N -0.47 0.18 0.02 0.66 0.00 0.22 -1.32 107.32 106.60 2bjh s GLY 50 Ca 0.07 -0.53 -0.10 0.00 0.00 0.00 0.00 44.72 44.15 2bjh s GLY 50 CO 0.02 0.03 0.22 -0.98 0.00 0.00 0.00 173.10 172.39 2bjh s TRP 51 N -2.81 -0.01 -0.19 1.90 0.51 -0.80 0.15 118.94 117.69 2bjh s TRP 51 Ca 0.15 -0.12 -0.04 0.00 -2.12 0.00 0.00 56.10 53.97 2bjh s TRP 51 Cb -0.05 0.00 -0.02 0.00 -0.81 0.00 0.00 33.47 32.60 2bjh s TRP 51 CO 0.09 -0.40 -0.04 0.42 -0.51 0.00 0.00 176.95 176.51 2bjh s ILE 52 N -2.10 3.60 0.41 2.03 1.09 -0.35 -1.26 121.20 124.61 2bjh s ILE 52 Ca -0.09 -0.44 0.07 0.00 -1.10 0.00 0.00 60.65 59.10 2bjh s ILE 52 Cb -0.03 -2.60 -0.06 0.00 -1.06 0.00 0.00 42.46 38.70 2bjh s ILE 52 CO -0.01 0.45 0.12 -0.76 -0.10 0.00 0.00 174.94 174.64 2bjh s LEU 53 N 0.94 3.04 -0.12 2.97 1.43 0.24 -2.26 118.68 124.92 2bjh s LEU 53 Ca -0.00 -1.15 -0.06 0.00 -1.03 0.00 0.00 54.13 51.89 2bjh s LEU 53 Cb -0.15 -1.28 0.05 0.00 0.03 0.00 0.00 46.19 44.84 2bjh s LEU 53 CO 0.01 -0.50 0.29 -0.60 0.23 0.00 0.00 176.35 175.78 2bjh s ARG 54 N -3.84 0.23 -0.41 1.70 3.52 -1.04 -1.43 118.95 117.69 2bjh s ARG 54 Ca 0.39 0.64 0.00 0.00 -0.13 0.00 0.00 55.73 56.63 2bjh s ARG 54 Cb 0.05 -0.07 0.11 0.00 -1.56 0.00 0.00 34.95 33.48 2bjh s ARG 54 CO 0.21 -0.19 0.17 0.34 -0.81 0.00 0.00 175.30 175.02 2bjh s ASP 55 N 1.56 5.01 0.52 -2.12 -1.08 0.72 -1.11 116.67 120.15 2bjh s ASP 55 Ca -0.07 -2.21 0.30 0.00 -0.52 0.00 0.00 52.55 50.05 2bjh s ASP 55 Cb -0.10 -1.74 1.28 0.00 -1.46 0.00 0.00 42.92 40.90 2bjh s ASP 55 CO -0.09 -0.45 1.96 0.44 0.52 0.00 0.00 175.17 177.55 2bjh h ASP 56 N 7.70 0.00 0.03 -0.34 3.32 -1.83 0.58 116.42 125.88 2bjh h ASP 56 Ca -0.08 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 56.91 2bjh h ASP 56 Cb 1.02 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.58 2bjh h ASP 56 CO 0.63 0.09 -0.23 0.74 -1.72 0.00 0.00 179.24 178.75 2bjh h THR 57 N 0.00 1.64 0.00 0.35 2.02 -1.93 -3.22 112.91 111.77 2bjh h THR 57 Ca -0.00 -2.20 0.00 0.00 0.77 0.00 0.00 66.41 64.98 2bjh h THR 57 Cb 0.54 3.10 0.00 0.00 -1.74 0.00 0.00 68.15 70.05 2bjh h THR 57 CO 0.01 0.59 0.00 -0.24 0.37 0.00 0.00 175.52 176.25 2bjh n SER 58 N -4.50 0.13 -3.32 4.18 2.88 -1.16 -4.95 113.62 106.88 2bjh n SER 58 Ca -0.11 0.51 -0.16 0.00 -1.33 0.00 0.00 58.87 57.78 2bjh n SER 58 Cb 0.54 -0.55 0.07 0.00 -0.75 0.00 0.00 64.21 63.53 2bjh n SER 58 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 2bjh n LYS 59 N -1.62 -3.40 -3.72 -1.46 4.01 0.19 -4.92 118.16 107.24 2bjh n LYS 59 Ca 0.07 0.85 -0.14 0.00 -0.51 0.00 0.00 58.31 58.57 2bjh n LYS 59 Cb 0.35 -5.77 -0.08 0.00 -0.51 0.00 0.00 35.03 29.01 2bjh n LYS 59 CO 0.00 0.00 0.00 -1.83 -1.11 0.00 0.00 177.40 174.46 2bjh s GLU 60 N -4.73 0.72 -0.27 1.97 -1.05 -0.27 -1.86 118.70 113.22 2bjh s GLU 60 Ca 0.33 -0.10 -0.07 0.00 -0.15 0.00 0.00 54.97 54.98 2bjh s GLU 60 Cb -0.05 0.33 -0.01 0.00 -0.44 0.00 0.00 34.13 33.96 2bjh s GLU 60 CO 0.74 -0.20 0.07 0.42 0.95 0.00 0.00 175.26 177.24 2bjh s ILE 61 N -1.27 4.16 -0.14 1.83 1.01 0.30 -0.20 121.20 126.89 2bjh s ILE 61 Ca -0.13 -0.38 -0.06 0.00 0.00 0.00 0.00 60.65 60.08 2bjh s ILE 61 Cb -0.04 -3.02 -0.04 0.00 0.01 0.00 0.00 42.46 39.37 2bjh s ILE 61 CO 0.05 0.24 0.06 -0.63 0.00 0.00 0.00 174.94 174.66 2bjh s ILE 62 N 1.57 4.81 -0.23 2.92 1.01 -0.51 -0.50 121.20 130.26 2bjh s ILE 62 Ca 0.05 -0.04 -0.00 0.00 0.00 0.00 0.00 60.65 60.65 2bjh s ILE 62 Cb -0.16 -3.11 0.03 0.00 0.01 0.00 0.00 42.46 39.23 2bjh s ILE 62 CO 0.03 0.54 -0.10 -0.89 0.00 0.00 0.00 174.94 174.52 2bjh s THR 63 N -0.30 2.61 0.06 2.92 2.01 0.19 0.80 115.64 123.94 2bjh s THR 63 Ca 0.08 -1.06 0.05 0.00 0.31 0.00 0.00 61.69 61.07 2bjh s THR 63 Cb -0.12 -2.30 -0.04 0.00 0.01 0.00 0.00 72.50 70.05 2bjh s THR 63 CO 0.02 0.26 -0.05 -0.69 -0.69 0.00 0.00 174.62 173.47 2bjh s VAL 64 N 1.29 3.75 -0.02 3.82 1.01 -0.39 -0.31 120.40 129.56 2bjh s VAL 64 Ca 0.00 -0.98 0.05 0.00 0.00 0.00 0.00 61.98 61.05 2bjh s VAL 64 Cb -0.16 -2.73 -0.01 0.00 0.00 0.00 0.00 36.38 33.48 2bjh s VAL 64 CO -0.06 0.21 -0.17 -0.36 0.00 0.00 0.00 175.10 174.72 2bjh s PHE 65 N -1.18 1.53 0.41 5.22 0.40 -0.64 -1.90 117.98 121.82 2bjh s PHE 65 Ca 0.22 -0.31 -0.14 0.00 -0.60 0.00 0.00 56.93 56.10 2bjh s PHE 65 Cb -0.11 -0.99 -0.08 0.00 0.51 0.00 0.00 43.02 42.34 2bjh s PHE 65 CO 0.14 -0.04 0.82 0.50 0.70 0.00 0.00 175.22 177.34 2bjh s ARG 66 N -0.34 3.91 0.09 0.44 3.52 -0.44 -3.89 118.95 122.25 2bjh s ARG 66 Ca 0.05 0.68 -0.01 0.00 -0.13 0.00 0.00 55.73 56.32 2bjh s ARG 66 Cb -0.07 -2.33 0.02 0.00 -1.56 0.00 0.00 34.95 31.01 2bjh s ARG 66 CO -0.00 -0.04 0.12 0.41 -0.81 0.00 0.00 175.30 174.98 2bjh n GLY 67 N -1.07 -0.39 3.68 8.12 0.00 -1.24 -2.55 105.19 111.74 2bjh n GLY 67 Ca 0.04 -1.79 -0.48 0.00 0.00 0.00 0.00 46.02 43.79 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 -1.93 0.44 -2.08 2.61 -1.04 -1.26 -4.73 114.28 106.30 2bjh n THR 68 Ca 0.02 -0.08 0.03 0.00 -2.04 0.00 0.00 64.05 61.98 2bjh n THR 68 Cb 0.06 -1.76 0.04 0.00 -1.82 0.00 0.00 70.33 66.85 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 4.17 1.47 3.90 3.41 0.00 -1.26 -5.04 105.19 111.84 2bjh n GLY 69 Ca 0.22 -0.54 -0.02 0.00 0.00 0.00 0.00 46.02 45.68 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 -1.74 -0.00 0.12 1.61 1.04 -1.26 -5.01 113.70 108.46 2bjh s SER 70 Ca 0.19 -0.55 -0.14 0.00 0.48 0.00 0.00 55.95 55.93 2bjh s SER 70 Cb 0.21 0.41 -0.05 0.00 0.10 0.00 0.00 66.02 66.69 2bjh s SER 70 CO -0.07 -0.81 1.49 -2.24 0.98 0.00 0.00 173.24 172.59 2bjh h ASP 71 N 2.00 0.78 -0.84 7.02 2.03 -1.99 -2.35 116.42 123.07 2bjh h ASP 71 Ca -0.26 -0.41 -0.00 0.00 -0.73 0.00 0.00 57.03 55.63 2bjh h ASP 71 Cb 1.21 -0.22 -0.04 0.00 -0.83 0.00 0.00 39.33 39.45 2bjh h ASP 71 CO 0.34 1.01 0.52 0.74 -1.03 0.00 0.00 179.24 180.83 2bjh h THR 72 N 0.54 1.23 -0.58 1.15 2.02 -1.94 -1.78 112.91 113.55 2bjh h THR 72 Ca 0.08 -0.47 -0.09 0.00 0.77 0.00 0.00 66.41 66.70 2bjh h THR 72 Cb 0.72 0.03 -0.02 0.00 -1.74 0.00 0.00 68.15 67.14 2bjh h THR 72 CO 0.05 0.23 0.03 0.78 0.37 0.00 0.00 175.52 176.98 2bjh h ASN 73 N 1.15 0.99 0.24 4.18 4.21 -1.73 -2.66 115.58 121.95 2bjh h ASN 73 Ca 0.30 -0.29 -0.03 0.00 1.21 0.00 0.00 56.30 57.49 2bjh h ASN 73 Cb -0.08 -0.26 -0.00 0.00 -1.12 0.00 0.00 38.32 36.85 2bjh h ASN 73 CO -0.06 1.04 -0.15 0.25 -1.29 0.00 0.00 177.43 177.21 2bjh h LEU 74 N 0.90 0.00 -0.38 1.61 5.85 -0.84 -1.21 115.31 121.25 2bjh h LEU 74 Ca 0.17 0.00 -0.11 0.00 0.84 0.00 0.00 57.88 58.78 2bjh h LEU 74 Cb 0.52 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.54 2bjh h LEU 74 CO 0.02 0.15 -0.20 1.56 -0.34 0.00 0.00 178.44 179.64 2bjh h GLN 75 N 0.00 0.82 -0.67 1.25 4.20 -1.00 -2.48 115.11 117.23 2bjh h GLN 75 Ca -0.00 -0.36 -0.03 0.00 0.06 0.00 0.00 58.65 58.31 2bjh h GLN 75 Cb 0.31 -0.02 -0.03 0.00 0.30 0.00 0.00 27.48 28.04 2bjh h GLN 75 CO 0.02 0.99 0.29 -0.07 -0.67 0.00 0.00 178.83 179.40 2bjh h LEU 76 N 0.62 0.87 -0.43 1.46 3.38 -1.05 -2.89 115.31 117.27 2bjh h LEU 76 Ca 0.08 -0.11 -0.03 0.00 0.09 0.00 0.00 57.88 57.92 2bjh h LEU 76 Cb 0.76 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.27 2bjh h LEU 76 CO 0.06 0.76 0.16 0.44 0.09 0.00 0.00 178.44 179.95 2bjh h ASP 77 N 0.95 0.60 0.00 -0.43 3.45 -1.08 -3.12 116.42 116.80 2bjh h ASP 77 Ca 0.23 -0.18 0.00 0.00 0.43 0.00 0.00 57.03 57.51 2bjh h ASP 77 Cb 0.14 -0.16 0.00 0.00 -0.56 0.00 0.00 39.33 38.75 2bjh h ASP 77 CO -0.03 0.62 0.00 0.35 -1.57 0.00 0.00 179.24 178.62 2bjh n THR 78 N -4.60 0.00 -3.39 0.35 -2.24 -0.95 -4.60 114.28 98.85 2bjh n THR 78 Ca 0.00 0.00 -0.44 0.00 -2.27 0.00 0.00 64.05 61.34 2bjh n THR 78 Cb 0.16 -0.62 -0.06 0.00 -2.10 0.00 0.00 70.33 67.71 2bjh n THR 78 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 2bjh s ASN 79 N -1.92 6.06 -0.02 3.42 3.84 -1.18 -4.89 114.94 120.25 2bjh s ASN 79 Ca 0.27 -1.71 0.11 0.00 0.21 0.00 0.00 52.86 51.75 2bjh s ASN 79 Cb 0.12 -2.15 0.36 0.00 -0.55 0.00 0.00 41.25 39.03 2bjh s ASN 79 CO 0.21 -0.77 1.27 -1.22 -2.79 0.00 0.00 177.10 173.80 2bjh n TYR 80 N 5.16 0.61 -1.70 0.43 0.53 -1.26 -2.14 117.16 118.78 2bjh n TYR 80 Ca -0.12 -0.28 -0.42 0.00 -1.02 0.00 0.00 57.90 56.06 2bjh n TYR 80 Cb 0.41 -0.05 -0.03 0.00 -1.03 0.00 0.00 39.34 38.64 2bjh n TYR 80 CO 0.00 0.00 0.00 0.99 -1.02 0.00 0.00 176.86 176.83 2bjh s THR 81 N -1.54 3.08 0.34 -0.72 2.01 -1.26 -4.63 115.64 112.92 2bjh s THR 81 Ca 0.26 0.10 -0.27 0.00 0.31 0.00 0.00 61.69 62.09 2bjh s THR 81 Cb 0.15 -3.07 -0.09 0.00 0.01 0.00 0.00 72.50 69.50 2bjh s THR 81 CO 0.16 -0.02 1.11 -0.76 -0.69 0.00 0.00 174.62 174.43 2bjh s LEU 82 N 5.07 4.35 -0.06 4.42 1.43 -1.26 -0.35 118.68 132.28 2bjh s LEU 82 Ca 0.89 2.25 -0.12 0.00 -1.03 0.00 0.00 54.13 56.12 2bjh s LEU 82 Cb -0.40 -3.87 0.02 0.00 0.03 0.00 0.00 46.19 41.98 2bjh s LEU 82 CO 0.39 -0.38 0.28 0.28 0.23 0.00 0.00 176.35 177.15 2bjh s THR 83 N -1.35 0.03 0.26 5.49 -1.32 -1.01 -4.88 115.64 112.87 2bjh s THR 83 Ca 0.51 -0.28 -0.31 0.00 -1.21 0.00 0.00 61.69 60.41 2bjh s THR 83 Cb -0.29 -0.50 -0.11 0.00 -1.51 0.00 0.00 72.50 70.08 2bjh s THR 83 CO 0.38 -0.15 1.61 -2.84 -2.21 0.00 0.00 174.62 171.41 2bjh s PRO 84 N -0.63 4.14 -1.32 7.08 0.02 -1.26 0.18 135.00 143.20 2bjh s PRO 84 Ca -0.07 2.56 -0.08 0.00 0.02 0.00 0.00 61.00 63.42 2bjh s PRO 84 Cb -0.04 -3.05 -0.07 0.00 0.02 0.00 0.00 34.50 31.36 2bjh s PRO 84 CO 0.02 -0.65 2.59 0.34 -0.33 0.00 0.00 177.00 178.98 2bjh n PHE 85 N 2.71 1.99 0.01 6.54 7.35 -0.87 -4.68 117.46 130.50 2bjh n PHE 85 Ca 0.10 -2.61 0.22 0.00 -0.76 0.00 0.00 57.45 54.40 2bjh n PHE 85 Cb 0.37 -2.15 0.65 0.00 0.35 0.00 0.00 39.48 38.70 2bjh n PHE 85 CO 0.00 0.00 0.00 -0.44 -0.76 0.00 0.00 176.76 175.56 2bjh h ASP 86 N 5.58 0.00 0.77 -2.13 5.19 -1.89 0.02 116.42 123.96 2bjh h ASP 86 Ca 0.71 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 57.12 2bjh h ASP 86 Cb 0.24 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.75 2bjh h ASP 86 CO 1.65 0.00 0.00 0.35 -3.12 0.00 0.00 179.24 178.12 2bjh n THR 87 N -3.50 0.82 -3.29 0.35 -2.24 -1.26 -3.82 114.28 101.33 2bjh n THR 87 Ca 0.12 0.20 -0.25 0.00 -2.27 0.00 0.00 64.05 61.85 2bjh n THR 87 Cb 0.89 -1.12 -0.08 0.00 -2.10 0.00 0.00 70.33 67.92 2bjh n THR 87 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 2bjh n LEU 88 N -2.22 0.50 -0.32 3.22 7.94 -0.01 -5.00 117.00 121.11 2bjh n LEU 88 Ca 0.02 -4.71 0.18 0.00 -1.11 0.00 0.00 56.01 50.39 2bjh n LEU 88 Cb 0.24 0.42 0.35 0.00 0.53 0.00 0.00 43.42 44.96 2bjh n LEU 88 CO 0.20 2.00 0.91 -0.65 -1.11 0.00 0.00 177.39 178.74 2bjh h PRO 89 N 4.49 0.08 0.00 1.96 0.11 -1.71 0.85 132.00 137.78 2bjh h PRO 89 Ca 0.14 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.24 2bjh h PRO 89 Cb 0.86 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.95 2bjh h PRO 89 CO 0.49 0.05 0.16 -0.56 -0.21 0.00 0.00 178.00 177.93 2bjh h GLN 90 N 0.08 0.00 -5.75 1.05 3.07 -1.94 -3.33 115.11 108.28 2bjh h GLN 90 Ca 0.64 0.00 -0.67 0.00 0.09 0.00 0.00 58.65 58.70 2bjh h GLN 90 Cb 1.40 0.00 -0.10 0.00 0.08 0.00 0.00 27.48 28.87 2bjh h GLN 90 CO -0.80 0.00 1.94 0.00 0.09 0.00 0.00 178.83 180.07 2bjh n ASN 92 N 8.12 1.62 -1.68 0.00 5.15 -1.25 -1.61 115.26 125.61 2bjh n ASN 92 Ca 0.44 0.53 -0.19 0.00 -0.60 0.00 0.00 54.58 54.76 2bjh n ASN 92 Cb 0.47 -1.12 -0.06 0.00 -0.53 0.00 0.00 39.78 38.53 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 8.82 -5.40 -4.79 1.20 8.00 -1.26 -4.84 116.55 118.27 2bjh n ASP 93 Ca 0.46 0.35 -0.35 0.00 0.71 0.00 0.00 54.79 55.96 2bjh n ASP 93 Cb 0.13 -4.57 -0.04 0.00 -0.02 0.00 0.00 41.12 36.62 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 -3.04 0.25 0.26 0.00 2.02 -1.26 -2.06 118.70 114.87 2bjh s GLU 95 Ca 0.65 0.21 0.06 0.00 0.02 0.00 0.00 54.97 55.91 2bjh s GLU 95 Cb -0.18 0.12 -0.06 0.00 0.10 0.00 0.00 34.13 34.11 2bjh s GLU 95 CO 0.22 -0.04 -0.06 0.14 0.02 0.00 0.00 175.26 175.55 2bjh s VAL 96 N -0.02 1.53 -0.21 2.63 -7.23 0.13 -0.68 120.40 116.54 2bjh s VAL 96 Ca -0.01 -2.11 -0.40 0.00 -1.81 0.00 0.00 61.98 57.65 2bjh s VAL 96 Cb -0.02 -2.39 -0.16 0.00 0.56 0.00 0.00 36.38 34.37 2bjh s VAL 96 CO 0.00 -0.34 1.65 1.57 -0.31 0.00 0.00 175.10 177.68 2bjh n HIS 97 N -0.53 1.92 -0.01 2.82 -0.00 0.36 -2.39 115.22 117.38 2bjh n HIS 97 Ca -0.06 0.58 -0.09 0.00 0.46 0.00 0.00 57.72 58.62 2bjh n HIS 97 Cb 0.63 -2.42 -0.03 0.00 -0.12 0.00 0.00 29.99 28.05 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 6.57 0.01 0.76 1.57 0.00 -0.74 0.50 103.07 111.73 2bjh h GLY 98 Ca -0.47 0.14 0.05 0.00 0.00 0.00 0.00 47.33 47.05 2bjh h GLY 98 CO 0.92 -0.12 0.35 -1.33 0.00 0.00 0.00 176.54 176.36 2bjh h GLY 99 N -0.12 0.89 2.00 4.60 0.00 -1.52 -1.16 103.07 107.77 2bjh h GLY 99 Ca 0.09 -0.25 -0.06 0.00 0.00 0.00 0.00 47.33 47.12 2bjh h GLY 99 CO -0.22 0.18 -0.26 -0.97 0.00 0.00 0.00 176.54 175.26 2bjh h TYR 100 N 0.67 0.00 0.00 5.60 0.99 -1.65 -2.28 116.97 120.30 2bjh h TYR 100 Ca 0.27 0.00 -0.10 0.00 2.00 0.00 0.00 58.73 60.90 2bjh h TYR 100 Cb 0.12 0.00 -0.01 0.00 1.00 0.00 0.00 36.73 37.83 2bjh h TYR 100 CO -0.07 0.26 -0.47 -0.92 -0.00 0.00 0.00 178.16 176.95 2bjh h TYR 101 N 0.00 0.00 -0.23 4.88 3.20 0.20 0.13 116.97 125.15 2bjh h TYR 101 Ca -0.00 0.00 -0.11 0.00 3.14 0.00 0.00 58.73 61.76 2bjh h TYR 101 Cb 0.92 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 39.19 2bjh h TYR 101 CO 0.00 0.47 -0.28 0.82 -1.64 0.00 0.00 178.16 177.54 2bjh h ILE 102 N 0.00 1.32 -0.37 1.81 1.08 -0.70 -1.67 117.51 118.98 2bjh h ILE 102 Ca -0.00 -1.46 -0.13 0.00 -0.39 0.00 0.00 64.86 62.87 2bjh h ILE 102 Cb 0.88 1.73 -0.01 0.00 -3.07 0.00 0.00 36.82 36.35 2bjh h ILE 102 CO 0.06 0.46 -0.31 1.23 -0.69 0.00 0.00 178.15 178.90 2bjh h GLY 103 N 0.29 0.88 0.70 5.37 0.00 -1.25 -2.39 103.07 106.68 2bjh h GLY 103 Ca 0.03 -0.83 -0.03 0.00 0.00 0.00 0.00 47.33 46.50 2bjh h GLY 103 CO 0.07 0.75 -0.34 -0.25 0.00 0.00 0.00 176.54 176.77 2bjh h TRP 104 N 0.69 -0.87 0.00 5.60 2.91 -0.70 -2.04 115.95 121.54 2bjh h TRP 104 Ca 0.08 -0.02 0.00 0.00 1.13 0.00 0.00 58.89 60.08 2bjh h TRP 104 Cb 0.85 0.29 0.00 0.00 -0.51 0.00 0.00 29.16 29.79 2bjh h TRP 104 CO 0.05 -0.54 0.00 0.44 -1.03 0.00 0.00 178.44 177.35 2bjh n ILE 105 N -4.94 1.76 0.13 2.65 -5.35 -0.63 -0.20 119.36 112.79 2bjh n ILE 105 Ca -0.12 0.44 0.02 0.00 -0.27 0.00 0.00 62.75 62.82 2bjh n ILE 105 Cb 0.37 -1.44 0.02 0.00 -1.74 0.00 0.00 39.64 36.86 2bjh n ILE 105 CO 0.00 0.00 0.00 -1.28 -1.76 0.00 0.00 176.55 173.51 2bjh h SER 106 N 0.00 0.00 0.00 7.28 0.87 -0.83 -3.36 113.55 117.51 2bjh h SER 106 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2bjh h SER 106 Cb 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.96 2bjh h SER 106 CO 0.00 0.55 0.00 1.33 -0.53 0.00 0.00 176.83 178.18 2bjh n VAL 107 N -3.25 0.00 -0.14 2.23 0.24 0.70 -4.90 118.33 113.21 2bjh n VAL 107 Ca 0.02 -0.33 -0.04 0.00 -2.04 0.00 0.00 64.34 61.95 2bjh n VAL 107 Cb 0.75 1.25 -0.03 0.00 -1.47 0.00 0.00 33.84 34.33 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 -0.17 -0.15 -0.36 7.34 7.27 0.72 0.91 117.38 132.95 2bjh n GLN 108 Ca 0.00 1.14 0.07 0.00 0.07 0.00 0.00 57.00 58.28 2bjh n GLN 108 Cb 0.06 -1.69 0.25 0.00 2.41 0.00 0.00 30.24 31.27 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 0.92 -0.48 1.69 3.32 -1.87 0.13 116.42 120.13 2bjh h ASP 109 Ca 0.05 0.05 -0.12 0.00 0.02 0.00 0.00 57.03 57.03 2bjh h ASP 109 Cb 0.14 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 2bjh h ASP 109 CO -0.31 0.48 -0.18 -0.61 -1.72 0.00 0.00 179.24 176.90 2bjh h GLN 110 N 0.98 0.98 0.41 3.56 4.15 -1.28 -2.55 115.11 121.36 2bjh h GLN 110 Ca 0.50 -0.40 -0.02 0.00 0.77 0.00 0.00 58.65 59.50 2bjh h GLN 110 Cb 0.51 -0.04 0.00 0.00 0.21 0.00 0.00 27.48 28.16 2bjh h GLN 110 CO -0.27 1.08 -0.20 0.28 -1.93 0.00 0.00 178.83 177.79 2bjh h VAL 111 N 0.83 0.52 -0.84 2.39 2.07 0.17 -1.90 116.25 119.48 2bjh h VAL 111 Ca 0.11 -0.49 0.13 0.00 0.82 0.00 0.00 66.70 67.28 2bjh h VAL 111 Cb 0.76 0.72 -0.09 0.00 -1.52 0.00 0.00 31.29 31.16 2bjh h VAL 111 CO 0.06 0.08 0.45 -0.33 0.02 0.00 0.00 177.57 177.85 2bjh h GLU 112 N -0.86 0.67 -0.31 1.57 5.08 -1.09 0.19 114.58 119.82 2bjh h GLU 112 Ca -0.06 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.26 2bjh h GLU 112 Cb 0.55 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.64 2bjh h GLU 112 CO 0.09 0.44 0.17 0.77 -1.00 0.00 0.00 179.01 179.48 2bjh h SER 113 N 0.69 0.40 0.47 1.42 0.02 -1.44 0.88 113.55 115.99 2bjh h SER 113 Ca 0.44 -0.09 -0.10 0.00 -0.84 0.00 0.00 61.79 61.20 2bjh h SER 113 Cb 0.55 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 62.97 2bjh h SER 113 CO -0.32 0.38 -0.47 -0.07 -1.14 0.00 0.00 176.83 175.21 2bjh h LEU 114 N 0.38 0.00 -0.10 5.07 3.38 -0.49 0.27 115.31 123.82 2bjh h LEU 114 Ca 0.11 -0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.86 2bjh h LEU 114 Cb 0.07 -0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.84 2bjh h LEU 114 CO -0.02 0.47 -0.79 0.58 0.09 0.00 0.00 178.44 178.78 2bjh h VAL 115 N 0.00 1.30 -0.11 1.22 2.07 -0.73 -3.21 116.25 116.79 2bjh h VAL 115 Ca -0.00 -2.02 -0.01 0.00 0.82 0.00 0.00 66.70 65.49 2bjh h VAL 115 Cb 0.83 2.16 -0.00 0.00 -1.52 0.00 0.00 31.29 32.76 2bjh h VAL 115 CO 0.06 0.63 0.04 0.50 0.02 0.00 0.00 177.57 178.82 2bjh h LYS 116 N 0.39 0.17 -0.00 1.57 3.64 -0.56 0.20 116.57 121.98 2bjh h LYS 116 Ca -0.07 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.28 2bjh h LYS 116 Cb 1.43 -0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 33.22 2bjh h LYS 116 CO 0.16 0.30 0.50 0.37 -2.27 0.00 0.00 179.45 178.51 2bjh h GLN 117 N 0.01 0.00 0.00 1.90 -0.00 -0.49 0.25 115.11 116.78 2bjh h GLN 117 Ca 0.04 0.00 -0.27 0.00 -0.00 0.00 0.00 58.65 58.42 2bjh h GLN 117 Cb 0.19 0.00 -0.05 0.00 0.00 0.00 0.00 27.48 27.63 2bjh h GLN 117 CO -0.00 0.00 -1.99 1.04 0.00 0.00 0.00 178.83 177.88 2bjh n GLN 118 N -2.79 0.42 -0.07 1.69 1.13 -0.95 -4.50 117.38 112.31 2bjh n GLN 118 Ca -0.01 0.11 0.02 0.00 -1.94 0.00 0.00 57.00 55.18 2bjh n GLN 118 Cb 0.54 -1.31 0.35 0.00 0.11 0.00 0.00 30.24 29.93 2bjh n GLN 118 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2bjh h ALA 119 N -0.13 1.59 0.00 -1.58 0.00 0.88 0.76 119.26 120.78 2bjh h ALA 119 Ca -0.40 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.46 2bjh h ALA 119 Cb 1.56 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 19.14 2bjh h ALA 119 CO -0.10 0.36 0.00 -1.13 0.00 0.00 0.00 179.25 178.38 2bjh n SER 120 N -4.44 0.14 -0.11 0.00 3.41 0.75 -1.58 113.62 111.78 2bjh n SER 120 Ca 0.05 0.53 -0.18 0.00 -0.26 0.00 0.00 58.87 59.01 2bjh n SER 120 Cb 0.07 -0.56 -0.13 0.00 -0.26 0.00 0.00 64.21 63.33 2bjh n SER 120 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2bjh n GLN 121 N -1.65 0.67 -3.43 4.33 6.02 0.14 -4.68 117.38 118.77 2bjh n GLN 121 Ca 0.03 0.15 -0.26 0.00 -0.01 0.00 0.00 57.00 56.91 2bjh n GLN 121 Cb 0.18 -1.55 -0.08 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 -3.24 2.45 -0.23 1.08 4.01 -0.46 -4.94 117.16 115.82 2bjh n TYR 122 Ca -0.43 -4.00 0.18 0.00 -0.16 0.00 0.00 57.90 53.49 2bjh n TYR 122 Cb 1.01 -0.48 0.50 0.00 -0.31 0.00 0.00 39.34 40.07 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 4.37 0.41 0.00 -0.72 0.11 -1.56 -1.40 132.00 133.21 2bjh h PRO 123 Ca 0.17 -0.02 -0.12 0.00 0.11 0.00 0.00 66.00 66.13 2bjh h PRO 123 Cb 0.74 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 31.73 2bjh h PRO 123 CO 0.71 0.27 -0.59 0.38 -0.21 0.00 0.00 178.00 178.57 2bjh h ASP 124 N 0.43 0.00 -3.84 -2.05 3.04 -1.92 -3.47 116.42 108.61 2bjh h ASP 124 Ca 0.46 0.00 -0.56 0.00 -3.24 0.00 0.00 57.03 53.68 2bjh h ASP 124 Cb 1.10 0.00 0.16 0.00 -1.04 0.00 0.00 39.33 39.55 2bjh h ASP 124 CO -0.17 0.59 0.32 -1.22 -2.04 0.00 0.00 179.24 176.72 2bjh n TYR 125 N -3.42 1.39 -2.63 4.15 4.02 -0.53 -4.99 117.16 115.15 2bjh n TYR 125 Ca 0.00 0.43 -0.32 0.00 -0.01 0.00 0.00 57.90 58.00 2bjh n TYR 125 Cb 0.70 -2.21 -0.05 0.00 -0.02 0.00 0.00 39.34 37.76 2bjh n TYR 125 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2bjh s ALA 126 N -1.45 3.11 -0.30 -0.72 0.00 -0.78 -4.81 121.76 116.81 2bjh s ALA 126 Ca 0.79 0.20 -0.03 0.00 0.00 0.00 0.00 51.96 52.91 2bjh s ALA 126 Cb -0.40 -3.06 0.04 0.00 0.00 0.00 0.00 23.12 19.71 2bjh s ALA 126 CO 0.44 -0.06 0.03 -0.51 0.00 0.00 0.00 175.76 175.65 2bjh s LEU 127 N -3.70 3.91 -0.07 0.00 1.43 -0.09 0.11 118.68 120.27 2bjh s LEU 127 Ca 0.59 -1.13 0.01 0.00 -1.03 0.00 0.00 54.13 52.56 2bjh s LEU 127 Cb -0.10 -1.76 -0.03 0.00 0.03 0.00 0.00 46.19 44.33 2bjh s LEU 127 CO 0.25 -0.25 -0.08 -0.89 0.23 0.00 0.00 176.35 175.61 2bjh s THR 128 N 1.32 3.62 -0.03 5.49 2.01 0.35 -1.05 115.64 127.36 2bjh s THR 128 Ca -0.03 -0.51 0.06 0.00 0.31 0.00 0.00 61.69 61.52 2bjh s THR 128 Cb -0.19 -2.48 -0.01 0.00 0.01 0.00 0.00 72.50 69.83 2bjh s THR 128 CO -0.00 0.59 -0.21 -0.69 -0.69 0.00 0.00 174.62 173.62 2bjh s VAL 129 N -0.69 1.65 0.20 3.82 1.01 -0.80 0.54 120.40 126.13 2bjh s VAL 129 Ca 0.10 -0.88 -0.23 0.00 0.00 0.00 0.00 61.98 60.98 2bjh s VAL 129 Cb -0.11 -1.39 0.05 0.00 0.00 0.00 0.00 36.38 34.93 2bjh s VAL 129 CO 0.02 0.47 0.69 0.28 0.00 0.00 0.00 175.10 176.56 2bjh s THR 130 N -0.35 0.00 0.00 3.92 -1.32 0.58 -1.68 115.64 116.79 2bjh s THR 130 Ca 0.04 -0.45 0.00 0.00 -1.21 0.00 0.00 61.69 60.07 2bjh s THR 130 Cb -0.09 -1.48 0.00 0.00 -1.51 0.00 0.00 72.50 69.42 2bjh s THR 130 CO 0.00 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.02 2bjh n GLY 131 N -0.41 -0.17 3.08 6.08 0.00 -1.21 -1.63 105.19 110.93 2bjh n GLY 131 Ca -0.10 -1.03 -0.29 0.00 0.00 0.00 0.00 46.02 44.61 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 2.01 0.00 1.61 2.46 -1.25 -2.59 115.29 115.53 2bjh s HIS 132 Ca 0.00 -0.91 0.00 0.00 0.47 0.00 0.00 55.06 54.62 2bjh s HIS 132 Cb 0.00 -1.43 0.00 0.00 -0.13 0.00 0.00 32.58 31.02 2bjh s HIS 132 CO 0.00 -0.45 0.00 0.00 -2.47 0.00 0.00 174.74 171.82 2bjh n ALA 133 N 4.07 0.00 -0.15 1.58 0.00 -0.36 -1.79 120.51 123.87 2bjh n ALA 133 Ca -0.20 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.17 2bjh n ALA 133 Cb 0.51 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.94 2bjh n ALA 133 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2bjh h LEU 134 N 0.00 -1.24 -1.45 0.00 7.12 -1.88 0.87 115.31 118.74 2bjh h LEU 134 Ca 0.00 0.21 0.19 0.00 0.13 0.00 0.00 57.88 58.41 2bjh h LEU 134 Cb 0.00 0.57 -0.07 0.00 -0.53 0.00 0.00 40.66 40.63 2bjh h LEU 134 CO 0.00 -0.33 0.59 1.23 -0.13 0.00 0.00 178.44 179.79 2bjh h GLY 135 N -0.25 0.96 0.89 3.75 0.00 -1.06 -1.34 103.07 106.01 2bjh h GLY 135 Ca 0.18 -0.21 -0.00 0.00 0.00 0.00 0.00 47.33 47.29 2bjh h GLY 135 CO -0.60 0.01 -0.05 0.00 0.00 0.00 0.00 176.54 175.91 2bjh h ALA 136 N 1.61 -0.13 -0.08 3.60 0.00 0.70 -1.62 119.26 123.34 2bjh h ALA 136 Ca 0.46 -0.08 -0.07 0.00 0.00 0.00 0.00 54.91 55.22 2bjh h ALA 136 Cb 1.05 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 2bjh h ALA 136 CO -0.19 -0.52 -0.28 0.77 0.00 0.00 0.00 179.25 179.03 2bjh h SER 137 N -0.24 0.14 -0.23 0.00 0.02 -0.21 -0.76 113.55 112.27 2bjh h SER 137 Ca -0.01 -0.04 -0.07 0.00 -0.84 0.00 0.00 61.79 60.82 2bjh h SER 137 Cb 0.20 -0.04 -0.02 0.00 0.14 0.00 0.00 62.40 62.69 2bjh h SER 137 CO 0.02 0.43 -0.08 0.24 -1.14 0.00 0.00 176.83 176.30 2bjh h MET 138 N 0.13 0.59 -0.15 3.45 2.86 -1.12 -1.49 114.93 119.20 2bjh h MET 138 Ca 0.02 -0.16 -0.08 0.00 -2.06 0.00 0.00 59.70 57.42 2bjh h MET 138 Cb 0.57 -0.07 -0.00 0.00 0.06 0.00 0.00 31.60 32.16 2bjh h MET 138 CO 0.04 0.67 -0.22 0.00 1.06 0.00 0.00 176.91 178.46 2bjh h ALA 139 N 1.37 0.23 -0.28 6.32 0.00 -0.38 -2.05 119.26 124.47 2bjh h ALA 139 Ca 0.10 -0.37 0.04 0.00 0.00 0.00 0.00 54.91 54.68 2bjh h ALA 139 Cb 0.47 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.18 2bjh h ALA 139 CO 0.02 0.19 0.05 0.00 0.00 0.00 0.00 179.25 179.51 2bjh h ALA 140 N 0.58 0.29 -0.68 0.00 0.00 -0.86 0.84 119.26 119.42 2bjh h ALA 140 Ca 0.02 0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 2bjh h ALA 140 Cb 0.79 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.62 2bjh h ALA 140 CO 0.05 -0.36 0.25 -0.07 0.00 0.00 0.00 179.25 179.12 2bjh h LEU 141 N 0.15 0.95 0.33 0.00 3.38 -1.32 -1.03 115.31 117.77 2bjh h LEU 141 Ca 0.13 -0.18 -0.02 0.00 0.09 0.00 0.00 57.88 57.90 2bjh h LEU 141 Cb 0.13 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.64 2bjh h LEU 141 CO -0.17 0.88 -0.16 0.74 0.09 0.00 0.00 178.44 179.82 2bjh h THR 142 N 0.97 0.69 -0.38 0.22 2.02 -0.65 -0.69 112.91 115.09 2bjh h THR 142 Ca 0.22 -0.45 0.08 0.00 0.77 0.00 0.00 66.41 67.03 2bjh h THR 142 Cb 0.24 0.92 -0.07 0.00 -1.74 0.00 0.00 68.15 67.50 2bjh h THR 142 CO -0.01 0.09 -0.11 0.00 0.37 0.00 0.00 175.52 175.85 2bjh h ALA 143 N -0.12 0.22 -0.86 6.16 0.00 0.71 0.48 119.26 125.85 2bjh h ALA 143 Ca -0.04 0.15 0.12 0.00 0.00 0.00 0.00 54.91 55.13 2bjh h ALA 143 Cb 0.48 0.32 -0.08 0.00 0.00 0.00 0.00 17.79 18.51 2bjh h ALA 143 CO 0.07 -0.48 0.49 0.00 0.00 0.00 0.00 179.25 179.34 2bjh h ALA 144 N 1.33 1.27 0.20 0.00 0.00 -1.08 0.42 119.26 121.41 2bjh h ALA 144 Ca 0.18 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 2bjh h ALA 144 Cb 0.31 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.99 2bjh h ALA 144 CO -0.40 0.05 -0.10 0.37 0.00 0.00 0.00 179.25 179.17 2bjh h GLN 145 N 0.77 -0.27 -0.56 0.00 5.75 0.49 -3.11 115.11 118.18 2bjh h GLN 145 Ca 0.44 0.02 0.10 0.00 -0.15 0.00 0.00 58.65 59.05 2bjh h GLN 145 Cb 0.49 0.06 -0.03 0.00 1.07 0.00 0.00 27.48 29.06 2bjh h GLN 145 CO -0.29 0.08 0.38 -0.07 -2.65 0.00 0.00 178.83 176.28 2bjh h LEU 146 N -0.66 0.30 -1.08 -2.39 3.38 0.64 -1.74 115.31 113.77 2bjh h LEU 146 Ca -0.03 0.01 0.20 0.00 0.09 0.00 0.00 57.88 58.15 2bjh h LEU 146 Cb 0.47 -0.06 -0.10 0.00 0.09 0.00 0.00 40.66 41.06 2bjh h LEU 146 CO 0.05 0.18 0.61 0.28 0.09 0.00 0.00 178.44 179.65 2bjh h SER 147 N 0.33 0.73 0.43 -0.43 0.02 -0.11 0.12 113.55 114.64 2bjh h SER 147 Ca 0.26 0.09 0.00 0.00 -0.84 0.00 0.00 61.79 61.30 2bjh h SER 147 Cb 0.57 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.08 2bjh h SER 147 CO -0.06 0.25 0.00 0.00 -1.14 0.00 0.00 176.83 175.88 2bjh h ALA 148 N 1.64 1.00 0.00 3.77 0.00 -1.39 -3.34 119.26 120.94 2bjh h ALA 148 Ca 0.57 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.45 2bjh h ALA 148 Cb 0.97 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.76 2bjh h ALA 148 CO -0.36 0.00 -0.68 2.41 0.00 0.00 0.00 179.25 180.62 2bjh n THR 149 N -2.77 1.31 -3.42 0.00 -1.04 0.26 -5.04 114.28 103.58 2bjh n THR 149 Ca -0.01 0.21 -0.28 0.00 -2.04 0.00 0.00 64.05 61.93 2bjh n THR 149 Cb 0.16 -1.96 -0.03 0.00 -1.82 0.00 0.00 70.33 66.68 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 -2.46 3.48 -0.16 -1.42 1.51 -0.23 -5.04 117.35 113.04 2bjh s TYR 150 Ca -0.16 0.55 0.15 0.00 -1.01 0.00 0.00 57.07 56.60 2bjh s TYR 150 Cb 0.03 -2.03 -0.24 0.00 -0.11 0.00 0.00 41.96 39.61 2bjh s TYR 150 CO 0.23 0.22 0.23 -0.25 -1.11 0.00 0.00 175.55 174.87 2bjh n ASP 151 N -0.92 0.44 -3.60 2.29 10.43 -1.26 -4.41 116.55 119.52 2bjh n ASP 151 Ca -0.03 0.12 -0.41 0.00 2.57 0.00 0.00 54.79 57.05 2bjh n ASP 151 Cb 0.54 0.55 0.01 0.00 1.84 0.00 0.00 41.12 44.05 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 -2.89 7.48 -4.47 -2.24 2.04 -1.26 -4.95 115.26 108.98 2bjh n ASN 152 Ca -0.29 -3.33 -0.35 0.00 -0.44 0.00 0.00 54.58 50.16 2bjh n ASN 152 Cb 1.11 -1.30 -0.12 0.00 -2.53 0.00 0.00 39.78 36.94 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 -2.16 4.13 0.20 3.53 1.01 -1.26 -0.91 120.40 124.94 2bjh s VAL 153 Ca 0.47 -0.25 0.11 0.00 0.00 0.00 0.00 61.98 62.31 2bjh s VAL 153 Cb 0.17 -2.88 -0.04 0.00 0.00 0.00 0.00 36.38 33.63 2bjh s VAL 153 CO -0.09 0.41 -0.22 -0.13 0.00 0.00 0.00 175.10 175.08 2bjh s ARG 154 N 1.04 1.60 -0.05 2.72 1.81 -0.21 -4.94 118.95 120.92 2bjh s ARG 154 Ca 0.03 -1.51 0.01 0.00 -1.72 0.00 0.00 55.73 52.54 2bjh s ARG 154 Cb -0.14 -1.88 0.02 0.00 -0.45 0.00 0.00 34.95 32.50 2bjh s ARG 154 CO 0.02 0.40 -0.06 -1.17 -0.68 0.00 0.00 175.30 173.81 2bjh s LEU 155 N -2.74 1.36 -0.17 2.53 2.96 0.38 -1.90 118.68 121.10 2bjh s LEU 155 Ca 0.22 -0.18 0.01 0.00 -0.22 0.00 0.00 54.13 53.96 2bjh s LEU 155 Cb -0.08 -0.57 0.02 0.00 0.50 0.00 0.00 46.19 46.07 2bjh s LEU 155 CO 0.11 -0.04 -0.17 -0.31 -1.32 0.00 0.00 176.35 174.61 2bjh s TYR 156 N 0.96 2.56 0.22 5.38 1.51 -0.68 -0.21 117.35 127.09 2bjh s TYR 156 Ca -0.10 -1.52 0.11 0.00 -1.01 0.00 0.00 57.07 54.56 2bjh s TYR 156 Cb -0.14 -1.79 -0.05 0.00 -0.11 0.00 0.00 41.96 39.87 2bjh s TYR 156 CO 0.00 -0.76 -0.22 0.95 -1.11 0.00 0.00 175.55 174.41 2bjh s THR 157 N 1.36 2.42 -0.08 -0.71 -4.23 -0.24 -3.34 115.64 110.82 2bjh s THR 157 Ca 0.04 -2.13 -0.02 0.00 -1.18 0.00 0.00 61.69 58.41 2bjh s THR 157 Cb -0.13 -2.19 0.03 0.00 1.34 0.00 0.00 72.50 71.55 2bjh s THR 157 CO -0.12 -0.20 0.03 -0.36 -0.54 0.00 0.00 174.62 173.44 2bjh s PHE 158 N -1.91 0.44 -1.24 3.99 0.40 -1.07 -0.55 117.98 118.04 2bjh s PHE 158 Ca 0.23 -0.07 0.00 0.00 -0.60 0.00 0.00 56.93 56.49 2bjh s PHE 158 Cb -0.07 -0.69 0.00 0.00 0.51 0.00 0.00 43.02 42.76 2bjh s PHE 158 CO 0.11 -0.31 0.00 0.41 0.70 0.00 0.00 175.22 176.13 2bjh n GLY 159 N 5.20 0.31 3.69 4.36 0.00 -0.81 -1.22 105.19 116.73 2bjh n GLY 159 Ca -0.06 -0.34 -0.42 0.00 0.00 0.00 0.00 46.02 45.20 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 -4.20 4.20 1.10 1.61 2.12 -1.26 -3.80 118.70 118.47 2bjh s GLU 160 Ca 0.00 2.35 -0.14 0.00 0.36 0.00 0.00 54.97 57.54 2bjh s GLU 160 Cb 0.00 -3.55 0.24 0.00 0.26 0.00 0.00 34.13 31.08 2bjh s GLU 160 CO 0.00 -0.73 1.07 -2.14 -0.54 0.00 0.00 175.26 172.92 2bjh s PRO 161 N 2.50 -0.37 -0.37 4.30 0.02 -1.26 -4.13 135.00 135.68 2bjh s PRO 161 Ca 0.74 0.44 -0.29 0.00 0.02 0.00 0.00 61.00 61.91 2bjh s PRO 161 Cb -0.41 -1.65 -0.00 0.00 0.02 0.00 0.00 34.50 32.46 2bjh s PRO 161 CO 0.32 -3.26 1.55 1.03 -0.33 0.00 0.00 177.00 176.32 2bjh s ARG 162 N -4.93 3.51 0.17 5.54 0.52 0.13 -4.85 118.95 119.04 2bjh s ARG 162 Ca 0.67 1.14 0.24 0.00 -0.52 0.00 0.00 55.73 57.27 2bjh s ARG 162 Cb -0.18 -4.08 0.91 0.00 0.52 0.00 0.00 34.95 32.11 2bjh s ARG 162 CO 0.59 -1.64 1.74 0.43 0.02 0.00 0.00 175.30 176.44 2bjh n SER 163 N 9.27 0.57 -1.00 0.23 7.64 -1.26 -4.24 113.62 124.82 2bjh n SER 163 Ca 0.19 0.59 0.00 0.00 1.01 0.00 0.00 58.87 60.65 2bjh n SER 163 Cb 0.47 -0.73 0.00 0.00 -1.01 0.00 0.00 64.21 62.95 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 0.76 0.75 2.26 0.23 0.00 -1.26 -0.49 105.19 107.45 2bjh n GLY 164 Ca 0.04 -0.85 -0.18 0.00 0.00 0.00 0.00 46.02 45.04 2bjh n GLY 164 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2bjh n ASN 165 N -0.23 -0.62 -0.03 1.61 0.23 0.14 -0.79 115.26 115.57 2bjh n ASN 165 Ca 0.00 -1.14 -0.10 0.00 -0.53 0.00 0.00 54.58 52.81 2bjh n ASN 165 Cb 0.00 -0.61 0.04 0.00 -2.08 0.00 0.00 39.78 37.13 2bjh n ASN 165 CO 0.00 0.00 0.00 -0.61 -0.93 0.00 0.00 177.26 175.72 2bjh h GLN 166 N 0.00 0.68 -0.97 -3.83 5.75 -1.87 -2.71 115.11 112.15 2bjh h GLN 166 Ca -0.26 -0.39 0.15 0.00 -0.15 0.00 0.00 58.65 58.00 2bjh h GLN 166 Cb 0.74 0.03 -0.09 0.00 1.07 0.00 0.00 27.48 29.22 2bjh h GLN 166 CO 0.18 1.00 0.59 0.00 -2.65 0.00 0.00 178.83 177.95 2bjh h ALA 167 N 0.93 1.52 -0.38 3.38 0.00 -1.90 0.12 119.26 122.93 2bjh h ALA 167 Ca 0.03 0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.93 2bjh h ALA 167 Cb 1.02 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 2bjh h ALA 167 CO 0.10 0.09 -0.01 0.35 0.00 0.00 0.00 179.25 179.77 2bjh h PHE 168 N 0.86 0.74 -0.41 0.00 3.57 -1.79 -2.74 116.94 117.17 2bjh h PHE 168 Ca 0.52 -0.13 -0.00 0.00 3.53 0.00 0.00 57.97 61.88 2bjh h PHE 168 Cb 0.64 -0.19 -0.02 0.00 2.79 0.00 0.00 35.95 39.17 2bjh h PHE 168 CO -0.02 0.77 0.24 0.00 -2.23 0.00 0.00 178.31 177.07 2bjh h ALA 169 N 0.87 1.66 -0.32 2.41 0.00 -0.57 -1.58 119.26 121.72 2bjh h ALA 169 Ca 0.10 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.90 2bjh h ALA 169 Cb 0.49 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 2bjh h ALA 169 CO 0.02 0.30 -0.04 0.77 0.00 0.00 0.00 179.25 180.31 2bjh h SER 170 N 0.56 0.59 -0.57 0.00 0.02 -0.67 0.89 113.55 114.37 2bjh h SER 170 Ca 0.15 -0.34 0.01 0.00 -0.84 0.00 0.00 61.79 60.77 2bjh h SER 170 Cb -0.01 -0.16 -0.03 0.00 0.14 0.00 0.00 62.40 62.34 2bjh h SER 170 CO -0.03 0.79 0.38 0.22 -1.14 0.00 0.00 176.83 177.05 2bjh h TYR 171 N 0.38 0.72 -0.12 3.45 3.20 -1.19 -0.75 116.97 122.66 2bjh h TYR 171 Ca 0.09 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 61.97 2bjh h TYR 171 Cb 0.51 -0.24 -0.01 0.00 1.54 0.00 0.00 36.73 38.53 2bjh h TYR 171 CO 0.04 0.45 0.05 0.52 -1.64 0.00 0.00 178.16 177.59 2bjh h MET 172 N 0.77 0.17 -0.41 1.82 2.86 -1.06 0.33 114.93 119.41 2bjh h MET 172 Ca 0.21 -0.03 -0.04 0.00 -2.06 0.00 0.00 59.70 57.79 2bjh h MET 172 Cb -0.09 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 31.52 2bjh h MET 172 CO -0.05 0.23 0.11 -0.91 1.06 0.00 0.00 176.91 177.35 2bjh h ASN 173 N 0.06 0.56 0.28 1.22 2.35 -0.61 0.11 115.58 119.54 2bjh h ASN 173 Ca 0.04 -0.08 -0.27 0.00 -0.55 0.00 0.00 56.30 55.44 2bjh h ASN 173 Cb 0.12 -0.14 0.02 0.00 0.05 0.00 0.00 38.32 38.37 2bjh h ASN 173 CO -0.00 0.56 -1.14 -0.78 -1.65 0.00 0.00 177.43 174.41 2bjh h ASP 174 N 0.60 0.70 1.03 5.81 3.58 -0.91 0.27 116.42 127.50 2bjh h ASP 174 Ca 0.14 -0.63 -0.11 0.00 0.42 0.00 0.00 57.03 56.86 2bjh h ASP 174 Cb 0.22 -0.22 -0.02 0.00 1.72 0.00 0.00 39.33 41.03 2bjh h ASP 174 CO -0.00 1.45 -0.50 0.00 -2.88 0.00 0.00 179.24 177.30 2bjh h ALA 175 N 0.49 0.83 -0.16 -0.78 0.00 0.00 -3.30 119.26 116.34 2bjh h ALA 175 Ca -0.14 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.31 2bjh h ALA 175 Cb 1.81 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.52 2bjh h ALA 175 CO 0.21 0.63 0.00 1.19 0.00 0.00 0.00 179.25 181.27 2bjh n PHE 176 N -3.45 0.38 -3.56 0.00 3.01 0.35 -5.01 117.46 109.18 2bjh n PHE 176 Ca 0.00 -0.73 -0.22 0.00 1.01 0.00 0.00 57.45 57.51 2bjh n PHE 176 Cb 0.63 -0.14 0.08 0.00 -0.01 0.00 0.00 39.48 40.04 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 -0.50 -7.63 0.13 -1.08 6.02 -0.71 -0.29 117.38 113.33 2bjh n GLN 177 Ca 0.13 0.83 0.11 0.00 -0.01 0.00 0.00 57.00 58.06 2bjh n GLN 177 Cb 0.57 -5.88 0.51 0.00 1.02 0.00 0.00 30.24 26.46 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 -4.80 0.97 -0.37 5.09 0.31 0.88 -3.04 118.33 117.37 2bjh n VAL 178 Ca -0.06 0.45 0.34 0.00 -0.01 0.00 0.00 64.34 65.06 2bjh n VAL 178 Cb 0.59 -1.41 0.61 0.00 -0.91 0.00 0.00 33.84 32.72 2bjh n VAL 178 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 2bjh n SER 179 N -2.19 0.29 -3.91 4.52 7.64 -1.26 -4.35 113.62 114.35 2bjh n SER 179 Ca 0.01 1.52 -0.11 0.00 1.01 0.00 0.00 58.87 61.30 2bjh n SER 179 Cb 0.14 -0.74 -0.12 0.00 -1.01 0.00 0.00 64.21 62.47 2bjh n SER 179 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2bjh s SER 180 N -4.43 0.10 0.18 6.43 0.15 -1.17 -5.04 113.70 109.92 2bjh s SER 180 Ca -0.08 -0.21 0.21 0.00 0.70 0.00 0.00 55.95 56.57 2bjh s SER 180 Cb 0.32 0.08 0.88 0.00 -1.71 0.00 0.00 66.02 65.59 2bjh s SER 180 CO 0.78 -0.16 1.66 -2.65 1.20 0.00 0.00 173.24 174.07 2bjh n PRO 181 N 2.32 0.14 -0.00 5.44 -0.02 -1.26 -1.99 135.00 139.63 2bjh n PRO 181 Ca -0.18 0.35 -0.09 0.00 -2.02 0.00 0.00 63.50 61.56 2bjh n PRO 181 Cb 0.57 -1.76 -0.14 0.00 -0.02 0.00 0.00 33.50 32.16 2bjh n PRO 181 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 2bjh h GLU 182 N 0.00 0.03 -0.03 -0.52 4.81 -1.94 -3.34 114.58 113.58 2bjh h GLU 182 Ca 0.00 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.18 2bjh h GLU 182 Cb 0.36 0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.76 2bjh h GLU 182 CO 0.00 0.65 0.00 0.25 -0.73 0.00 0.00 179.01 179.18 2bjh n THR 183 N -3.14 0.00 -1.69 0.32 -2.24 -1.15 -5.00 114.28 101.38 2bjh n THR 183 Ca -0.15 -0.50 -0.38 0.00 -2.27 0.00 0.00 64.05 60.75 2bjh n THR 183 Cb 1.03 1.44 0.05 0.00 -2.10 0.00 0.00 70.33 70.75 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 1.18 4.09 -0.73 4.28 -1.04 -0.84 -4.65 114.28 116.58 2bjh n THR 184 Ca 0.12 -0.50 0.01 0.00 -2.04 0.00 0.00 64.05 61.64 2bjh n THR 184 Cb 0.53 -1.42 0.01 0.00 -1.82 0.00 0.00 70.33 67.63 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 -1.24 1.24 -3.70 -2.82 6.02 0.60 -4.94 117.38 112.54 2bjh n GLN 185 Ca 0.13 -1.11 -0.30 0.00 -0.01 0.00 0.00 57.00 55.72 2bjh n GLN 185 Cb 0.46 -0.78 -0.15 0.00 1.02 0.00 0.00 30.24 30.80 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 -0.63 1.40 -0.37 1.08 5.04 -1.25 0.15 117.35 122.76 2bjh s TYR 186 Ca 0.03 -1.52 -0.13 0.00 -2.44 0.00 0.00 57.07 53.01 2bjh s TYR 186 Cb 0.02 -1.52 0.00 0.00 0.35 0.00 0.00 41.96 40.82 2bjh s TYR 186 CO 0.00 -0.85 0.26 -0.06 -1.34 0.00 0.00 175.55 173.56 2bjh s PHE 187 N 1.72 3.23 -0.87 4.97 0.40 0.70 -2.39 117.98 125.75 2bjh s PHE 187 Ca 0.09 -0.45 -0.15 0.00 -0.60 0.00 0.00 56.93 55.82 2bjh s PHE 187 Cb -0.17 -2.51 0.20 0.00 0.51 0.00 0.00 43.02 41.05 2bjh s PHE 187 CO -0.27 -0.49 0.88 0.50 0.70 0.00 0.00 175.22 176.55 2bjh s ARG 188 N 1.68 3.64 0.06 0.44 3.52 0.21 -1.08 118.95 127.43 2bjh s ARG 188 Ca 0.05 -2.34 -0.30 0.00 -0.13 0.00 0.00 55.73 53.01 2bjh s ARG 188 Cb -0.18 -4.56 -0.05 0.00 -1.56 0.00 0.00 34.95 28.60 2bjh s ARG 188 CO 0.10 -1.41 1.04 0.08 -0.81 0.00 0.00 175.30 174.30 2bjh s VAL 189 N 0.71 4.48 0.14 7.11 1.01 0.29 -0.80 120.40 133.33 2bjh s VAL 189 Ca 0.23 1.87 0.05 0.00 0.00 0.00 0.00 61.98 64.12 2bjh s VAL 189 Cb -0.09 -4.20 -0.04 0.00 0.00 0.00 0.00 36.38 32.05 2bjh s VAL 189 CO -0.09 0.19 -0.11 0.42 0.00 0.00 0.00 175.10 175.51 2bjh s THR 190 N 0.67 1.22 -0.06 3.92 -4.23 -0.06 -1.92 115.64 115.19 2bjh s THR 190 Ca 0.52 -1.98 0.00 0.00 -1.18 0.00 0.00 61.69 59.06 2bjh s THR 190 Cb -0.24 -1.77 0.02 0.00 1.34 0.00 0.00 72.50 71.85 2bjh s THR 190 CO 0.29 -0.66 -0.04 -2.28 -0.54 0.00 0.00 174.62 171.39 2bjh s HIS 191 N -3.02 0.83 0.00 3.99 5.65 -1.26 0.60 115.29 122.08 2bjh s HIS 191 Ca 0.15 -0.26 0.00 0.00 0.25 0.00 0.00 55.06 55.19 2bjh s HIS 191 Cb 0.01 -0.77 0.00 0.00 -1.18 0.00 0.00 32.58 30.63 2bjh s HIS 191 CO 0.01 -0.26 0.00 0.45 -0.65 0.00 0.00 174.74 174.30 2bjh n SER 192 N 4.39 0.00 -2.20 9.88 2.88 0.76 -0.78 113.62 128.54 2bjh n SER 192 Ca -0.19 0.00 -0.29 0.00 -1.33 0.00 0.00 58.87 57.05 2bjh n SER 192 Cb 0.51 0.00 0.10 0.00 -0.75 0.00 0.00 64.21 64.07 2bjh n SER 192 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 2bjh n ASN 193 N 3.23 6.19 -4.69 -3.46 2.04 -1.26 -4.60 115.26 112.71 2bjh n ASN 193 Ca 0.00 -3.75 -0.54 0.00 -0.44 0.00 0.00 54.58 49.85 2bjh n ASN 193 Cb 0.00 -0.86 -0.06 0.00 -2.53 0.00 0.00 39.78 36.33 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 -0.96 2.59 0.08 0.53 -0.08 0.04 -3.51 116.55 115.24 2bjh n ASP 194 Ca 0.58 1.05 0.13 0.00 -1.51 0.00 0.00 54.79 55.05 2bjh n ASP 194 Cb 0.95 -1.21 0.40 0.00 2.34 0.00 0.00 41.12 43.59 2bjh n ASP 194 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2bjh n GLY 195 N 4.04 -1.61 0.25 0.27 0.00 -1.26 -4.06 105.19 102.81 2bjh n GLY 195 Ca 0.24 -0.09 -0.11 0.00 0.00 0.00 0.00 46.02 46.06 2bjh n GLY 195 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2bjh h ILE 196 N 0.00 1.28 0.00 -0.61 1.08 -1.88 -2.83 117.51 114.55 2bjh h ILE 196 Ca 0.00 -1.26 0.00 0.00 -0.39 0.00 0.00 64.86 63.21 2bjh h ILE 196 Cb 0.69 1.21 0.00 0.00 -3.07 0.00 0.00 36.82 35.65 2bjh h ILE 196 CO 0.00 0.43 0.00 -0.81 -0.69 0.00 0.00 178.15 177.08 2bjh n PRO 197 N -4.27 0.16 -0.06 2.37 -0.04 -1.26 -0.26 135.00 131.64 2bjh n PRO 197 Ca -0.01 0.08 0.12 0.00 -0.04 0.00 0.00 63.50 63.65 2bjh n PRO 197 Cb 0.40 -1.50 0.15 0.00 -0.04 0.00 0.00 33.50 32.51 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 -1.10 3.09 -4.33 3.54 3.02 -1.07 -4.46 115.26 113.94 2bjh n ASN 198 Ca 0.04 -1.98 -0.32 0.00 -0.03 0.00 0.00 54.58 52.29 2bjh n ASN 198 Cb 0.03 -0.08 -0.15 0.00 -0.61 0.00 0.00 39.78 38.97 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 -1.84 2.35 0.84 3.41 2.01 0.64 -3.67 118.68 122.42 2bjh s LEU 199 Ca 0.32 -0.41 -0.11 0.00 0.01 0.00 0.00 54.13 53.94 2bjh s LEU 199 Cb 0.21 -1.46 0.13 0.00 0.01 0.00 0.00 46.19 45.07 2bjh s LEU 199 CO 0.31 0.25 1.18 -2.16 1.01 0.00 0.00 176.35 176.93 2bjh s PRO 200 N -0.15 1.46 0.34 1.29 0.04 -1.26 0.22 135.00 136.94 2bjh s PRO 200 Ca -0.03 -0.31 -0.29 0.00 0.04 0.00 0.00 61.00 60.42 2bjh s PRO 200 Cb -0.14 -2.00 -0.11 0.00 0.04 0.00 0.00 34.50 32.29 2bjh s PRO 200 CO 0.04 -1.83 1.53 -0.35 0.04 0.00 0.00 177.00 176.43 2bjh n PRO 201 N -3.36 2.67 0.29 0.56 -0.04 -1.24 -4.73 135.00 129.15 2bjh n PRO 201 Ca 0.12 0.94 0.17 0.00 -0.04 0.00 0.00 63.50 64.69 2bjh n PRO 201 Cb 0.60 -2.69 0.95 0.00 -0.04 0.00 0.00 33.50 32.32 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 3.76 1.48 0.00 0.55 0.00 -1.84 -0.13 119.26 123.08 2bjh h ALA 202 Ca -0.49 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.39 2bjh h ALA 202 Cb 1.24 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.02 2bjh h ALA 202 CO 0.71 -0.04 -0.15 -0.44 0.00 0.00 0.00 179.25 179.33 2bjh h ASP 203 N 0.00 0.00 0.17 0.00 5.19 -1.89 -1.50 116.42 118.40 2bjh h ASP 203 Ca 0.01 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.42 2bjh h ASP 203 Cb 0.08 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.59 2bjh h ASP 203 CO -0.00 0.15 -0.00 -0.62 -3.12 0.00 0.00 179.24 175.64 2bjh n GLU 204 N -4.22 0.85 0.00 3.56 1.02 -0.06 -4.87 120.64 116.92 2bjh n GLU 204 Ca -0.02 -0.03 0.00 0.00 -0.02 0.00 0.00 57.16 57.08 2bjh n GLU 204 Cb 0.22 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.14 2bjh n GLU 204 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2bjh n GLY 205 N 1.09 0.91 3.92 0.62 0.00 -0.57 -4.96 105.19 106.21 2bjh n GLY 205 Ca 0.21 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.97 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 -2.00 3.41 0.11 1.61 1.51 -1.22 -3.99 117.35 116.77 2bjh s TYR 206 Ca 0.00 0.58 -0.25 0.00 -1.01 0.00 0.00 57.07 56.39 2bjh s TYR 206 Cb 0.00 -2.35 0.08 0.00 -0.11 0.00 0.00 41.96 39.58 2bjh s TYR 206 CO 0.00 -0.37 0.65 0.00 -1.11 0.00 0.00 175.55 174.72 2bjh s ALA 207 N -2.70 -1.65 -0.00 3.71 0.00 0.03 -4.34 121.76 116.80 2bjh s ALA 207 Ca 0.48 0.67 -0.02 0.00 0.00 0.00 0.00 51.96 53.09 2bjh s ALA 207 Cb -0.10 0.70 -0.04 0.00 0.00 0.00 0.00 23.12 23.68 2bjh s ALA 207 CO 0.42 -0.71 0.14 -1.01 0.00 0.00 0.00 175.76 174.60 2bjh s HIS 208 N -3.34 3.44 0.44 0.00 3.76 -1.26 -4.13 115.29 114.19 2bjh s HIS 208 Ca 0.00 0.29 0.02 0.00 -0.15 0.00 0.00 55.06 55.22 2bjh s HIS 208 Cb -0.01 -1.79 0.02 0.00 1.11 0.00 0.00 32.58 31.92 2bjh s HIS 208 CO -0.10 0.61 0.18 0.41 -0.85 0.00 0.00 174.74 174.99 2bjh n GLY 209 N 1.02 3.21 0.01 -2.22 0.00 -1.26 -4.91 105.19 101.04 2bjh n GLY 209 Ca -0.12 -2.31 0.00 0.00 0.00 0.00 0.00 46.02 43.60 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 -0.22 -1.67 3.75 -0.02 0.00 -1.26 -4.85 105.19 100.92 2bjh n GLY 210 Ca -0.09 -1.51 -0.35 0.00 0.00 0.00 0.00 46.02 44.06 2bjh n GLY 210 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2bjh s VAL 211 N -1.60 5.32 0.10 1.61 0.11 -1.00 -4.91 120.40 120.02 2bjh s VAL 211 Ca 0.00 0.15 -0.24 0.00 -2.93 0.00 0.00 61.98 58.96 2bjh s VAL 211 Cb 0.00 -3.40 -0.07 0.00 -1.53 0.00 0.00 36.38 31.39 2bjh s VAL 211 CO 0.00 0.48 0.72 -0.70 -3.33 0.00 0.00 175.10 172.28 2bjh s GLU 212 N 0.04 4.46 -0.47 1.54 2.12 -0.67 -0.62 118.70 125.10 2bjh s GLU 212 Ca 0.09 1.02 0.03 0.00 0.36 0.00 0.00 54.97 56.47 2bjh s GLU 212 Cb -0.11 -3.30 0.13 0.00 0.26 0.00 0.00 34.13 31.11 2bjh s GLU 212 CO -0.00 0.48 0.23 0.71 -0.54 0.00 0.00 175.26 176.13 2bjh s TYR 213 N -0.72 2.82 -0.34 5.30 1.51 0.01 -0.74 117.35 125.19 2bjh s TYR 213 Ca 0.35 -2.88 -0.27 0.00 -1.01 0.00 0.00 57.07 53.26 2bjh s TYR 213 Cb -0.21 -2.51 0.01 0.00 -0.11 0.00 0.00 41.96 39.14 2bjh s TYR 213 CO 0.23 -0.78 0.96 -0.46 -1.11 0.00 0.00 175.55 174.39 2bjh s TRP 214 N 0.08 3.13 -0.12 2.71 -0.00 -0.69 -0.88 118.94 123.17 2bjh s TRP 214 Ca 0.16 0.96 -0.13 0.00 -0.00 0.00 0.00 56.10 57.09 2bjh s TRP 214 Cb -0.25 -3.58 -0.05 0.00 -0.00 0.00 0.00 33.47 29.60 2bjh s TRP 214 CO -0.01 -0.75 0.30 0.45 -0.00 0.00 0.00 176.95 176.94 2bjh s SER 215 N 1.73 6.52 0.27 5.86 0.15 0.20 -0.24 113.70 128.19 2bjh s SER 215 Ca 0.40 0.61 0.12 0.00 0.70 0.00 0.00 55.95 57.78 2bjh s SER 215 Cb -0.12 -2.19 -0.05 0.00 -1.71 0.00 0.00 66.02 61.95 2bjh s SER 215 CO 0.16 0.18 -0.19 -0.69 1.20 0.00 0.00 173.24 173.91 2bjh s VAL 216 N -0.06 2.56 0.08 4.45 1.01 -0.31 -0.17 120.40 127.95 2bjh s VAL 216 Ca 0.18 -2.33 -0.22 0.00 0.00 0.00 0.00 61.98 59.62 2bjh s VAL 216 Cb -0.14 -2.33 -0.07 0.00 0.00 0.00 0.00 36.38 33.84 2bjh s VAL 216 CO 0.06 -0.37 0.65 -1.81 0.00 0.00 0.00 175.10 173.63 2bjh s ASP 217 N -3.44 7.14 0.07 3.32 -0.00 -1.26 -1.88 116.67 120.63 2bjh s ASP 217 Ca 0.29 1.36 -0.30 0.00 -0.00 0.00 0.00 52.55 53.89 2bjh s ASP 217 Cb -0.05 -2.41 -0.06 0.00 -0.00 0.00 0.00 42.92 40.40 2bjh s ASP 217 CO 0.15 0.20 1.14 -2.84 -0.00 0.00 0.00 175.17 173.82 2bjh s PRO 218 N -0.82 4.48 0.37 8.23 0.02 -1.26 -5.09 135.00 140.94 2bjh s PRO 218 Ca 0.32 1.70 -0.28 0.00 0.02 0.00 0.00 61.00 62.76 2bjh s PRO 218 Cb -0.20 -3.35 -0.11 0.00 0.02 0.00 0.00 34.50 30.86 2bjh s PRO 218 CO 0.21 -0.16 1.51 1.52 -0.33 0.00 0.00 177.00 179.75 2bjh s TYR 219 N 0.80 2.56 -0.05 6.54 -0.85 -0.79 -4.74 117.35 120.83 2bjh s TYR 219 Ca 0.56 1.12 -0.31 0.00 -0.52 0.00 0.00 57.07 57.91 2bjh s TYR 219 Cb -0.28 -4.05 0.12 0.00 0.38 0.00 0.00 41.96 38.13 2bjh s TYR 219 CO 0.30 -3.13 1.27 -1.54 -1.52 0.00 0.00 175.55 170.93 2bjh s SER 220 N -0.07 -0.07 0.24 -0.18 1.04 -1.26 -4.96 113.70 108.43 2bjh s SER 220 Ca 0.54 -0.11 -0.05 0.00 0.48 0.00 0.00 55.95 56.81 2bjh s SER 220 Cb -0.47 0.16 0.25 0.00 0.10 0.00 0.00 66.02 66.06 2bjh s SER 220 CO 0.63 -0.29 1.80 0.00 0.98 0.00 0.00 173.24 176.36 2bjh h ALA 221 N 2.00 1.11 0.00 5.32 0.00 -1.91 -1.51 119.26 124.27 2bjh h ALA 221 Ca -0.26 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.45 2bjh h ALA 221 Cb 1.20 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.70 2bjh h ALA 221 CO 0.27 0.62 0.00 0.37 0.00 0.00 0.00 179.25 180.52 2bjh h GLN 222 N 1.04 0.00 -0.46 0.00 4.15 -1.94 -1.90 115.11 116.00 2bjh h GLN 222 Ca 0.24 0.00 -0.28 0.00 0.77 0.00 0.00 58.65 59.37 2bjh h GLN 222 Cb 0.24 0.00 -0.18 0.00 0.21 0.00 0.00 27.48 27.75 2bjh h GLN 222 CO -0.02 0.00 -0.18 0.09 -1.93 0.00 0.00 178.83 176.79 2bjh n ASN 223 N -2.46 3.33 -4.17 -0.69 4.13 -0.58 -3.87 115.26 110.94 2bjh n ASN 223 Ca 0.01 -3.80 -0.30 0.00 1.68 0.00 0.00 54.58 52.17 2bjh n ASN 223 Cb 0.23 -0.60 -0.17 0.00 -1.54 0.00 0.00 39.78 37.70 2bjh n ASN 223 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 2bjh s THR 224 N -3.66 1.86 0.02 3.41 2.01 -1.02 -1.17 115.64 117.09 2bjh s THR 224 Ca 0.47 -0.89 -0.00 0.00 0.31 0.00 0.00 61.69 61.58 2bjh s THR 224 Cb 0.41 -1.62 -0.04 0.00 0.01 0.00 0.00 72.50 71.26 2bjh s THR 224 CO -0.00 0.51 0.13 -0.36 -0.69 0.00 0.00 174.62 174.21 2bjh s PHE 225 N 0.49 3.38 -0.36 4.92 0.40 0.66 0.12 117.98 127.59 2bjh s PHE 225 Ca -0.16 0.23 -0.13 0.00 -0.60 0.00 0.00 56.93 56.27 2bjh s PHE 225 Cb -0.17 -1.74 -0.00 0.00 0.51 0.00 0.00 43.02 41.61 2bjh s PHE 225 CO 0.06 0.58 0.24 0.08 0.70 0.00 0.00 175.22 176.88 2bjh s VAL 226 N -1.33 5.13 -0.21 -0.44 1.01 0.25 -1.70 120.40 123.11 2bjh s VAL 226 Ca 0.28 -0.43 -0.02 0.00 0.00 0.00 0.00 61.98 61.81 2bjh s VAL 226 Cb -0.12 -3.72 0.01 0.00 0.00 0.00 0.00 36.38 32.55 2bjh s VAL 226 CO 0.19 -0.11 -0.10 0.00 0.00 0.00 0.00 175.10 175.09 2bjh s THR 228 N 1.39 1.07 0.00 0.00 -4.23 -0.09 -1.67 115.64 112.10 2bjh s THR 228 Ca 0.05 -2.02 0.00 0.00 -1.18 0.00 0.00 61.69 58.54 2bjh s THR 228 Cb -0.14 -1.80 0.00 0.00 1.34 0.00 0.00 72.50 71.90 2bjh s THR 228 CO -0.07 -0.76 0.00 0.61 -0.54 0.00 0.00 174.62 173.86 2bjh n GLY 229 N -0.13 -3.97 3.20 3.99 0.00 -1.26 -4.33 105.19 102.68 2bjh n GLY 229 Ca -0.11 -2.14 -0.39 0.00 0.00 0.00 0.00 46.02 43.38 2bjh n GLY 229 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2bjh s ASP 230 N -0.04 6.52 -0.28 1.61 1.11 -1.26 -4.99 116.67 119.34 2bjh s ASP 230 Ca 0.00 -3.70 -0.19 0.00 0.18 0.00 0.00 52.55 48.84 2bjh s ASP 230 Cb 0.00 -2.02 0.10 0.00 1.07 0.00 0.00 42.92 42.06 2bjh s ASP 230 CO 0.00 -0.22 0.80 -1.83 1.18 0.00 0.00 175.17 175.10 2bjh s GLU 231 N -1.35 0.64 -0.35 8.23 -1.05 -1.26 -5.10 118.70 118.45 2bjh s GLU 231 Ca 0.29 0.99 -0.32 0.00 -0.15 0.00 0.00 54.97 55.77 2bjh s GLU 231 Cb -0.08 0.19 -0.10 0.00 -0.44 0.00 0.00 34.13 33.70 2bjh s GLU 231 CO -0.11 -0.11 2.24 0.28 0.95 0.00 0.00 175.26 178.51 2bjh n VAL 232 N 3.63 0.20 -3.75 1.83 0.31 -1.26 -4.85 118.33 114.44 2bjh n VAL 232 Ca -0.18 -0.35 -0.09 0.00 -0.01 0.00 0.00 64.34 63.72 2bjh n VAL 232 Cb 0.58 -1.94 -0.00 0.00 -0.91 0.00 0.00 33.84 31.56 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 8.44 0.65 0.00 5.55 10.64 -1.26 -4.83 117.38 136.56 2bjh n GLN 233 Ca 0.39 -1.80 0.00 0.00 -1.83 0.00 0.00 57.00 53.76 2bjh n GLN 233 Cb 0.31 1.95 0.00 0.00 -0.86 0.00 0.00 30.24 31.63 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 0.45 0.00 -0.13 0.00 5.08 -1.70 -1.87 114.58 116.41 2bjh h GLU 236 Ca 0.12 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 2bjh h GLU 236 Cb 0.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.51 2bjh h GLU 236 CO -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 179.01 178.01 2bjh n ALA 237 N -1.79 2.44 0.84 3.43 0.00 -0.91 -4.36 120.51 120.16 2bjh n ALA 237 Ca -0.02 -0.77 0.12 0.00 0.00 0.00 0.00 53.44 52.78 2bjh n ALA 237 Cb 0.19 -0.70 0.28 0.00 0.00 0.00 0.00 19.45 19.22 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 1.18 0.11 -3.43 0.00 1.13 -0.70 -4.96 117.38 110.70 2bjh n GLN 238 Ca 0.13 0.04 -0.20 0.00 -1.94 0.00 0.00 57.00 55.03 2bjh n GLN 238 Cb 0.52 -1.57 0.07 0.00 0.11 0.00 0.00 30.24 29.37 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 1.44 -0.34 3.77 1.08 0.00 -1.26 -4.97 105.19 104.91 2bjh n GLY 239 Ca 0.05 0.12 -0.36 0.00 0.00 0.00 0.00 46.02 45.83 2bjh n GLY 239 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2bjh s GLY 240 N -3.35 2.70 0.00 -0.02 0.00 -1.23 -5.02 107.32 100.39 2bjh s GLY 240 Ca 0.47 0.86 0.00 0.00 0.00 0.00 0.00 44.72 46.04 2bjh s GLY 240 CO 0.63 1.26 0.00 -0.18 0.00 0.00 0.00 173.10 174.81 2bjh n GLN 241 N -0.86 0.00 -3.65 2.90 -0.06 -1.26 -4.28 117.38 110.17 2bjh n GLN 241 Ca 0.09 0.00 -0.02 0.00 -2.00 0.00 0.00 57.00 55.07 2bjh n GLN 241 Cb 0.50 0.00 -0.05 0.00 -4.06 0.00 0.00 30.24 26.63 2bjh n GLN 241 CO 0.00 0.00 0.00 0.20 -0.20 0.00 0.00 177.06 177.06 2bjh s GLY 242 N 0.00 -0.68 -0.98 1.69 0.00 -1.26 -4.32 107.32 101.77 2bjh s GLY 242 Ca 0.00 2.23 -0.05 0.00 0.00 0.00 0.00 44.72 46.91 2bjh s GLY 242 CO 0.00 2.95 0.87 -0.62 0.00 0.00 0.00 173.10 176.30 2bjh n VAL 243 N 5.40 -9.27 -3.63 1.40 0.31 -1.26 -4.96 118.33 106.32 2bjh n VAL 243 Ca -0.12 -1.14 -0.24 0.00 -0.01 0.00 0.00 64.34 62.83 2bjh n VAL 243 Cb 0.49 -6.56 0.01 0.00 -0.91 0.00 0.00 33.84 26.87 2bjh n VAL 243 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 2bjh s ASN 244 N -3.31 4.81 0.36 4.52 6.03 -1.26 -4.97 114.94 121.12 2bjh s ASN 244 Ca 0.37 -1.07 0.14 0.00 -1.03 0.00 0.00 52.86 51.28 2bjh s ASN 244 Cb -0.05 0.21 0.99 0.00 -3.03 0.00 0.00 41.25 39.38 2bjh s ASN 244 CO 0.73 -1.08 1.76 0.44 -2.03 0.00 0.00 177.10 176.92 2bjh h ASP 245 N 0.67 0.56 -0.50 3.54 3.45 -1.97 -0.79 116.42 121.37 2bjh h ASP 245 Ca -0.36 0.10 -0.04 0.00 0.43 0.00 0.00 57.03 57.16 2bjh h ASP 245 Cb 1.29 0.01 -0.03 0.00 -0.56 0.00 0.00 39.33 40.05 2bjh h ASP 245 CO 0.53 0.12 0.19 0.00 -1.57 0.00 0.00 179.24 178.51 2bjh h ALA 246 N 1.66 1.29 -0.34 3.45 0.00 -1.89 -2.97 119.26 120.45 2bjh h ALA 246 Ca 0.60 -0.17 -0.15 0.00 0.00 0.00 0.00 54.91 55.19 2bjh h ALA 246 Cb 1.33 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 2bjh h ALA 246 CO -0.36 0.51 -0.39 1.25 0.00 0.00 0.00 179.25 180.27 2bjh h HIS 247 N 0.80 0.98 -0.00 0.00 -0.00 -1.42 -3.19 115.15 112.33 2bjh h HIS 247 Ca 0.19 -0.29 0.00 0.00 -0.00 0.00 0.00 60.37 60.26 2bjh h HIS 247 Cb 0.21 -0.21 0.00 0.00 -0.00 0.00 0.00 27.41 27.41 2bjh h HIS 247 CO 0.01 1.08 -0.03 0.25 -0.00 0.00 0.00 177.93 179.24 2bjh n THR 248 N -4.05 0.00 -3.73 6.26 -2.24 -1.16 -4.65 114.28 104.72 2bjh n THR 248 Ca -0.02 -0.00 -0.30 0.00 -2.27 0.00 0.00 64.05 61.46 2bjh n THR 248 Cb 0.54 -0.45 -0.15 0.00 -2.10 0.00 0.00 70.33 68.16 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 -2.91 0.82 -0.21 4.28 2.01 -1.13 -0.75 115.64 117.75 2bjh s THR 249 Ca 0.17 -1.33 -0.07 0.00 0.31 0.00 0.00 61.69 60.77 2bjh s THR 249 Cb 0.19 -1.61 -0.03 0.00 0.01 0.00 0.00 72.50 71.06 2bjh s THR 249 CO 0.52 -0.65 0.05 -0.31 -0.69 0.00 0.00 174.62 173.54 2bjh s TYR 250 N 1.65 3.13 -1.30 4.92 1.51 -0.80 -4.49 117.35 121.96 2bjh s TYR 250 Ca 0.09 -0.22 -0.00 0.00 -1.01 0.00 0.00 57.07 55.92 2bjh s TYR 250 Cb -0.17 -2.14 0.00 0.00 -0.11 0.00 0.00 41.96 39.54 2bjh s TYR 250 CO -0.25 -0.13 0.72 1.19 -1.11 0.00 0.00 175.55 175.98 2bjh n PHE 251 N 4.23 -1.94 -1.15 2.71 3.01 -1.26 -1.29 117.46 121.77 2bjh n PHE 251 Ca -0.16 0.85 -0.05 0.00 1.01 0.00 0.00 57.45 59.09 2bjh n PHE 251 Cb 0.52 -4.43 -0.02 0.00 -0.01 0.00 0.00 39.48 35.54 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 -1.55 0.59 3.02 1.37 0.00 -1.26 -4.96 105.19 102.40 2bjh n GLY 252 Ca -0.29 -0.07 -0.31 0.00 0.00 0.00 0.00 46.02 45.34 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 -2.15 2.00 0.27 1.61 -1.94 -0.41 -4.95 119.30 113.72 2bjh s MET 253 Ca 0.00 -1.26 -0.25 0.00 -1.71 0.00 0.00 55.69 52.47 2bjh s MET 253 Cb 0.00 -2.80 -0.09 0.00 2.01 0.00 0.00 34.83 33.95 2bjh s MET 253 CO 0.00 -0.60 0.88 0.99 -0.01 0.00 0.00 175.02 176.28 2bjh s THR 254 N 1.19 4.28 0.23 2.05 2.01 -1.25 -1.91 115.64 122.24 2bjh s THR 254 Ca -0.07 1.74 -0.12 0.00 0.31 0.00 0.00 61.69 63.54 2bjh s THR 254 Cb -0.20 -4.04 0.30 0.00 0.01 0.00 0.00 72.50 68.57 2bjh s THR 254 CO -0.06 0.26 1.60 0.28 -0.69 0.00 0.00 174.62 176.01 2bjh h SER 255 N 3.51 -0.76 0.00 3.53 0.02 -1.21 -3.35 113.55 115.29 2bjh h SER 255 Ca -0.47 0.23 0.00 0.00 -0.84 0.00 0.00 61.79 60.71 2bjh h SER 255 Cb 1.19 0.49 0.00 0.00 0.14 0.00 0.00 62.40 64.22 2bjh h SER 255 CO 0.66 -0.26 0.00 0.61 -1.14 0.00 0.00 176.83 176.70 2bjh n GLY 256 N -1.49 -1.46 2.99 -3.77 0.00 -1.26 -4.54 105.19 95.65 2bjh n GLY 256 Ca 0.10 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.89 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 -1.69 -3.29 4.61 0.00 -1.26 -4.71 120.51 111.18 2bjh n ALA 257 Ca 0.00 -0.96 -0.25 0.00 0.00 0.00 0.00 53.44 52.23 2bjh n ALA 257 Cb 0.00 -0.75 -0.08 0.00 0.00 0.00 0.00 19.45 18.63 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 2.55 0.08 -0.00 0.00 1.35 -1.92 -3.50 112.91 111.47 2bjh h THR 259 Ca 0.13 -0.50 0.00 0.00 -0.55 0.00 0.00 66.41 65.49 2bjh h THR 259 Cb 0.80 1.46 0.00 0.00 -1.73 0.00 0.00 68.15 68.67 2bjh h THR 259 CO 0.60 0.02 0.00 -2.67 -0.25 0.00 0.00 175.52 173.23