#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3b3s s PRO 2 N 0.00 3.76 0.82 0.03 0.04 -1.26 -5.03 135.00 133.36 3b3s s PRO 2 Ca 0.00 0.81 -0.12 0.00 0.04 0.00 0.00 61.00 61.73 3b3s s PRO 2 Cb 0.00 -2.13 0.09 0.00 0.04 0.00 0.00 34.50 32.50 3b3s s PRO 2 CO 0.00 -0.40 1.16 -1.25 0.04 0.00 0.00 177.00 176.54 3b3s s PRO 3 N -4.62 1.65 -0.23 0.56 0.04 -1.26 -4.94 135.00 126.21 3b3s s PRO 3 Ca 0.56 1.55 -0.28 0.00 0.04 0.00 0.00 61.00 62.87 3b3s s PRO 3 Cb -0.10 -1.80 0.01 0.00 0.04 0.00 0.00 34.50 32.64 3b3s s PRO 3 CO 0.43 -2.16 1.01 0.42 0.04 0.00 0.00 177.00 176.74 3b3s s ILE 4 N -2.47 4.70 0.00 0.56 1.01 -1.26 -4.84 121.20 118.90 3b3s s ILE 4 Ca 0.68 1.97 0.00 0.00 0.00 0.00 0.00 60.65 63.31 3b3s s ILE 4 Cb -0.24 -4.29 0.00 0.00 0.01 0.00 0.00 42.46 37.95 3b3s s ILE 4 CO 0.53 -0.16 0.04 0.35 0.00 0.00 0.00 174.94 175.70 3b3s n THR 5 N 5.28 0.00 -1.42 2.92 -2.24 -1.26 -4.85 114.28 112.70 3b3s n THR 5 Ca 0.11 -0.07 -0.24 0.00 -2.27 0.00 0.00 64.05 61.58 3b3s n THR 5 Cb 0.46 1.56 0.12 0.00 -2.10 0.00 0.00 70.33 70.38 3b3s n THR 5 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3b3s n GLN 6 N -0.05 2.53 -0.28 -0.78 1.13 -1.26 -4.74 117.38 113.93 3b3s n GLN 6 Ca 0.00 -3.32 0.06 0.00 -1.94 0.00 0.00 57.00 51.81 3b3s n GLN 6 Cb 0.14 -2.17 0.29 0.00 0.11 0.00 0.00 30.24 28.61 3b3s n GLN 6 CO 0.00 0.00 0.00 1.96 -1.44 0.00 0.00 177.06 177.58 3b3s h GLN 7 N 1.55 0.88 -0.36 -1.09 7.50 -1.99 0.09 115.11 121.70 3b3s h GLN 7 Ca 0.51 -0.05 -0.02 0.00 0.50 0.00 0.00 58.65 59.59 3b3s h GLN 7 Cb 1.66 -0.20 -0.02 0.00 0.05 0.00 0.00 27.48 28.97 3b3s h GLN 7 CO 1.11 0.59 0.16 0.00 -1.50 0.00 0.00 178.83 179.19 3b3s h ALA 8 N 1.55 0.46 -0.06 3.87 0.00 -1.99 -0.01 119.26 123.07 3b3s h ALA 8 Ca 0.40 -0.12 -0.10 0.00 0.00 0.00 0.00 54.91 55.09 3b3s h ALA 8 Cb 0.34 -0.14 0.01 0.00 0.00 0.00 0.00 17.79 17.99 3b3s h ALA 8 CO -0.16 0.04 -0.36 1.15 0.00 0.00 0.00 179.25 179.92 3b3s h THR 9 N 0.43 1.42 -0.27 0.00 2.02 -1.65 -2.18 112.91 112.70 3b3s h THR 9 Ca 0.12 -1.78 0.02 0.00 0.77 0.00 0.00 66.41 65.54 3b3s h THR 9 Cb 0.15 2.35 -0.02 0.00 -1.74 0.00 0.00 68.15 68.89 3b3s h THR 9 CO -0.01 0.51 0.13 0.58 0.37 0.00 0.00 175.52 177.10 3b3s h VAL 10 N -0.13 1.00 0.00 3.16 2.07 -0.97 -0.14 116.25 121.23 3b3s h VAL 10 Ca -0.03 -0.10 -0.05 0.00 0.82 0.00 0.00 66.70 67.34 3b3s h VAL 10 Cb 1.02 0.69 -0.01 0.00 -1.52 0.00 0.00 31.29 31.47 3b3s h VAL 10 CO 0.07 0.05 -0.26 0.71 0.02 0.00 0.00 177.57 178.17 3b3s h THR 11 N 0.28 0.83 -0.04 2.57 1.35 -1.02 0.04 112.91 116.93 3b3s h THR 11 Ca 0.11 -1.02 -0.24 0.00 -0.55 0.00 0.00 66.41 64.71 3b3s h THR 11 Cb 0.03 1.61 0.01 0.00 -1.73 0.00 0.00 68.15 68.07 3b3s h THR 11 CO -0.07 0.25 -0.93 0.00 -0.25 0.00 0.00 175.52 174.52 3b3s h ALA 12 N 1.74 0.28 0.00 6.62 0.00 -0.77 -3.38 119.26 123.76 3b3s h ALA 12 Ca -0.00 -0.67 -0.31 0.00 0.00 0.00 0.00 54.91 53.93 3b3s h ALA 12 Cb 0.59 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.34 3b3s h ALA 12 CO 0.03 0.73 -1.82 0.91 0.00 0.00 0.00 179.25 179.11 3b3s n TRP 13 N -3.83 0.86 -0.28 0.00 8.01 -0.12 -4.24 117.44 117.84 3b3s n TRP 13 Ca -0.08 0.31 0.06 0.00 -1.31 0.00 0.00 57.50 56.47 3b3s n TRP 13 Cb 0.83 -1.16 0.20 0.00 -2.01 0.00 0.00 31.31 29.17 3b3s n TRP 13 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.69 176.61 3b3s h LEU 14 N 0.00 0.45 -1.27 -0.99 4.07 -1.17 -0.13 115.31 116.28 3b3s h LEU 14 Ca -0.33 0.09 0.00 0.00 0.08 0.00 0.00 57.88 57.72 3b3s h LEU 14 Cb 2.05 0.02 0.00 0.00 1.08 0.00 0.00 40.66 43.81 3b3s h LEU 14 CO 0.07 0.20 0.00 -0.65 -1.08 0.00 0.00 178.44 176.98 3b3s h PRO 15 N 0.57 0.00 0.00 1.13 0.11 -1.76 -2.00 132.00 130.06 3b3s h PRO 15 Ca 0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.54 3b3s h PRO 15 Cb 0.60 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.71 3b3s h PRO 15 CO -0.36 0.00 0.00 1.04 -0.21 0.00 0.00 178.00 178.47 3b3s n GLN 16 N -2.39 0.19 -1.87 1.05 6.02 -0.06 -4.80 117.38 115.52 3b3s n GLN 16 Ca 0.00 0.26 -0.42 0.00 -0.01 0.00 0.00 57.00 56.83 3b3s n GLN 16 Cb 0.14 -1.77 -0.02 0.00 1.02 0.00 0.00 30.24 29.61 3b3s n GLN 16 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 3b3s s VAL 17 N -3.15 2.34 -0.23 5.09 1.01 -0.75 -4.96 120.40 119.74 3b3s s VAL 17 Ca 0.09 0.27 0.02 0.00 0.00 0.00 0.00 61.98 62.35 3b3s s VAL 17 Cb 0.12 -3.17 0.05 0.00 0.00 0.00 0.00 36.38 33.38 3b3s s VAL 17 CO 0.50 0.03 -0.10 -0.62 0.00 0.00 0.00 175.10 174.91 3b3s s ASP 18 N 0.73 3.90 0.54 3.32 -1.08 -1.26 -4.99 116.67 117.83 3b3s s ASP 18 Ca 0.66 -1.14 0.22 0.00 -0.52 0.00 0.00 52.55 51.76 3b3s s ASP 18 Cb -0.46 -1.35 1.49 0.00 -1.46 0.00 0.00 42.92 41.15 3b3s s ASP 18 CO 0.40 -0.18 2.18 0.00 0.52 0.00 0.00 175.17 178.09 3b3s h ALA 19 N 7.89 1.74 -0.36 3.66 0.00 -1.88 -1.27 119.26 129.04 3b3s h ALA 19 Ca -0.23 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.60 3b3s h ALA 19 Cb 1.07 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.84 3b3s h ALA 19 CO 0.46 0.03 -0.06 0.77 0.00 0.00 0.00 179.25 180.45 3b3s h SER 20 N 0.00 0.56 -0.28 0.00 0.02 -1.94 -0.21 113.55 111.69 3b3s h SER 20 Ca -0.00 -0.13 -0.08 0.00 -0.84 0.00 0.00 61.79 60.74 3b3s h SER 20 Cb 0.04 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.43 3b3s h SER 20 CO 0.00 0.68 -0.12 1.56 -1.14 0.00 0.00 176.83 177.81 3b3s h GLN 21 N 0.55 0.58 0.03 3.45 1.08 -1.67 -0.61 115.11 118.52 3b3s h GLN 21 Ca 0.11 -0.25 0.01 0.00 -1.45 0.00 0.00 58.65 57.07 3b3s h GLN 21 Cb 0.44 -0.02 -0.02 0.00 -0.05 0.00 0.00 27.48 27.83 3b3s h GLN 21 CO 0.02 0.81 -0.11 0.82 -0.95 0.00 0.00 178.83 179.42 3b3s h ILE 22 N 0.33 0.72 0.00 2.54 2.04 -1.18 -1.34 117.51 120.63 3b3s h ILE 22 Ca 0.07 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.88 3b3s h ILE 22 Cb 0.63 0.72 -0.01 0.00 -0.74 0.00 0.00 36.82 37.42 3b3s h ILE 22 CO 0.04 0.00 -0.23 0.71 0.00 0.00 0.00 178.15 178.66 3b3s h THR 23 N -0.21 0.74 -0.48 -0.27 1.35 -1.04 -1.17 112.91 111.83 3b3s h THR 23 Ca 0.03 -0.98 -0.02 0.00 -0.55 0.00 0.00 66.41 64.89 3b3s h THR 23 Cb 0.25 1.61 -0.02 0.00 -1.73 0.00 0.00 68.15 68.26 3b3s h THR 23 CO -0.09 0.23 0.23 1.23 -0.25 0.00 0.00 175.52 176.87 3b3s h GLY 24 N 1.42 0.73 0.90 5.82 0.00 -0.76 -0.83 103.07 110.35 3b3s h GLY 24 Ca -0.00 -0.36 -0.05 0.00 0.00 0.00 0.00 47.33 46.92 3b3s h GLY 24 CO 0.03 0.34 0.01 -0.84 0.00 0.00 0.00 176.54 176.08 3b3s h THR 25 N 0.63 1.25 -0.12 4.70 2.02 -0.66 -1.82 112.91 118.90 3b3s h THR 25 Ca 0.16 -0.94 0.00 0.00 0.77 0.00 0.00 66.41 66.41 3b3s h THR 25 Cb 0.11 1.22 -0.01 0.00 -1.74 0.00 0.00 68.15 67.74 3b3s h THR 25 CO -0.02 0.31 0.08 0.40 0.37 0.00 0.00 175.52 176.66 3b3s h ILE 26 N 0.38 1.03 -0.87 3.11 2.04 -1.14 -0.22 117.51 121.84 3b3s h ILE 26 Ca 0.09 -0.06 0.09 0.00 1.00 0.00 0.00 64.86 65.98 3b3s h ILE 26 Cb 0.43 0.85 -0.07 0.00 -0.74 0.00 0.00 36.82 37.29 3b3s h ILE 26 CO 0.02 0.03 0.52 -1.28 0.00 0.00 0.00 178.15 177.44 3b3s h SER 27 N 0.17 0.78 0.13 1.72 0.87 -1.09 -0.08 113.55 116.05 3b3s h SER 27 Ca 0.05 0.04 -0.01 0.00 -1.23 0.00 0.00 61.79 60.64 3b3s h SER 27 Cb -0.02 -0.12 0.00 0.00 -0.44 0.00 0.00 62.40 61.82 3b3s h SER 27 CO -0.01 0.46 -0.06 -1.28 -0.53 0.00 0.00 176.83 175.41 3b3s h SER 28 N 0.90 -0.15 -0.70 6.23 0.87 -0.99 -2.98 113.55 116.73 3b3s h SER 28 Ca 0.41 -0.04 -0.07 0.00 -1.23 0.00 0.00 61.79 60.86 3b3s h SER 28 Cb 0.31 0.04 -0.03 0.00 -0.44 0.00 0.00 62.40 62.28 3b3s h SER 28 CO -0.22 -0.06 0.18 -0.07 -0.53 0.00 0.00 176.83 176.13 3b3s h LEU 29 N -0.23 1.05 -0.11 2.23 3.38 -0.41 -2.37 115.31 118.85 3b3s h LEU 29 Ca -0.02 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 57.72 3b3s h LEU 29 Cb 0.18 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.65 3b3s h LEU 29 CO 0.03 1.00 0.00 -1.84 0.09 0.00 0.00 178.44 177.72 3b3s n GLU 30 N -4.27 0.03 0.21 1.13 0.28 -0.10 -2.35 120.64 115.57 3b3s n GLU 30 Ca 0.05 0.28 0.09 0.00 -0.16 0.00 0.00 57.16 57.43 3b3s n GLU 30 Cb 0.25 -1.56 0.35 0.00 1.43 0.00 0.00 31.44 31.91 3b3s n GLU 30 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 177.13 177.74 3b3s h SER 31 N 0.00 0.00 -3.67 -1.84 0.02 -1.26 -3.43 113.55 103.37 3b3s h SER 31 Ca 0.00 0.00 -0.53 0.00 -0.84 0.00 0.00 61.79 60.42 3b3s h SER 31 Cb 0.26 0.00 0.09 0.00 0.14 0.00 0.00 62.40 62.89 3b3s h SER 31 CO 0.00 0.24 0.81 -0.36 -1.14 0.00 0.00 176.83 176.38 3b3s s PHE 32 N -3.45 2.70 0.20 3.45 0.08 -0.99 -4.88 117.98 115.08 3b3s s PHE 32 Ca 0.02 1.02 -0.11 0.00 0.12 0.00 0.00 56.93 57.98 3b3s s PHE 32 Cb 0.09 -4.01 0.22 0.00 -0.57 0.00 0.00 43.02 38.74 3b3s s PHE 32 CO 0.66 -3.15 1.76 1.15 -0.10 0.00 0.00 175.22 175.54 3b3s h THR 33 N 3.17 0.84 -3.55 0.64 2.02 -1.89 -3.44 112.91 110.70 3b3s h THR 33 Ca -0.49 -0.15 -0.04 0.00 0.77 0.00 0.00 66.41 66.50 3b3s h THR 33 Cb 1.23 0.37 -0.09 0.00 -1.74 0.00 0.00 68.15 67.92 3b3s h THR 33 CO 0.71 0.08 -0.07 0.54 0.37 0.00 0.00 175.52 177.15 3b3s s ASN 34 N -5.43 -0.12 -0.26 4.18 2.20 -1.26 -0.94 114.94 113.32 3b3s s ASN 34 Ca -0.13 -0.86 0.10 0.00 -0.94 0.00 0.00 52.86 51.03 3b3s s ASN 34 Cb 0.16 0.60 0.46 0.00 -2.00 0.00 0.00 41.25 40.46 3b3s s ASN 34 CO 0.74 -1.16 1.19 0.54 -2.94 0.00 0.00 177.10 175.46 3b3s n ARG 35 N -0.39 2.84 -2.26 3.55 1.74 -1.26 -3.64 116.66 117.24 3b3s n ARG 35 Ca -0.02 -3.83 -0.35 0.00 -0.77 0.00 0.00 57.85 52.88 3b3s n ARG 35 Cb 0.62 -1.98 -0.00 0.00 -1.02 0.00 0.00 32.46 30.07 3b3s n ARG 35 CO 0.00 0.00 0.00 0.12 -1.52 0.00 0.00 177.63 176.23 3b3s s PHE 36 N -3.41 2.74 0.50 -1.55 5.36 -1.22 -2.30 117.98 118.08 3b3s s PHE 36 Ca 0.45 1.55 0.22 0.00 -0.96 0.00 0.00 56.93 58.19 3b3s s PHE 36 Cb 0.39 -3.23 1.41 0.00 -0.34 0.00 0.00 43.02 41.25 3b3s s PHE 36 CO -0.00 -1.43 2.12 0.10 -1.46 0.00 0.00 175.22 174.55 3b3s h TYR 37 N 1.15 0.00 -0.39 10.12 -0.00 -1.92 -2.40 116.97 123.52 3b3s h TYR 37 Ca -0.50 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.23 3b3s h TYR 37 Cb 1.25 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.98 3b3s h TYR 37 CO 0.53 0.08 0.00 0.25 -0.00 0.00 0.00 178.16 179.02 3b3s n THR 38 N -4.05 0.65 -3.95 -0.90 -2.24 -1.26 -3.00 114.28 99.52 3b3s n THR 38 Ca -0.03 -0.83 -0.21 0.00 -2.27 0.00 0.00 64.05 60.72 3b3s n THR 38 Cb 0.17 0.81 -0.03 0.00 -2.10 0.00 0.00 70.33 69.18 3b3s n THR 38 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3b3s s THR 39 N -1.20 4.75 0.21 4.28 -4.23 -0.90 -4.91 115.64 113.64 3b3s s THR 39 Ca 0.33 -1.15 -0.09 0.00 -1.18 0.00 0.00 61.69 59.59 3b3s s THR 39 Cb 0.19 -3.62 0.15 0.00 1.34 0.00 0.00 72.50 70.56 3b3s s THR 39 CO 0.25 -0.31 1.83 0.74 -0.54 0.00 0.00 174.62 176.59 3b3s h THR 40 N 1.25 1.03 -0.14 3.99 2.02 -1.92 -1.92 112.91 117.21 3b3s h THR 40 Ca -0.50 -0.27 -0.12 0.00 0.77 0.00 0.00 66.41 66.29 3b3s h THR 40 Cb 1.24 0.18 -0.01 0.00 -1.74 0.00 0.00 68.15 67.82 3b3s h THR 40 CO 0.60 0.14 -0.44 0.77 0.37 0.00 0.00 175.52 176.96 3b3s h SER 41 N 0.78 0.36 -0.44 4.18 4.64 -1.90 -0.51 113.55 120.66 3b3s h SER 41 Ca 0.30 -0.16 -0.03 0.00 -0.47 0.00 0.00 61.79 61.43 3b3s h SER 41 Cb 0.11 -0.10 -0.02 0.00 -0.31 0.00 0.00 62.40 62.08 3b3s h SER 41 CO -0.15 0.76 0.19 1.23 -0.87 0.00 0.00 176.83 177.99 3b3s h GLY 42 N 1.21 0.75 1.05 -0.77 0.00 -1.45 0.17 103.07 104.04 3b3s h GLY 42 Ca 0.02 -0.37 -0.19 0.00 0.00 0.00 0.00 47.33 46.79 3b3s h GLY 42 CO 0.07 0.35 -0.68 0.00 0.00 0.00 0.00 176.54 176.28 3b3s h ALA 43 N 1.52 0.25 -0.39 3.60 0.00 -0.98 -3.16 119.26 120.09 3b3s h ALA 43 Ca 0.17 -0.57 -0.03 0.00 0.00 0.00 0.00 54.91 54.48 3b3s h ALA 43 Cb 0.15 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 3b3s h ALA 43 CO -0.02 0.56 0.13 1.96 0.00 0.00 0.00 179.25 181.88 3b3s h GLN 44 N 0.35 0.55 -0.57 0.00 4.20 -0.87 -2.17 115.11 116.61 3b3s h GLN 44 Ca -0.05 -0.08 0.04 0.00 0.06 0.00 0.00 58.65 58.62 3b3s h GLN 44 Cb 1.32 -0.10 -0.04 0.00 0.30 0.00 0.00 27.48 28.96 3b3s h GLN 44 CO 0.14 0.48 0.32 0.00 -0.67 0.00 0.00 178.83 179.10 3b3s h ALA 45 N 1.60 0.73 -0.25 3.87 0.00 -0.96 0.16 119.26 124.43 3b3s h ALA 45 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.05 3b3s h ALA 45 Cb 0.15 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 3b3s h ALA 45 CO -0.01 0.01 0.16 1.03 0.00 0.00 0.00 179.25 180.44 3b3s h SER 46 N 0.62 0.27 -0.99 0.00 0.87 -1.37 -0.99 113.55 111.96 3b3s h SER 46 Ca 0.24 -0.01 0.07 0.00 -1.23 0.00 0.00 61.79 60.86 3b3s h SER 46 Cb 0.09 -0.06 -0.07 0.00 -0.44 0.00 0.00 62.40 61.92 3b3s h SER 46 CO -0.13 0.20 0.64 0.44 -0.53 0.00 0.00 176.83 177.44 3b3s h ASP 47 N 0.32 1.02 -0.42 6.23 3.32 -1.03 -0.77 116.42 125.09 3b3s h ASP 47 Ca 0.09 0.01 -0.03 0.00 0.02 0.00 0.00 57.03 57.13 3b3s h ASP 47 Cb -0.03 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.30 3b3s h ASP 47 CO -0.03 0.65 0.16 -0.25 -1.72 0.00 0.00 179.24 178.05 3b3s h TRP 48 N 1.15 0.66 -0.49 4.55 7.01 -0.13 -0.49 115.95 128.22 3b3s h TRP 48 Ca 0.43 -0.05 -0.06 0.00 2.11 0.00 0.00 58.89 61.31 3b3s h TRP 48 Cb 0.18 -0.19 -0.02 0.00 -2.10 0.00 0.00 29.16 27.03 3b3s h TRP 48 CO -0.00 0.58 0.05 0.82 -2.79 0.00 0.00 178.44 177.10 3b3s h ILE 49 N 0.54 1.25 -0.99 2.65 2.04 -0.82 -0.00 117.51 122.19 3b3s h ILE 49 Ca 0.14 -0.98 0.02 0.00 1.00 0.00 0.00 64.86 65.04 3b3s h ILE 49 Cb 0.21 0.94 -0.05 0.00 -0.74 0.00 0.00 36.82 37.18 3b3s h ILE 49 CO -0.01 0.34 0.65 0.00 0.00 0.00 0.00 178.15 179.14 3b3s h ALA 50 N 0.95 1.27 -0.57 1.87 0.00 -0.95 0.72 119.26 122.55 3b3s h ALA 50 Ca 0.14 -0.06 -0.10 0.00 0.00 0.00 0.00 54.91 54.90 3b3s h ALA 50 Cb 0.44 -0.38 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 3b3s h ALA 50 CO 0.01 0.61 -0.03 1.03 0.00 0.00 0.00 179.25 180.88 3b3s h SER 51 N 1.31 1.00 -0.25 0.00 0.87 -0.72 0.98 113.55 116.74 3b3s h SER 51 Ca 0.37 -0.32 -0.00 0.00 -1.23 0.00 0.00 61.79 60.61 3b3s h SER 51 Cb -0.11 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 61.57 3b3s h SER 51 CO -0.09 1.08 0.14 -0.33 -0.53 0.00 0.00 176.83 177.10 3b3s h GLU 52 N 0.90 0.35 -0.29 2.24 4.39 -0.37 -1.77 114.58 120.02 3b3s h GLU 52 Ca 0.16 -0.04 -0.14 0.00 0.34 0.00 0.00 59.36 59.68 3b3s h GLU 52 Cb 0.58 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 29.15 3b3s h GLU 52 CO 0.03 0.29 -0.38 -1.49 -1.16 0.00 0.00 179.01 176.31 3b3s h TRP 53 N 0.30 0.80 -0.58 4.33 4.06 -0.70 -2.12 115.95 122.04 3b3s h TRP 53 Ca 0.09 -0.23 0.03 0.00 2.06 0.00 0.00 58.89 60.84 3b3s h TRP 53 Cb 0.04 -0.17 -0.04 0.00 -1.00 0.00 0.00 29.16 27.99 3b3s h TRP 53 CO -0.04 0.95 0.34 0.37 -3.56 0.00 0.00 178.44 176.51 3b3s h GLN 54 N 0.56 0.65 0.18 0.49 5.75 -0.69 -2.17 115.11 119.88 3b3s h GLN 54 Ca 0.05 -0.04 -0.01 0.00 -0.15 0.00 0.00 58.65 58.50 3b3s h GLN 54 Cb 0.90 -0.15 0.00 0.00 1.07 0.00 0.00 27.48 29.31 3b3s h GLN 54 CO 0.08 0.43 -0.09 0.00 -2.65 0.00 0.00 178.83 176.61 3b3s h ALA 55 N 1.27 -0.24 -1.00 3.38 0.00 -1.11 -1.83 119.26 119.73 3b3s h ALA 55 Ca 0.24 -0.14 0.21 0.00 0.00 0.00 0.00 54.91 55.22 3b3s h ALA 55 Cb 0.05 0.09 -0.10 0.00 0.00 0.00 0.00 17.79 17.83 3b3s h ALA 55 CO -0.11 -0.53 0.62 -0.07 0.00 0.00 0.00 179.25 179.16 3b3s h LEU 56 N -0.47 0.69 -2.89 0.00 3.38 -1.29 -2.48 115.31 112.26 3b3s h LEU 56 Ca -0.02 0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.04 3b3s h LEU 56 Cb 0.36 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.08 3b3s h LEU 56 CO 0.04 0.22 0.00 -1.54 0.09 0.00 0.00 178.44 177.25 3b3s n SER 57 N -4.73 3.56 -0.22 -0.43 3.41 -0.83 -4.66 113.62 109.72 3b3s n SER 57 Ca 0.24 -2.11 -0.02 0.00 -0.26 0.00 0.00 58.87 56.71 3b3s n SER 57 Cb 0.65 -0.38 0.18 0.00 -0.26 0.00 0.00 64.21 64.40 3b3s n SER 57 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3b3s h ALA 58 N 3.04 1.29 -0.72 7.33 0.00 -0.84 -1.28 119.26 128.07 3b3s h ALA 58 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.78 3b3s h ALA 58 Cb 0.95 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.45 3b3s h ALA 58 CO 0.04 0.56 0.00 -1.13 0.00 0.00 0.00 179.25 178.72 3b3s n SER 59 N -4.34 4.11 -4.60 0.00 3.41 -1.26 -4.89 113.62 106.05 3b3s n SER 59 Ca 0.07 -2.09 -0.41 0.00 -0.26 0.00 0.00 58.87 56.19 3b3s n SER 59 Cb 0.12 -0.51 -0.07 0.00 -0.26 0.00 0.00 64.21 63.49 3b3s n SER 59 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 3b3s s LEU 60 N -1.16 4.14 0.41 1.04 2.96 -0.48 -5.03 118.68 120.56 3b3s s LEU 60 Ca 0.50 0.37 -0.26 0.00 -0.22 0.00 0.00 54.13 54.52 3b3s s LEU 60 Cb 0.27 -2.70 -0.10 0.00 0.50 0.00 0.00 46.19 44.16 3b3s s LEU 60 CO 0.32 -0.40 1.36 -2.65 -1.32 0.00 0.00 176.35 173.66 3b3s n PRO 61 N 5.71 2.19 -1.61 0.98 -0.02 -1.26 -3.15 135.00 137.84 3b3s n PRO 61 Ca -0.03 0.77 -0.08 0.00 -2.02 0.00 0.00 63.50 62.15 3b3s n PRO 61 Cb 0.49 -2.49 -0.02 0.00 -0.02 0.00 0.00 33.50 31.46 3b3s n PRO 61 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3b3s n ASN 62 N 0.24 -3.43 -4.45 2.55 3.02 -1.26 -4.81 115.26 107.13 3b3s n ASN 62 Ca 0.05 0.10 -0.31 0.00 -0.03 0.00 0.00 54.58 54.39 3b3s n ASN 62 Cb 0.39 -2.08 -0.13 0.00 -0.61 0.00 0.00 39.78 37.35 3b3s n ASN 62 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3b3s s ALA 63 N -2.32 2.56 0.10 5.41 0.00 -1.19 -1.12 121.76 125.20 3b3s s ALA 63 Ca 0.00 -1.14 -0.11 0.00 0.00 0.00 0.00 51.96 50.71 3b3s s ALA 63 Cb 0.00 -0.77 0.01 0.00 0.00 0.00 0.00 23.12 22.37 3b3s s ALA 63 CO 0.00 0.56 0.27 -1.54 0.00 0.00 0.00 175.76 175.05 3b3s s SER 64 N -1.20 -0.01 -0.08 0.00 1.04 -0.40 -4.98 113.70 108.07 3b3s s SER 64 Ca 0.13 -0.52 0.03 0.00 0.48 0.00 0.00 55.95 56.08 3b3s s SER 64 Cb -0.10 0.39 0.00 0.00 0.10 0.00 0.00 66.02 66.41 3b3s s SER 64 CO 0.04 -0.77 -0.18 -0.69 0.98 0.00 0.00 173.24 172.62 3b3s s VAL 65 N -3.78 1.61 0.09 5.02 1.01 -1.26 -0.74 120.40 122.34 3b3s s VAL 65 Ca 0.04 -0.76 0.00 0.00 0.00 0.00 0.00 61.98 61.26 3b3s s VAL 65 Cb 0.04 -1.41 -0.04 0.00 0.00 0.00 0.00 36.38 34.96 3b3s s VAL 65 CO -0.11 0.46 -0.04 -0.54 0.00 0.00 0.00 175.10 174.87 3b3s s LYS 66 N 0.42 0.77 -0.12 2.72 1.02 0.10 -5.00 119.74 119.64 3b3s s LYS 66 Ca -0.15 -1.31 0.03 0.00 0.02 0.00 0.00 55.97 54.56 3b3s s LYS 66 Cb -0.16 -0.01 0.01 0.00 -0.52 0.00 0.00 37.83 37.15 3b3s s LYS 66 CO 0.06 -0.08 -0.22 -0.65 -0.92 0.00 0.00 175.35 173.54 3b3s s GLN 67 N -3.89 2.95 -0.22 1.68 -0.21 -1.26 -0.62 119.66 118.09 3b3s s GLN 67 Ca 0.12 -0.84 -0.11 0.00 0.02 0.00 0.00 55.36 54.55 3b3s s GLN 67 Cb 0.07 -2.34 -0.05 0.00 1.00 0.00 0.00 33.01 31.69 3b3s s GLN 67 CO -0.06 0.04 0.18 0.08 -2.12 0.00 0.00 175.29 173.41 3b3s s VAL 68 N 0.68 5.36 0.49 1.09 1.01 0.11 -4.91 120.40 124.23 3b3s s VAL 68 Ca -0.11 0.24 -0.17 0.00 0.00 0.00 0.00 61.98 61.94 3b3s s VAL 68 Cb -0.16 -3.52 -0.09 0.00 0.00 0.00 0.00 36.38 32.61 3b3s s VAL 68 CO 0.01 0.36 0.98 -0.44 0.00 0.00 0.00 175.10 176.01 3b3s s SER 69 N 0.87 6.69 0.05 3.32 0.01 -1.26 -1.76 113.70 121.61 3b3s s SER 69 Ca 0.09 1.59 0.04 0.00 1.31 0.00 0.00 55.95 58.98 3b3s s SER 69 Cb -0.13 -2.51 -0.02 0.00 0.21 0.00 0.00 66.02 63.56 3b3s s SER 69 CO 0.03 -0.54 -0.12 -1.00 0.41 0.00 0.00 173.24 172.03 3b3s s HIS 70 N -2.53 1.00 0.19 2.43 3.76 -1.26 -4.97 115.29 113.91 3b3s s HIS 70 Ca 0.59 -0.40 -0.30 0.00 -0.15 0.00 0.00 55.06 54.80 3b3s s HIS 70 Cb -0.10 -0.59 -0.08 0.00 1.11 0.00 0.00 32.58 32.92 3b3s s HIS 70 CO 0.27 0.01 1.27 -1.12 -0.85 0.00 0.00 174.74 174.32 3b3s s SER 71 N -1.36 6.97 0.00 1.40 0.01 -1.26 -3.85 113.70 115.60 3b3s s SER 71 Ca -0.03 2.33 0.00 0.00 1.31 0.00 0.00 55.95 59.56 3b3s s SER 71 Cb -0.09 -2.61 0.00 0.00 0.21 0.00 0.00 66.02 63.54 3b3s s SER 71 CO 0.01 -0.47 0.00 0.61 0.41 0.00 0.00 173.24 173.80 3b3s n GLY 72 N 2.34 0.80 3.43 3.44 0.00 -1.26 -5.02 105.19 108.92 3b3s n GLY 72 Ca 0.06 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.98 3b3s n GLY 72 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3b3s s TYR 73 N -2.34 -0.10 -0.53 1.61 1.13 -1.25 -5.07 117.35 110.82 3b3s s TYR 73 Ca 0.00 -0.24 0.23 0.00 -1.41 0.00 0.00 57.07 55.65 3b3s s TYR 73 Cb 0.00 0.30 0.03 0.00 -1.10 0.00 0.00 41.96 41.19 3b3s s TYR 73 CO 0.00 -0.82 1.01 0.09 -2.51 0.00 0.00 175.55 173.31 3b3s n ASN 74 N -0.29 0.60 -4.72 -0.18 3.02 -1.25 -4.53 115.26 107.91 3b3s n ASN 74 Ca -0.12 -0.11 -0.42 0.00 -0.03 0.00 0.00 54.58 53.90 3b3s n ASN 74 Cb 0.63 0.80 -0.03 0.00 -0.61 0.00 0.00 39.78 40.57 3b3s n ASN 74 CO 0.00 0.00 0.00 -1.58 -2.62 0.00 0.00 177.26 173.06 3b3s s GLN 75 N -3.24 4.43 0.01 3.52 0.74 -1.16 -4.85 119.66 119.11 3b3s s GLN 75 Ca 0.02 1.86 0.00 0.00 0.05 0.00 0.00 55.36 57.30 3b3s s GLN 75 Cb 0.14 -3.29 -0.04 0.00 1.10 0.00 0.00 33.01 30.92 3b3s s GLN 75 CO 0.80 -0.23 0.07 0.15 -0.55 0.00 0.00 175.29 175.53 3b3s s LYS 76 N 0.61 3.00 0.40 1.67 1.02 -1.26 -4.57 119.74 120.61 3b3s s LYS 76 Ca 0.58 -0.53 -0.23 0.00 0.02 0.00 0.00 55.97 55.81 3b3s s LYS 76 Cb -0.32 -2.81 -0.10 0.00 -0.52 0.00 0.00 37.83 34.08 3b3s s LYS 76 CO 0.32 0.63 0.98 -1.12 -0.92 0.00 0.00 175.35 175.24 3b3s s SER 77 N -1.78 6.95 -0.11 2.83 0.01 -0.72 -4.48 113.70 116.40 3b3s s SER 77 Ca 0.23 1.82 -0.03 0.00 1.31 0.00 0.00 55.95 59.28 3b3s s SER 77 Cb -0.12 -2.56 -0.03 0.00 0.21 0.00 0.00 66.02 63.52 3b3s s SER 77 CO 0.14 -0.35 -0.01 -0.69 0.41 0.00 0.00 173.24 172.74 3b3s s VAL 78 N -1.91 4.22 -0.06 3.43 1.01 0.17 0.04 120.40 127.30 3b3s s VAL 78 Ca 0.59 -0.27 0.00 0.00 0.00 0.00 0.00 61.98 62.30 3b3s s VAL 78 Cb -0.15 -2.80 0.02 0.00 0.00 0.00 0.00 36.38 33.45 3b3s s VAL 78 CO 0.19 0.56 -0.03 -0.69 0.00 0.00 0.00 175.10 175.13 3b3s s VAL 79 N -0.45 0.53 -0.13 2.92 1.01 0.21 -0.35 120.40 124.14 3b3s s VAL 79 Ca 0.08 -0.05 -0.04 0.00 0.00 0.00 0.00 61.98 61.97 3b3s s VAL 79 Cb -0.12 -0.61 -0.03 0.00 0.00 0.00 0.00 36.38 35.62 3b3s s VAL 79 CO 0.02 0.25 0.01 -0.32 0.00 0.00 0.00 175.10 175.07 3b3s s MET 80 N 1.38 3.45 0.16 2.72 1.75 0.08 -0.73 119.30 128.13 3b3s s MET 80 Ca -0.04 -0.41 0.11 0.00 -1.25 0.00 0.00 55.69 54.10 3b3s s MET 80 Cb -0.13 -2.95 -0.04 0.00 2.84 0.00 0.00 34.83 34.54 3b3s s MET 80 CO -0.03 0.47 -0.24 0.95 -0.65 0.00 0.00 175.02 175.51 3b3s s THR 81 N -0.21 2.25 -0.11 10.11 -4.23 0.08 -0.39 115.64 123.13 3b3s s THR 81 Ca 0.06 -1.90 0.02 0.00 -1.18 0.00 0.00 61.69 58.69 3b3s s THR 81 Cb -0.12 -2.03 0.01 0.00 1.34 0.00 0.00 72.50 71.70 3b3s s THR 81 CO 0.02 -0.06 -0.19 -0.63 -0.54 0.00 0.00 174.62 173.22 3b3s s ILE 82 N -1.46 1.75 0.13 2.99 1.01 -0.25 -1.27 121.20 124.09 3b3s s ILE 82 Ca 0.17 -0.81 -0.30 0.00 0.00 0.00 0.00 60.65 59.72 3b3s s ILE 82 Cb -0.09 -1.56 -0.06 0.00 0.01 0.00 0.00 42.46 40.76 3b3s s ILE 82 CO 0.08 0.49 1.00 -0.89 0.00 0.00 0.00 174.94 175.62 3b3s s THR 83 N 0.80 4.33 0.42 2.92 2.01 -0.28 -1.19 115.64 124.65 3b3s s THR 83 Ca -0.09 1.95 -0.24 0.00 0.31 0.00 0.00 61.69 63.61 3b3s s THR 83 Cb -0.16 -4.24 -0.08 0.00 0.01 0.00 0.00 72.50 68.03 3b3s s THR 83 CO 0.00 0.31 1.12 -0.83 -0.69 0.00 0.00 174.62 174.53 3b3s s GLY 84 N -0.02 2.80 0.41 4.40 0.00 -1.22 -4.77 107.32 108.91 3b3s s GLY 84 Ca 0.48 0.86 0.23 0.00 0.00 0.00 0.00 44.72 46.29 3b3s s GLY 84 CO 0.31 1.33 1.59 1.48 0.00 0.00 0.00 173.10 177.80 3b3s h SER 85 N 2.42 0.00 0.00 1.64 4.64 -0.76 -3.34 113.55 118.16 3b3s h SER 85 Ca -0.49 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 3b3s h SER 85 Cb 1.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 3b3s h SER 85 CO 0.62 0.00 -0.49 -0.62 -0.87 0.00 0.00 176.83 175.46 3b3s n GLU 86 N -3.02 0.00 -3.20 4.77 1.02 -0.62 -4.89 120.64 114.70 3b3s n GLU 86 Ca 0.04 0.00 -0.24 0.00 -0.02 0.00 0.00 57.16 56.94 3b3s n GLU 86 Cb 0.53 -0.73 -0.06 0.00 -0.02 0.00 0.00 31.44 31.16 3b3s n GLU 86 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3b3s n ALA 87 N -2.02 3.35 0.28 0.62 0.00 0.47 -4.94 120.51 118.27 3b3s n ALA 87 Ca 0.00 -4.11 0.16 0.00 0.00 0.00 0.00 53.44 49.50 3b3s n ALA 87 Cb 0.25 -0.84 0.82 0.00 0.00 0.00 0.00 19.45 19.67 3b3s n ALA 87 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 3b3s h PRO 88 N 3.59 0.00 -0.23 0.00 0.13 -1.70 -1.74 132.00 132.05 3b3s h PRO 88 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 3b3s h PRO 88 Cb 0.75 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.88 3b3s h PRO 88 CO 0.66 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 178.03 3b3s n ASP 89 N -2.69 1.93 -4.54 1.44 3.85 -1.26 -4.16 116.55 111.12 3b3s n ASP 89 Ca -0.01 -1.79 -0.35 0.00 -0.71 0.00 0.00 54.79 51.93 3b3s n ASP 89 Cb 0.12 -0.15 -0.11 0.00 -1.35 0.00 0.00 41.12 39.63 3b3s n ASP 89 CO 0.00 0.00 0.00 -1.61 -1.01 0.00 0.00 177.20 174.58 3b3s s GLU 90 N -1.71 3.79 -0.08 0.11 2.02 -0.66 -3.79 118.70 118.39 3b3s s GLU 90 Ca 0.32 -0.44 0.03 0.00 0.02 0.00 0.00 54.97 54.90 3b3s s GLU 90 Cb 0.17 -3.14 -0.02 0.00 0.10 0.00 0.00 34.13 31.24 3b3s s GLU 90 CO 0.25 0.14 -0.17 -1.58 0.02 0.00 0.00 175.26 173.92 3b3s s TRP 91 N 0.70 2.67 -0.17 1.61 0.52 0.23 -1.39 118.94 123.10 3b3s s TRP 91 Ca 0.02 -0.49 -0.04 0.00 0.02 0.00 0.00 56.10 55.60 3b3s s TRP 91 Cb -0.14 -1.70 -0.02 0.00 -1.15 0.00 0.00 33.47 30.46 3b3s s TRP 91 CO 0.02 -0.07 -0.03 0.42 0.02 0.00 0.00 176.95 177.30 3b3s s ILE 92 N -0.18 3.79 -0.04 2.03 -1.09 0.02 -0.70 121.20 125.02 3b3s s ILE 92 Ca -0.01 -0.38 0.03 0.00 -2.23 0.00 0.00 60.65 58.06 3b3s s ILE 92 Cb -0.13 -2.68 -0.03 0.00 -1.58 0.00 0.00 42.46 38.04 3b3s s ILE 92 CO 0.03 0.47 -0.12 -0.69 -1.23 0.00 0.00 174.94 173.40 3b3s s VAL 93 N 0.66 3.21 -0.00 2.92 1.01 -0.30 -0.58 120.40 127.32 3b3s s VAL 93 Ca -0.02 -0.74 0.00 0.00 0.00 0.00 0.00 61.98 61.23 3b3s s VAL 93 Cb -0.14 -2.30 0.00 0.00 0.00 0.00 0.00 36.38 33.94 3b3s s VAL 93 CO 0.02 0.54 -0.01 -0.51 0.00 0.00 0.00 175.10 175.15 3b3s s ILE 94 N -0.80 0.06 0.20 2.22 2.07 -0.43 -1.06 121.20 123.46 3b3s s ILE 94 Ca 0.13 -0.02 -0.23 0.00 -1.41 0.00 0.00 60.65 59.11 3b3s s ILE 94 Cb -0.11 -0.06 0.05 0.00 0.13 0.00 0.00 42.46 42.47 3b3s s ILE 94 CO 0.02 0.02 0.85 -0.83 -1.91 0.00 0.00 174.94 173.09 3b3s s GLY 95 N 0.03 -0.20 0.27 1.50 0.00 -0.28 -0.85 107.32 107.79 3b3s s GLY 95 Ca -0.00 -0.00 -0.02 0.00 0.00 0.00 0.00 44.72 44.70 3b3s s GLY 95 CO -0.00 -0.02 0.38 0.61 0.00 0.00 0.00 173.10 174.07 3b3s n GLY 96 N -0.45 2.32 3.68 0.20 0.00 -0.55 -0.60 105.19 109.79 3b3s n GLY 96 Ca -0.06 -1.54 -0.31 0.00 0.00 0.00 0.00 46.02 44.10 3b3s n GLY 96 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 3b3s s HIS 97 N -3.45 3.03 -1.10 1.61 -3.43 -1.26 -0.85 115.29 109.84 3b3s s HIS 97 Ca 0.22 0.03 0.23 0.00 -0.80 0.00 0.00 55.06 54.73 3b3s s HIS 97 Cb -0.01 -1.61 0.06 0.00 -1.43 0.00 0.00 32.58 29.59 3b3s s HIS 97 CO 0.15 0.47 1.10 1.47 -2.00 0.00 0.00 174.74 175.93 3b3s n LEU 98 N 1.02 0.91 -4.91 5.38 -0.00 0.00 -4.46 117.00 114.94 3b3s n LEU 98 Ca -0.13 -0.35 -0.27 0.00 -0.00 0.00 0.00 56.01 55.27 3b3s n LEU 98 Cb 0.52 -0.08 0.03 0.00 -0.00 0.00 0.00 43.42 43.88 3b3s n LEU 98 CO 0.36 0.22 0.52 1.51 -0.00 0.00 0.00 177.39 180.00 3b3s s ASP 99 N -2.94 5.71 0.15 1.45 -4.77 -1.26 -4.85 116.67 110.15 3b3s s ASP 99 Ca 0.10 0.76 0.00 0.00 -3.30 0.00 0.00 52.55 50.12 3b3s s ASP 99 Cb 0.17 -1.80 -0.04 0.00 -1.09 0.00 0.00 42.92 40.15 3b3s s ASP 99 CO 0.78 -0.99 0.03 -0.94 0.70 0.00 0.00 175.17 174.75 3b3s s SER 100 N -4.27 0.75 0.07 2.11 1.04 -0.97 -4.18 113.70 108.25 3b3s s SER 100 Ca 0.53 -1.18 -0.17 0.00 0.48 0.00 0.00 55.95 55.61 3b3s s SER 100 Cb -0.10 0.20 0.03 0.00 0.10 0.00 0.00 66.02 66.25 3b3s s SER 100 CO 0.45 -0.65 0.40 0.28 0.98 0.00 0.00 173.24 174.71 3b3s s THR 101 N -3.85 0.06 -0.17 2.02 -1.32 -1.26 -3.42 115.64 107.69 3b3s s THR 101 Ca 0.23 -0.51 0.17 0.00 -1.21 0.00 0.00 61.69 60.36 3b3s s THR 101 Cb 0.07 -1.02 0.37 0.00 -1.51 0.00 0.00 72.50 70.42 3b3s s THR 101 CO 0.02 -0.28 1.26 2.30 -2.21 0.00 0.00 174.62 175.71 3b3s n ILE 102 N 0.30 1.98 0.00 5.08 -5.35 -1.26 -4.24 119.36 115.86 3b3s n ILE 102 Ca -0.18 -2.01 0.00 0.00 -0.27 0.00 0.00 62.75 60.30 3b3s n ILE 102 Cb 0.61 -0.19 0.00 0.00 -1.74 0.00 0.00 39.64 38.32 3b3s n ILE 102 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3b3s n GLY 103 N -0.95 -0.13 0.30 3.28 0.00 -1.26 -4.72 105.19 101.71 3b3s n GLY 103 Ca 0.17 -2.23 0.18 0.00 0.00 0.00 0.00 46.02 44.14 3b3s n GLY 103 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3b3s h SER 104 N 0.00 0.00 -0.07 1.61 4.64 -1.99 -2.13 113.55 115.62 3b3s h SER 104 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3b3s h SER 104 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3b3s h SER 104 CO 0.00 0.03 0.00 0.00 -0.87 0.00 0.00 176.83 175.99 3b3s n HIS 105 N -3.33 0.07 -1.82 4.77 -0.00 -1.26 -4.97 115.22 108.68 3b3s n HIS 105 Ca -0.02 -0.04 -0.41 0.00 -0.00 0.00 0.00 57.72 57.25 3b3s n HIS 105 Cb 0.16 0.00 -0.02 0.00 -0.00 0.00 0.00 29.99 30.13 3b3s n HIS 105 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 176.34 177.33 3b3s s THR 106 N -1.93 2.17 0.04 0.61 2.01 -0.80 -4.98 115.64 112.76 3b3s s THR 106 Ca 0.36 0.14 0.01 0.00 0.31 0.00 0.00 61.69 62.51 3b3s s THR 106 Cb 0.20 -3.09 -0.00 0.00 0.01 0.00 0.00 72.50 69.61 3b3s s THR 106 CO 0.31 0.02 0.05 -0.46 -0.69 0.00 0.00 174.62 173.85 3b3s n ASN 107 N 2.13 -0.13 -0.32 3.53 0.23 -1.26 -5.01 115.26 114.43 3b3s n ASN 107 Ca 0.08 -1.27 0.16 0.00 -0.53 0.00 0.00 54.58 53.01 3b3s n ASN 107 Cb 0.38 0.26 0.39 0.00 -2.08 0.00 0.00 39.78 38.73 3b3s n ASN 107 CO 0.00 0.00 0.00 -0.08 -0.93 0.00 0.00 177.26 176.25 3b3s h GLU 108 N 0.00 0.62 -0.00 -3.83 4.57 -1.94 -1.84 114.58 112.15 3b3s h GLU 108 Ca -0.03 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.11 3b3s h GLU 108 Cb 0.16 -0.14 0.00 0.00 -0.16 0.00 0.00 28.75 28.61 3b3s h GLU 108 CO 0.05 0.41 -0.55 1.04 -1.18 0.00 0.00 179.01 178.77 3b3s n GLN 109 N -4.68 0.39 -1.83 1.92 3.00 -1.26 -4.83 117.38 110.08 3b3s n GLN 109 Ca 0.23 -0.27 -0.40 0.00 -0.01 0.00 0.00 57.00 56.54 3b3s n GLN 109 Cb 0.64 -1.49 0.01 0.00 0.00 0.00 0.00 30.24 29.39 3b3s n GLN 109 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.06 175.94 3b3s s SER 110 N -2.80 6.11 -0.51 1.08 0.01 -0.70 -4.95 113.70 111.95 3b3s s SER 110 Ca 0.15 2.95 -0.18 0.00 1.31 0.00 0.00 55.95 60.17 3b3s s SER 110 Cb 0.18 -2.66 0.07 0.00 0.21 0.00 0.00 66.02 63.82 3b3s s SER 110 CO 0.68 -1.02 0.57 -0.69 0.41 0.00 0.00 173.24 173.19 3b3s s VAL 111 N -1.17 4.97 -0.52 3.43 1.01 -1.26 -3.99 120.40 122.87 3b3s s VAL 111 Ca 0.57 -0.73 0.05 0.00 0.00 0.00 0.00 61.98 61.88 3b3s s VAL 111 Cb -0.44 -4.28 0.20 0.00 0.00 0.00 0.00 36.38 31.86 3b3s s VAL 111 CO 0.58 -0.79 0.49 0.00 0.00 0.00 0.00 175.10 175.39 3b3s n ALA 112 N 5.91 3.11 0.25 5.51 0.00 -0.11 -3.92 120.51 131.25 3b3s n ALA 112 Ca -0.09 -3.81 0.08 0.00 0.00 0.00 0.00 53.44 49.62 3b3s n ALA 112 Cb 0.44 -0.86 0.61 0.00 0.00 0.00 0.00 19.45 19.64 3b3s n ALA 112 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 3b3s h PRO 113 N 4.96 0.00 -6.04 0.00 0.13 -1.77 -3.37 132.00 125.91 3b3s h PRO 113 Ca 0.18 0.00 -0.46 0.00 -0.87 0.00 0.00 66.00 64.86 3b3s h PRO 113 Cb 0.82 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.92 3b3s h PRO 113 CO 0.56 0.08 -0.72 0.41 -0.23 0.00 0.00 178.00 178.10 3b3s n GLY 114 N -1.29 -0.50 0.09 1.56 0.00 -1.08 -4.12 105.19 99.86 3b3s n GLY 114 Ca -0.03 0.18 -0.13 0.00 0.00 0.00 0.00 46.02 46.03 3b3s n GLY 114 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3b3s h ALA 115 N 0.97 0.09 0.02 4.61 0.00 -1.18 -0.65 119.26 123.12 3b3s h ALA 115 Ca -0.55 -0.33 -0.00 0.00 0.00 0.00 0.00 54.91 54.03 3b3s h ALA 115 Cb 1.36 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.14 3b3s h ALA 115 CO 0.65 -0.04 -0.01 0.22 0.00 0.00 0.00 179.25 180.06 3b3s h ASP 116 N -0.32 -0.02 -3.55 0.00 3.58 -1.82 -1.06 116.42 113.22 3b3s h ASP 116 Ca 0.00 -0.75 -0.73 0.00 0.42 0.00 0.00 57.03 55.98 3b3s h ASP 116 Cb 0.68 0.00 -0.31 0.00 1.72 0.00 0.00 39.33 41.43 3b3s h ASP 116 CO 0.02 0.77 -0.34 -0.62 -2.88 0.00 0.00 179.24 176.20 3b3s s ASP 117 N -5.97 5.70 -0.18 2.28 2.15 -1.24 -3.36 116.67 116.05 3b3s s ASP 117 Ca -0.17 -2.22 0.19 0.00 0.43 0.00 0.00 52.55 50.78 3b3s s ASP 117 Cb -0.01 -1.99 0.46 0.00 -0.30 0.00 0.00 42.92 41.08 3b3s s ASP 117 CO 0.63 -0.60 1.16 -0.67 -0.17 0.00 0.00 175.17 175.52 3b3s n ASP 118 N 4.46 2.10 -0.12 -0.34 2.03 -1.09 -4.39 116.55 119.21 3b3s n ASP 118 Ca -0.01 -2.66 0.08 0.00 0.52 0.00 0.00 54.79 52.72 3b3s n ASP 118 Cb 0.41 -0.41 0.42 0.00 -0.72 0.00 0.00 41.12 40.82 3b3s n ASP 118 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3b3s h ALA 119 N 1.81 1.82 -0.67 -1.67 0.00 -1.11 -1.62 119.26 117.82 3b3s h ALA 119 Ca -0.04 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 3b3s h ALA 119 Cb 1.46 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 19.07 3b3s h ALA 119 CO 0.25 0.07 0.29 0.66 0.00 0.00 0.00 179.25 180.51 3b3s h SER 120 N 0.60 0.91 -0.41 0.00 4.64 -1.19 0.23 113.55 118.33 3b3s h SER 120 Ca 0.28 -0.16 -0.13 0.00 -0.47 0.00 0.00 61.79 61.30 3b3s h SER 120 Cb 0.32 -0.24 -0.01 0.00 -0.31 0.00 0.00 62.40 62.16 3b3s h SER 120 CO -0.08 0.82 -0.25 1.23 -0.87 0.00 0.00 176.83 177.68 3b3s h GLY 121 N 0.95 1.00 0.99 -0.77 0.00 -1.54 0.06 103.07 103.76 3b3s h GLY 121 Ca 0.23 -0.90 -0.02 0.00 0.00 0.00 0.00 47.33 46.63 3b3s h GLY 121 CO -0.02 0.82 0.31 -2.22 0.00 0.00 0.00 176.54 175.43 3b3s h ILE 122 N 0.79 1.21 -0.93 2.60 1.08 -1.01 -1.00 117.51 120.25 3b3s h ILE 122 Ca 0.10 -0.58 -0.01 0.00 -0.39 0.00 0.00 64.86 63.98 3b3s h ILE 122 Cb 0.81 0.46 -0.05 0.00 -3.07 0.00 0.00 36.82 34.97 3b3s h ILE 122 CO 0.07 0.24 0.56 0.00 -0.69 0.00 0.00 178.15 178.33 3b3s h ALA 123 N 1.14 1.19 -0.03 1.87 0.00 -0.27 0.79 119.26 123.95 3b3s h ALA 123 Ca 0.21 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 3b3s h ALA 123 Cb 0.10 -0.38 -0.00 0.00 0.00 0.00 0.00 17.79 17.51 3b3s h ALA 123 CO -0.03 0.65 0.02 0.00 0.00 0.00 0.00 179.25 179.89 3b3s h ALA 124 N 1.31 0.04 -0.69 0.00 0.00 -0.55 -0.87 119.26 118.50 3b3s h ALA 124 Ca 0.34 -0.06 0.03 0.00 0.00 0.00 0.00 54.91 55.21 3b3s h ALA 124 Cb -0.05 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.68 3b3s h ALA 124 CO -0.06 -0.40 0.43 0.28 0.00 0.00 0.00 179.25 179.50 3b3s h VAL 125 N -0.07 1.09 -0.63 0.00 2.07 -0.96 -0.87 116.25 116.88 3b3s h VAL 125 Ca 0.01 -0.29 0.03 0.00 0.82 0.00 0.00 66.70 67.28 3b3s h VAL 125 Cb 0.12 0.18 -0.04 0.00 -1.52 0.00 0.00 31.29 30.03 3b3s h VAL 125 CO -0.00 0.15 0.39 0.74 0.02 0.00 0.00 177.57 178.87 3b3s h THR 126 N 0.83 1.07 -0.13 2.57 2.02 -0.63 -0.77 112.91 117.87 3b3s h THR 126 Ca 0.28 -0.26 -0.13 0.00 0.77 0.00 0.00 66.41 67.06 3b3s h THR 126 Cb 0.03 0.24 -0.01 0.00 -1.74 0.00 0.00 68.15 66.67 3b3s h THR 126 CO -0.11 0.14 -0.50 -0.08 0.37 0.00 0.00 175.52 175.34 3b3s h GLU 127 N 0.76 0.35 -0.25 6.66 4.57 -0.75 0.79 114.58 126.71 3b3s h GLU 127 Ca 0.26 -0.20 0.02 0.00 -1.18 0.00 0.00 59.36 58.26 3b3s h GLU 127 Cb 0.03 0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 28.62 3b3s h GLU 127 CO -0.11 0.77 0.10 0.28 -1.18 0.00 0.00 179.01 178.88 3b3s h VAL 128 N 0.28 0.96 -0.72 0.32 2.07 -0.68 -0.99 116.25 117.50 3b3s h VAL 128 Ca 0.01 -0.08 0.06 0.00 0.82 0.00 0.00 66.70 67.51 3b3s h VAL 128 Cb 0.98 0.71 -0.06 0.00 -1.52 0.00 0.00 31.29 31.41 3b3s h VAL 128 CO 0.08 0.04 0.41 0.40 0.02 0.00 0.00 177.57 178.53 3b3s h ILE 129 N 0.23 0.99 -0.28 4.57 2.04 -0.75 -0.85 117.51 123.47 3b3s h ILE 129 Ca 0.11 -0.26 -0.01 0.00 1.00 0.00 0.00 64.86 65.69 3b3s h ILE 129 Cb 0.05 0.16 -0.01 0.00 -0.74 0.00 0.00 36.82 36.28 3b3s h ILE 129 CO -0.09 0.14 0.13 -0.09 0.00 0.00 0.00 178.15 178.23 3b3s h ARG 130 N 0.76 0.41 -0.56 2.37 2.43 -0.40 0.16 114.38 119.55 3b3s h ARG 130 Ca 0.32 -0.07 -0.11 0.00 -0.81 0.00 0.00 59.98 59.31 3b3s h ARG 130 Cb 0.18 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.64 3b3s h ARG 130 CO -0.18 0.41 -0.07 0.28 -1.51 0.00 0.00 179.97 178.90 3b3s h VAL 131 N 0.31 1.27 -0.70 0.20 2.07 -0.92 -0.02 116.25 118.46 3b3s h VAL 131 Ca 0.09 -1.23 -0.07 0.00 0.82 0.00 0.00 66.70 66.32 3b3s h VAL 131 Cb 0.14 0.92 -0.03 0.00 -1.52 0.00 0.00 31.29 30.80 3b3s h VAL 131 CO -0.01 0.44 0.17 -0.07 0.02 0.00 0.00 177.57 178.12 3b3s h LEU 132 N 0.92 1.06 -0.34 2.57 3.38 -0.96 -2.40 115.31 119.54 3b3s h LEU 132 Ca 0.15 -0.22 -0.06 0.00 0.09 0.00 0.00 57.88 57.84 3b3s h LEU 132 Cb 0.64 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 3b3s h LEU 132 CO 0.04 1.01 -0.01 0.77 0.09 0.00 0.00 178.44 180.34 3b3s h SER 133 N 1.06 0.59 0.51 -0.43 4.64 -0.39 -0.96 113.55 118.59 3b3s h SER 133 Ca 0.22 -0.32 -0.03 0.00 -0.47 0.00 0.00 61.79 61.19 3b3s h SER 133 Cb 0.37 -0.16 -0.00 0.00 -0.31 0.00 0.00 62.40 62.29 3b3s h SER 133 CO 0.00 0.77 -0.15 -0.33 -0.87 0.00 0.00 176.83 176.25 3b3s h GLU 134 N 0.41 0.00 -0.65 4.77 5.08 -0.89 -2.11 114.58 121.18 3b3s h GLU 134 Ca 0.09 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 3b3s h GLU 134 Cb 0.47 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.72 3b3s h GLU 134 CO 0.02 0.15 0.00 0.09 -1.00 0.00 0.00 179.01 178.27 3b3s n ASN 135 N -3.56 3.55 -3.88 1.42 3.02 -0.91 -4.96 115.26 109.94 3b3s n ASN 135 Ca -0.01 -2.03 -0.29 0.00 -0.03 0.00 0.00 54.58 52.22 3b3s n ASN 135 Cb 0.29 -0.44 0.03 0.00 -0.61 0.00 0.00 39.78 39.04 3b3s n ASN 135 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3b3s n ASN 136 N 1.38 -4.68 -4.74 6.41 3.02 -0.80 -4.85 115.26 111.00 3b3s n ASN 136 Ca 0.22 -0.77 -0.42 0.00 -0.03 0.00 0.00 54.58 53.59 3b3s n ASN 136 Cb 0.57 -3.97 -0.02 0.00 -0.61 0.00 0.00 39.78 35.75 3b3s n ASN 136 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 3b3s s PHE 137 N -3.33 2.77 -0.40 3.10 5.36 -0.43 -4.97 117.98 120.09 3b3s s PHE 137 Ca 0.62 0.67 0.03 0.00 -0.96 0.00 0.00 56.93 57.28 3b3s s PHE 137 Cb -0.31 -4.10 0.11 0.00 -0.34 0.00 0.00 43.02 38.39 3b3s s PHE 137 CO 0.82 -3.81 0.14 -1.14 -1.46 0.00 0.00 175.22 169.77 3b3s s GLN 138 N -0.12 1.47 0.62 10.12 2.00 -1.26 -4.94 119.66 127.56 3b3s s GLN 138 Ca 0.66 -1.97 -0.15 0.00 -2.00 0.00 0.00 55.36 51.90 3b3s s GLN 138 Cb -0.49 -2.94 -0.02 0.00 0.80 0.00 0.00 33.01 30.37 3b3s s GLN 138 CO 0.44 -1.02 1.08 -1.25 -0.50 0.00 0.00 175.29 174.04 3b3s s PRO 139 N 0.62 3.10 0.12 1.67 0.04 -1.26 -4.86 135.00 134.44 3b3s s PRO 139 Ca 0.13 1.28 -0.07 0.00 0.04 0.00 0.00 61.00 62.37 3b3s s PRO 139 Cb -0.21 -2.00 -0.11 0.00 0.04 0.00 0.00 34.50 32.22 3b3s s PRO 139 CO -0.08 -0.99 1.30 0.87 0.04 0.00 0.00 177.00 178.14 3b3s h LYS 140 N 0.25 0.55 -6.46 4.56 1.57 -1.24 -1.07 116.57 114.74 3b3s h LYS 140 Ca -0.47 -0.53 -0.47 0.00 -1.87 0.00 0.00 60.65 57.31 3b3s h LYS 140 Cb 1.23 0.14 0.01 0.00 0.08 0.00 0.00 32.23 33.69 3b3s h LYS 140 CO 0.56 1.16 -0.24 1.03 -0.57 0.00 0.00 179.45 181.39 3b3s s ARG 141 N -3.43 3.42 0.45 3.15 0.52 -0.52 -0.39 118.95 122.16 3b3s s ARG 141 Ca -0.07 -0.46 -0.22 0.00 -0.52 0.00 0.00 55.73 54.45 3b3s s ARG 141 Cb 0.09 -2.71 -0.08 0.00 0.52 0.00 0.00 34.95 32.77 3b3s s ARG 141 CO 0.88 0.17 1.09 -1.12 0.02 0.00 0.00 175.30 176.34 3b3s s SER 142 N -4.05 6.36 -0.04 0.23 0.01 -0.49 -3.43 113.70 112.30 3b3s s SER 142 Ca 0.40 2.12 0.05 0.00 1.31 0.00 0.00 55.95 59.82 3b3s s SER 142 Cb -0.09 -2.59 -0.01 0.00 0.21 0.00 0.00 66.02 63.54 3b3s s SER 142 CO 0.35 -0.77 -0.18 -0.63 0.41 0.00 0.00 173.24 172.41 3b3s s ILE 143 N -1.70 1.45 -0.11 1.44 1.01 -0.33 -0.80 121.20 122.15 3b3s s ILE 143 Ca 0.63 -0.74 0.04 0.00 0.00 0.00 0.00 60.65 60.57 3b3s s ILE 143 Cb -0.23 -1.24 0.00 0.00 0.01 0.00 0.00 42.46 41.00 3b3s s ILE 143 CO 0.28 0.42 -0.23 0.00 0.00 0.00 0.00 174.94 175.40 3b3s s ALA 144 N -0.10 2.20 -0.22 9.38 0.00 0.26 -1.10 121.76 132.18 3b3s s ALA 144 Ca -0.01 -1.00 -0.06 0.00 0.00 0.00 0.00 51.96 50.89 3b3s s ALA 144 Cb -0.10 -0.86 -0.03 0.00 0.00 0.00 0.00 23.12 22.13 3b3s s ALA 144 CO 0.01 0.21 0.04 -0.06 0.00 0.00 0.00 175.76 175.97 3b3s s PHE 145 N 0.45 3.10 0.01 0.00 0.40 0.48 -1.31 117.98 121.11 3b3s s PHE 145 Ca -0.16 -0.33 0.05 0.00 -0.60 0.00 0.00 56.93 55.89 3b3s s PHE 145 Cb -0.17 -2.14 -0.02 0.00 0.51 0.00 0.00 43.02 41.20 3b3s s PHE 145 CO 0.06 -0.21 -0.17 -1.64 0.70 0.00 0.00 175.22 173.97 3b3s s MET 146 N 1.11 1.27 -0.34 0.44 -1.94 -0.03 -0.74 119.30 119.08 3b3s s MET 146 Ca 0.04 -0.70 0.03 0.00 -1.71 0.00 0.00 55.69 53.35 3b3s s MET 146 Cb -0.14 -1.27 0.10 0.00 2.01 0.00 0.00 34.83 35.53 3b3s s MET 146 CO 0.03 0.34 0.07 0.00 -0.01 0.00 0.00 175.02 175.44 3b3s s ALA 147 N -0.56 2.63 0.26 3.03 0.00 0.53 -1.48 121.76 126.17 3b3s s ALA 147 Ca 0.06 -2.38 -0.29 0.00 0.00 0.00 0.00 51.96 49.34 3b3s s ALA 147 Cb -0.07 -1.90 -0.09 0.00 0.00 0.00 0.00 23.12 21.05 3b3s s ALA 147 CO 0.00 -1.69 0.99 0.71 0.00 0.00 0.00 175.76 175.77 3b3s s TYR 148 N 1.01 3.82 0.60 0.00 2.02 -0.03 -0.66 117.35 124.12 3b3s s TYR 148 Ca 0.11 1.83 -0.16 0.00 -0.37 0.00 0.00 57.07 58.48 3b3s s TYR 148 Cb -0.19 -3.08 -0.03 0.00 -0.40 0.00 0.00 41.96 38.26 3b3s s TYR 148 CO -0.11 0.09 1.07 0.00 -1.57 0.00 0.00 175.55 175.03 3b3s s ALA 149 N -1.22 2.68 -1.53 3.71 0.00 -1.26 -0.82 121.76 123.32 3b3s s ALA 149 Ca 0.43 0.45 -0.04 0.00 0.00 0.00 0.00 51.96 52.80 3b3s s ALA 149 Cb -0.27 -3.26 0.01 0.00 0.00 0.00 0.00 23.12 19.60 3b3s s ALA 149 CO 0.34 -0.90 0.40 0.00 0.00 0.00 0.00 175.76 175.60 3b3s n ALA 150 N -2.06 -0.89 0.06 0.00 0.00 -1.26 -1.50 120.51 114.85 3b3s n ALA 150 Ca 0.09 0.22 0.01 0.00 0.00 0.00 0.00 53.44 53.76 3b3s n ALA 150 Cb 0.53 -3.16 0.33 0.00 0.00 0.00 0.00 19.45 17.15 3b3s n ALA 150 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 3b3s h GLU 151 N -0.90 0.38 0.00 0.00 4.22 -1.91 -1.71 114.58 114.66 3b3s h GLU 151 Ca -0.49 -0.09 0.00 0.00 0.08 0.00 0.00 59.36 58.86 3b3s h GLU 151 Cb 1.34 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.54 3b3s h GLU 151 CO 0.55 0.48 0.00 0.39 -2.18 0.00 0.00 179.01 178.25 3b3s n GLU 152 N -4.26 0.10 -1.73 1.92 -0.58 -1.26 -1.74 120.64 113.08 3b3s n GLU 152 Ca 0.00 0.06 -0.16 0.00 -0.42 0.00 0.00 57.16 56.65 3b3s n GLU 152 Cb 0.27 -1.50 0.06 0.00 -0.57 0.00 0.00 31.44 29.71 3b3s n GLU 152 CO 0.00 0.00 0.00 1.33 -0.48 0.00 0.00 177.13 177.98 3b3s n VAL 153 N -1.44 2.36 0.00 2.62 0.24 -1.18 -4.91 118.33 116.01 3b3s n VAL 153 Ca 0.08 -3.89 0.00 0.00 -2.04 0.00 0.00 64.34 58.49 3b3s n VAL 153 Cb 0.27 -0.78 0.00 0.00 -1.47 0.00 0.00 33.84 31.86 3b3s n VAL 153 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3b3s n GLY 154 N -0.78 1.73 3.41 7.63 0.00 -1.15 -4.62 105.19 111.42 3b3s n GLY 154 Ca 0.36 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.14 3b3s n GLY 154 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3b3s n LEU 155 N 0.00 -2.88 -0.05 0.99 4.77 -0.71 -4.88 117.00 114.24 3b3s n LEU 155 Ca 0.00 -0.47 -0.13 0.00 -0.03 0.00 0.00 56.01 55.39 3b3s n LEU 155 Cb 0.00 -2.88 -0.07 0.00 -2.33 0.00 0.00 43.42 38.13 3b3s n LEU 155 CO 0.00 0.43 0.65 0.03 -1.33 0.00 0.00 177.39 177.17 3b3s h ARG 156 N -2.00 0.29 -0.23 3.23 3.08 -1.51 -1.19 114.38 116.05 3b3s h ARG 156 Ca -0.55 -0.14 -0.06 0.00 0.07 0.00 0.00 59.98 59.31 3b3s h ARG 156 Cb 1.36 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.40 3b3s h ARG 156 CO 0.58 0.65 -0.09 0.78 -1.07 0.00 0.00 179.97 180.81 3b3s h GLY 157 N -0.07 0.50 1.41 0.04 0.00 -1.43 -2.33 103.07 101.19 3b3s h GLY 157 Ca 0.03 -0.44 -0.10 0.00 0.00 0.00 0.00 47.33 46.81 3b3s h GLY 157 CO 0.02 0.40 -0.19 1.48 0.00 0.00 0.00 176.54 178.26 3b3s h SER 158 N 0.18 0.69 -0.58 0.19 4.64 -1.73 -0.60 113.55 116.35 3b3s h SER 158 Ca 0.05 -0.23 0.05 0.00 -0.47 0.00 0.00 61.79 61.20 3b3s h SER 158 Cb 0.58 -0.19 -0.05 0.00 -0.31 0.00 0.00 62.40 62.43 3b3s h SER 158 CO 0.03 0.88 0.30 1.56 -0.87 0.00 0.00 176.83 178.73 3b3s h GLN 159 N 0.61 0.55 -0.31 4.77 4.20 -1.16 0.15 115.11 123.92 3b3s h GLN 159 Ca 0.09 -0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.76 3b3s h GLN 159 Cb 0.66 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 28.30 3b3s h GLN 159 CO 0.05 0.36 0.14 -0.44 -0.67 0.00 0.00 178.83 178.27 3b3s h ASP 160 N 0.56 0.42 -0.28 1.46 3.32 -0.96 -0.69 116.42 120.25 3b3s h ASP 160 Ca 0.26 -0.14 -0.03 0.00 0.02 0.00 0.00 57.03 57.14 3b3s h ASP 160 Cb 0.17 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.60 3b3s h ASP 160 CO -0.18 0.44 0.06 -0.07 -1.72 0.00 0.00 179.24 177.77 3b3s h LEU 161 N 0.37 0.43 -0.70 1.55 -0.00 -0.81 0.16 115.31 116.31 3b3s h LEU 161 Ca 0.11 -0.24 -0.03 0.00 -0.00 0.00 0.00 57.88 57.72 3b3s h LEU 161 Cb 0.14 -0.11 -0.03 0.00 -0.00 0.00 0.00 40.66 40.65 3b3s h LEU 161 CO -0.01 0.56 0.32 0.00 -0.00 0.00 0.00 178.44 179.31 3b3s h ALA 162 N 0.89 0.91 -0.06 1.53 0.00 -0.68 0.61 119.26 122.45 3b3s h ALA 162 Ca 0.09 -0.15 -0.11 0.00 0.00 0.00 0.00 54.91 54.74 3b3s h ALA 162 Cb 0.30 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 3b3s h ALA 162 CO 0.00 0.48 -0.45 -0.91 0.00 0.00 0.00 179.25 178.37 3b3s h ASN 163 N 0.98 0.16 -0.12 0.00 2.35 -0.98 -0.85 115.58 117.12 3b3s h ASN 163 Ca 0.24 -0.07 -0.01 0.00 -0.55 0.00 0.00 56.30 55.90 3b3s h ASN 163 Cb 0.14 -0.04 -0.00 0.00 0.05 0.00 0.00 38.32 38.46 3b3s h ASN 163 CO -0.03 0.59 0.02 0.06 -1.65 0.00 0.00 177.43 176.42 3b3s h GLN 164 N 0.12 0.20 -0.80 0.81 3.07 -0.05 -0.24 115.11 118.23 3b3s h GLN 164 Ca 0.01 -0.05 0.06 0.00 0.09 0.00 0.00 58.65 58.75 3b3s h GLN 164 Cb 0.85 -0.02 -0.06 0.00 0.08 0.00 0.00 27.48 28.33 3b3s h GLN 164 CO 0.07 0.40 0.49 1.88 0.09 0.00 0.00 178.83 181.75 3b3s h TYR 165 N -0.03 0.90 -0.36 0.06 -1.99 -0.77 0.12 116.97 114.90 3b3s h TYR 165 Ca 0.04 0.03 -0.04 0.00 2.00 0.00 0.00 58.73 60.76 3b3s h TYR 165 Cb 0.30 -0.29 -0.01 0.00 2.00 0.00 0.00 36.73 38.73 3b3s h TYR 165 CO 0.02 0.46 0.09 -0.22 -0.00 0.00 0.00 178.16 178.51 3b3s h LYS 166 N 0.90 0.58 -0.84 4.88 3.64 -1.01 0.28 116.57 124.99 3b3s h LYS 166 Ca 0.35 -0.14 0.08 0.00 -1.27 0.00 0.00 60.65 59.67 3b3s h LYS 166 Cb 0.16 -0.08 -0.07 0.00 -0.41 0.00 0.00 32.23 31.83 3b3s h LYS 166 CO -0.17 0.62 0.49 0.77 -2.27 0.00 0.00 179.45 178.89 3b3s h SER 167 N 0.43 0.73 0.43 4.20 0.02 -0.52 -0.93 113.55 117.91 3b3s h SER 167 Ca 0.11 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 61.10 3b3s h SER 167 Cb 0.30 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 62.74 3b3s h SER 167 CO 0.00 0.43 0.00 -0.62 -1.14 0.00 0.00 176.83 175.50 3b3s n GLU 168 N -4.70 0.29 -2.08 3.45 1.02 0.39 -4.89 120.64 114.12 3b3s n GLU 168 Ca 0.13 0.08 -0.12 0.00 -0.02 0.00 0.00 57.16 57.24 3b3s n GLU 168 Cb 0.25 -1.50 -0.01 0.00 -0.02 0.00 0.00 31.44 30.15 3b3s n GLU 168 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3b3s n GLY 169 N 0.58 0.12 3.71 0.62 0.00 -0.35 -4.97 105.19 104.89 3b3s n GLY 169 Ca 0.10 -0.41 -0.42 0.00 0.00 0.00 0.00 46.02 45.29 3b3s n GLY 169 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3b3s s LYS 170 N -4.32 4.40 -0.98 1.61 1.02 0.01 -4.94 119.74 116.53 3b3s s LYS 170 Ca 0.00 1.81 -0.21 0.00 0.02 0.00 0.00 55.97 57.59 3b3s s LYS 170 Cb 0.00 -3.37 0.09 0.00 -0.52 0.00 0.00 37.83 34.02 3b3s s LYS 170 CO 0.00 -0.33 1.31 1.21 -0.92 0.00 0.00 175.35 176.63 3b3s s ASN 171 N 1.17 6.56 -0.46 2.83 2.47 -1.25 -4.74 114.94 121.53 3b3s s ASN 171 Ca 0.60 -1.72 -0.27 0.00 0.42 0.00 0.00 52.86 51.89 3b3s s ASN 171 Cb -0.30 -2.50 0.03 0.00 -1.45 0.00 0.00 41.25 37.03 3b3s s ASN 171 CO 0.28 -1.31 1.01 -0.69 -3.72 0.00 0.00 177.10 172.67 3b3s s VAL 172 N 3.97 4.38 0.21 -5.21 1.01 -1.26 -0.60 120.40 122.90 3b3s s VAL 172 Ca 0.40 0.96 -0.01 0.00 0.00 0.00 0.00 61.98 63.34 3b3s s VAL 172 Cb -0.02 -4.50 -0.04 0.00 0.00 0.00 0.00 36.38 31.82 3b3s s VAL 172 CO -0.10 -0.89 1.54 0.58 0.00 0.00 0.00 175.10 176.24 3b3s h VAL 173 N 6.12 1.33 -1.72 2.92 2.07 -1.29 -3.41 116.25 122.27 3b3s h VAL 173 Ca -0.24 -1.79 0.03 0.00 0.82 0.00 0.00 66.70 65.52 3b3s h VAL 173 Cb 1.07 1.79 -0.23 0.00 -1.52 0.00 0.00 31.29 32.40 3b3s h VAL 173 CO 1.06 0.55 0.39 -0.94 0.02 0.00 0.00 177.57 178.65 3b3s s SER 174 N -6.90 -0.50 -0.11 0.57 1.04 -1.25 -4.52 113.70 102.03 3b3s s SER 174 Ca -0.06 0.74 -0.02 0.00 0.48 0.00 0.00 55.95 57.09 3b3s s SER 174 Cb 0.12 0.67 0.04 0.00 0.10 0.00 0.00 66.02 66.94 3b3s s SER 174 CO 0.82 -0.33 0.01 0.00 0.98 0.00 0.00 173.24 174.72 3b3s s ALA 175 N -0.55 0.80 -0.16 5.32 0.00 -0.01 -1.15 121.76 126.00 3b3s s ALA 175 Ca -0.02 -0.30 -0.07 0.00 0.00 0.00 0.00 51.96 51.57 3b3s s ALA 175 Cb -0.02 -0.87 -0.04 0.00 0.00 0.00 0.00 23.12 22.18 3b3s s ALA 175 CO 0.01 -0.66 0.08 -1.17 0.00 0.00 0.00 175.76 174.01 3b3s s LEU 176 N 1.94 3.93 -0.05 0.00 1.98 -0.22 -1.64 118.68 124.61 3b3s s LEU 176 Ca 0.03 0.17 0.04 0.00 -2.89 0.00 0.00 54.13 51.48 3b3s s LEU 176 Cb -0.14 -1.98 -0.02 0.00 0.66 0.00 0.00 46.19 44.71 3b3s s LEU 176 CO -0.06 0.23 -0.17 -1.58 -1.89 0.00 0.00 176.35 172.88 3b3s s GLN 177 N 0.01 2.49 -0.30 1.98 2.00 -0.01 -1.13 119.66 124.70 3b3s s GLN 177 Ca 0.07 -0.75 0.03 0.00 -2.00 0.00 0.00 55.36 52.70 3b3s s GLN 177 Cb -0.12 -2.32 0.08 0.00 0.80 0.00 0.00 33.01 31.45 3b3s s GLN 177 CO 0.01 0.57 -0.02 -0.51 -0.50 0.00 0.00 175.29 174.83 3b3s s LEU 178 N -0.60 4.10 0.00 3.68 1.43 0.23 -3.85 118.68 123.66 3b3s s LEU 178 Ca 0.09 -1.73 0.00 0.00 -1.03 0.00 0.00 54.13 51.46 3b3s s LEU 178 Cb -0.11 -1.60 0.00 0.00 0.03 0.00 0.00 46.19 44.51 3b3s s LEU 178 CO 0.01 -0.29 0.00 -0.67 0.23 0.00 0.00 176.35 175.63 3b3s n ASP 179 N 4.37 0.00 -4.62 2.29 2.03 -1.26 -4.24 116.55 115.12 3b3s n ASP 179 Ca -0.06 0.00 -0.51 0.00 0.52 0.00 0.00 54.79 54.74 3b3s n ASP 179 Cb 0.42 0.00 -0.06 0.00 -0.72 0.00 0.00 41.12 40.76 3b3s n ASP 179 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3b3s n ALA 180 N -3.00 -0.30 -1.10 -1.67 0.00 -1.26 -3.98 120.51 109.20 3b3s n ALA 180 Ca 0.00 0.48 0.01 0.00 0.00 0.00 0.00 53.44 53.93 3b3s n ALA 180 Cb 0.00 -2.17 0.01 0.00 0.00 0.00 0.00 19.45 17.29 3b3s n ALA 180 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3b3s n THR 181 N 3.03 0.26 -2.01 0.00 -2.24 -1.26 -2.50 114.28 109.56 3b3s n THR 181 Ca 0.19 -0.28 0.03 0.00 -2.27 0.00 0.00 64.05 61.72 3b3s n THR 181 Cb 0.21 0.74 0.05 0.00 -2.10 0.00 0.00 70.33 69.22 3b3s n THR 181 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 3b3s n ASN 182 N -0.16 0.80 -3.78 3.42 5.15 -1.26 -2.27 115.26 117.16 3b3s n ASN 182 Ca 0.01 -2.33 -0.26 0.00 -0.60 0.00 0.00 54.58 51.41 3b3s n ASN 182 Cb 0.52 -0.30 -0.17 0.00 -0.53 0.00 0.00 39.78 39.31 3b3s n ASN 182 CO 0.00 0.00 0.00 -0.47 1.40 0.00 0.00 177.26 178.19 3b3s s TYR 183 N -0.69 0.99 -1.17 1.20 5.04 -1.26 -1.47 117.35 119.99 3b3s s TYR 183 Ca 0.19 -0.58 -0.16 0.00 -2.44 0.00 0.00 57.07 54.08 3b3s s TYR 183 Cb 0.20 -0.98 0.13 0.00 0.35 0.00 0.00 41.96 41.66 3b3s s TYR 183 CO -0.06 -0.48 1.46 0.21 -1.34 0.00 0.00 175.55 175.33 3b3s s LYS 184 N 1.87 3.96 0.27 4.97 2.20 -1.26 -4.52 119.74 127.23 3b3s s LYS 184 Ca 0.02 -2.24 0.26 0.00 -0.36 0.00 0.00 55.97 53.65 3b3s s LYS 184 Cb -0.14 -5.17 0.78 0.00 -1.51 0.00 0.00 37.83 31.79 3b3s s LYS 184 CO -0.07 -1.91 1.75 0.78 -0.36 0.00 0.00 175.35 175.54 3b3s h GLY 185 N 10.65 0.00 -1.63 5.54 0.00 -1.77 -3.47 103.07 112.40 3b3s h GLY 185 Ca 0.31 0.00 -0.50 0.00 0.00 0.00 0.00 47.33 47.15 3b3s h GLY 185 CO 1.28 0.00 -0.54 -0.56 0.00 0.00 0.00 176.54 176.72 3b3s s SER 186 N -4.83 2.29 0.29 0.19 0.01 -1.26 -4.87 113.70 105.52 3b3s s SER 186 Ca 0.09 -1.60 0.01 0.00 1.31 0.00 0.00 55.95 55.76 3b3s s SER 186 Cb 0.10 0.39 0.44 0.00 0.21 0.00 0.00 66.02 67.17 3b3s s SER 186 CO 0.58 -0.88 1.78 0.00 0.41 0.00 0.00 173.24 175.13 3b3s h ALA 187 N 1.98 1.19 -2.47 1.44 0.00 -1.98 -3.44 119.26 115.98 3b3s h ALA 187 Ca -0.35 -0.27 -0.50 0.00 0.00 0.00 0.00 54.91 53.79 3b3s h ALA 187 Cb 1.26 -0.16 0.07 0.00 0.00 0.00 0.00 17.79 18.97 3b3s h ALA 187 CO 0.56 0.52 0.40 -0.65 0.00 0.00 0.00 179.25 180.08 3b3s s GLN 188 N -4.82 3.24 0.02 0.00 1.11 -1.26 -4.95 119.66 113.00 3b3s s GLN 188 Ca -0.08 1.44 -0.18 0.00 0.01 0.00 0.00 55.36 56.55 3b3s s GLN 188 Cb 0.15 -2.01 -0.25 0.00 -1.01 0.00 0.00 33.01 29.89 3b3s s GLN 188 CO 0.79 -0.90 1.10 -0.44 0.01 0.00 0.00 175.29 175.85 3b3s h ASP 189 N 0.76 0.64 -3.80 5.90 3.32 -1.37 -3.47 116.42 118.41 3b3s h ASP 189 Ca -0.48 -0.78 -0.41 0.00 0.02 0.00 0.00 57.03 55.38 3b3s h ASP 189 Cb 1.24 -0.20 -0.31 0.00 0.22 0.00 0.00 39.33 40.29 3b3s h ASP 189 CO 0.56 1.34 -0.78 -0.69 -1.72 0.00 0.00 179.24 177.95 3b3s s VAL 190 N -3.15 0.70 -0.16 -1.35 1.01 -0.90 -4.79 120.40 111.77 3b3s s VAL 190 Ca -0.12 -0.32 0.00 0.00 0.00 0.00 0.00 61.98 61.55 3b3s s VAL 190 Cb 0.04 -0.63 0.03 0.00 0.00 0.00 0.00 36.38 35.82 3b3s s VAL 190 CO 0.85 0.22 -0.13 -0.69 0.00 0.00 0.00 175.10 175.36 3b3s s VAL 191 N 0.21 1.58 -0.01 2.92 1.01 -0.45 -0.81 120.40 124.86 3b3s s VAL 191 Ca -0.03 -0.72 -0.25 0.00 0.00 0.00 0.00 61.98 60.98 3b3s s VAL 191 Cb -0.08 -1.53 -0.04 0.00 0.00 0.00 0.00 36.38 34.73 3b3s s VAL 191 CO 0.00 0.38 0.76 -0.36 0.00 0.00 0.00 175.10 175.89 3b3s s PHE 192 N 1.47 3.65 -0.02 5.22 0.08 0.16 -0.08 117.98 128.47 3b3s s PHE 192 Ca 0.03 1.40 -0.24 0.00 0.12 0.00 0.00 56.93 58.24 3b3s s PHE 192 Cb -0.14 -2.85 -0.04 0.00 -0.57 0.00 0.00 43.02 39.42 3b3s s PHE 192 CO -0.10 0.15 0.75 0.42 -0.10 0.00 0.00 175.22 176.34 3b3s s ILE 193 N 0.47 4.91 -1.16 0.64 -1.09 -0.42 -1.27 121.20 123.27 3b3s s ILE 193 Ca 0.40 1.56 0.13 0.00 -2.23 0.00 0.00 60.65 60.51 3b3s s ILE 193 Cb -0.19 -4.09 -0.01 0.00 -1.58 0.00 0.00 42.46 36.59 3b3s s ILE 193 CO 0.21 0.29 0.73 0.35 -1.23 0.00 0.00 174.94 175.30 3b3s n THR 194 N 3.37 0.00 -3.78 2.92 -2.24 0.25 -4.47 114.28 110.34 3b3s n THR 194 Ca -0.01 -0.36 -0.33 0.00 -2.27 0.00 0.00 64.05 61.08 3b3s n THR 194 Cb 0.51 1.15 -0.05 0.00 -2.10 0.00 0.00 70.33 69.84 3b3s n THR 194 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 3b3s s ASP 195 N -1.66 6.46 -1.87 3.42 -4.77 -1.26 -4.24 116.67 112.75 3b3s s ASP 195 Ca 0.10 0.49 0.00 0.00 -3.30 0.00 0.00 52.55 49.85 3b3s s ASP 195 Cb 0.10 -2.06 0.00 0.00 -1.09 0.00 0.00 42.92 39.88 3b3s s ASP 195 CO 0.34 0.19 0.00 -1.22 0.70 0.00 0.00 175.17 175.18 3b3s n TYR 196 N 0.69 -0.72 -4.18 2.11 4.01 -1.26 -4.88 117.16 112.93 3b3s n TYR 196 Ca -0.08 0.00 -0.11 0.00 -0.16 0.00 0.00 57.90 57.55 3b3s n TYR 196 Cb 0.52 -3.80 -0.10 0.00 -0.31 0.00 0.00 39.34 35.65 3b3s n TYR 196 CO 0.00 0.00 0.00 0.95 -0.46 0.00 0.00 176.86 177.35 3b3s s THR 197 N -2.96 0.11 -0.23 -0.72 -4.23 -1.26 -4.36 115.64 101.99 3b3s s THR 197 Ca 0.00 -1.95 -0.09 0.00 -1.18 0.00 0.00 61.69 58.46 3b3s s THR 197 Cb 0.00 -2.26 -0.04 0.00 1.34 0.00 0.00 72.50 71.54 3b3s s THR 197 CO 0.00 -0.26 0.12 -0.62 -0.54 0.00 0.00 174.62 173.32 3b3s s ASP 198 N -3.11 5.83 0.37 3.99 2.15 0.30 -4.89 116.67 121.30 3b3s s ASP 198 Ca 0.31 0.04 0.19 0.00 0.43 0.00 0.00 52.55 53.53 3b3s s ASP 198 Cb 0.07 -2.04 0.59 0.00 -0.30 0.00 0.00 42.92 41.24 3b3s s ASP 198 CO 0.06 0.07 1.69 0.77 -0.17 0.00 0.00 175.17 177.59 3b3s h SER 199 N 7.48 0.00 -0.28 -0.34 4.64 -1.92 0.23 113.55 123.36 3b3s h SER 199 Ca -0.38 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 60.86 3b3s h SER 199 Cb 1.17 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.25 3b3s h SER 199 CO 0.65 0.36 -0.15 0.78 -0.87 0.00 0.00 176.83 177.60 3b3s h ASN 200 N 0.00 0.61 -0.43 4.97 2.35 -1.97 0.75 115.58 121.86 3b3s h ASN 200 Ca -0.00 -0.42 -0.06 0.00 -0.55 0.00 0.00 56.30 55.27 3b3s h ASN 200 Cb 0.98 -0.17 -0.02 0.00 0.05 0.00 0.00 38.32 39.16 3b3s h ASN 200 CO 0.05 0.89 0.04 0.15 -1.65 0.00 0.00 177.43 176.91 3b3s h PHE 201 N 0.33 0.79 -0.23 1.19 3.57 -1.87 -0.79 116.94 119.93 3b3s h PHE 201 Ca 0.06 -0.12 -0.01 0.00 3.53 0.00 0.00 57.97 61.43 3b3s h PHE 201 Cb 0.67 -0.21 -0.01 0.00 2.79 0.00 0.00 35.95 39.18 3b3s h PHE 201 CO 0.06 0.77 0.11 1.15 -2.23 0.00 0.00 178.31 178.18 3b3s h THR 202 N 0.59 1.14 -0.59 4.41 2.02 -0.86 -0.99 112.91 118.63 3b3s h THR 202 Ca 0.13 -0.40 -0.00 0.00 0.77 0.00 0.00 66.41 66.91 3b3s h THR 202 Cb 0.43 0.98 -0.03 0.00 -1.74 0.00 0.00 68.15 67.79 3b3s h THR 202 CO 0.01 0.14 0.36 1.56 0.37 0.00 0.00 175.52 177.96 3b3s h GLN 203 N 0.24 0.80 -0.76 6.66 1.08 -0.78 -1.11 115.11 121.24 3b3s h GLN 203 Ca 0.08 -0.07 0.01 0.00 -1.45 0.00 0.00 58.65 57.23 3b3s h GLN 203 Cb 0.12 -0.17 -0.04 0.00 -0.05 0.00 0.00 27.48 27.34 3b3s h GLN 203 CO -0.01 0.56 0.50 -0.92 -0.95 0.00 0.00 178.83 178.01 3b3s h TYR 204 N 0.81 0.94 -0.50 2.96 3.20 -0.46 -1.52 116.97 122.40 3b3s h TYR 204 Ca 0.21 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.10 3b3s h TYR 204 Cb -0.03 -0.31 -0.02 0.00 1.54 0.00 0.00 36.73 37.90 3b3s h TYR 204 CO 0.00 0.58 0.27 -0.07 -1.64 0.00 0.00 178.16 177.30 3b3s h LEU 205 N 1.00 0.60 -1.19 2.82 3.38 0.00 -0.52 115.31 121.40 3b3s h LEU 205 Ca 0.29 -0.04 -0.07 0.00 0.09 0.00 0.00 57.88 58.15 3b3s h LEU 205 Cb -0.08 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.51 3b3s h LEU 205 CO -0.07 0.48 -0.17 0.71 0.09 0.00 0.00 178.44 179.48 3b3s h THR 206 N 0.68 1.22 -0.39 0.22 1.35 -0.43 -0.81 112.91 114.76 3b3s h THR 206 Ca 0.18 -1.01 -0.08 0.00 -0.55 0.00 0.00 66.41 64.95 3b3s h THR 206 Cb 0.01 1.26 -0.02 0.00 -1.73 0.00 0.00 68.15 67.67 3b3s h THR 206 CO -0.03 0.32 -0.10 1.56 -0.25 0.00 0.00 175.52 177.02 3b3s h GLN 207 N 0.33 0.67 -0.74 4.72 4.20 -0.21 -0.34 115.11 123.74 3b3s h GLN 207 Ca 0.06 -0.20 -0.06 0.00 0.06 0.00 0.00 58.65 58.51 3b3s h GLN 207 Cb 0.50 -0.07 -0.03 0.00 0.30 0.00 0.00 27.48 28.18 3b3s h GLN 207 CO 0.03 0.75 0.23 -0.07 -0.67 0.00 0.00 178.83 179.10 3b3s h LEU 208 N 0.61 1.09 -0.27 1.46 3.38 -0.48 -1.65 115.31 119.45 3b3s h LEU 208 Ca 0.11 -0.21 0.02 0.00 0.09 0.00 0.00 57.88 57.89 3b3s h LEU 208 Cb 0.53 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 3b3s h LEU 208 CO 0.03 1.01 0.12 0.24 0.09 0.00 0.00 178.44 179.93 3b3s h MET 209 N 1.11 0.25 -0.64 1.13 2.86 -0.80 0.12 114.93 118.96 3b3s h MET 209 Ca 0.24 -0.01 -0.02 0.00 -2.06 0.00 0.00 59.70 57.84 3b3s h MET 209 Cb 0.31 -0.06 -0.03 0.00 0.06 0.00 0.00 31.60 31.89 3b3s h MET 209 CO -0.01 0.16 0.32 -0.44 1.06 0.00 0.00 176.91 178.01 3b3s h ASP 210 N 0.26 0.81 0.01 1.22 3.32 -0.88 0.46 116.42 121.62 3b3s h ASP 210 Ca 0.11 -0.08 -0.02 0.00 0.02 0.00 0.00 57.03 57.06 3b3s h ASP 210 Cb 0.05 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 39.40 3b3s h ASP 210 CO -0.09 0.68 -0.09 -0.08 -1.72 0.00 0.00 179.24 177.94 3b3s h GLU 211 N 0.90 0.04 0.00 3.56 4.57 -1.07 -3.37 114.58 119.20 3b3s h GLU 211 Ca 0.22 -0.06 -0.05 0.00 -1.18 0.00 0.00 59.36 58.30 3b3s h GLU 211 Cb 0.07 0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.68 3b3s h GLU 211 CO -0.03 1.00 -1.90 0.66 -1.18 0.00 0.00 179.01 177.56 3b3s n TYR 212 N -4.57 0.00 -2.67 0.92 4.01 0.41 -4.57 117.16 110.69 3b3s n TYR 212 Ca -0.10 0.00 -0.18 0.00 -0.16 0.00 0.00 57.90 57.46 3b3s n TYR 212 Cb 0.50 -0.49 0.01 0.00 -0.31 0.00 0.00 39.34 39.05 3b3s n TYR 212 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 3b3s n LEU 213 N -2.22 2.84 0.31 7.72 4.77 0.13 -4.96 117.00 125.59 3b3s n LEU 213 Ca -0.07 -4.57 0.19 0.00 -0.03 0.00 0.00 56.01 51.53 3b3s n LEU 213 Cb 0.57 0.05 0.99 0.00 -2.33 0.00 0.00 43.42 42.70 3b3s n LEU 213 CO 0.39 1.95 1.11 1.55 -1.33 0.00 0.00 177.39 181.06 3b3s h PRO 214 N 2.84 0.00 -0.00 3.23 0.13 -1.66 -1.69 132.00 134.86 3b3s h PRO 214 Ca 0.09 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.22 3b3s h PRO 214 Cb 1.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.13 3b3s h PRO 214 CO 0.66 0.02 -0.15 -1.13 -0.23 0.00 0.00 178.00 177.16 3b3s n SER 215 N -3.33 0.23 -4.87 1.44 3.41 -1.26 -4.86 113.62 104.39 3b3s n SER 215 Ca -0.02 0.02 -0.31 0.00 -0.26 0.00 0.00 58.87 58.30 3b3s n SER 215 Cb 0.14 -0.19 -0.04 0.00 -0.26 0.00 0.00 64.21 63.85 3b3s n SER 215 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3b3s s LEU 216 N -2.85 3.91 0.18 1.04 1.43 -0.64 -5.09 118.68 116.66 3b3s s LEU 216 Ca 0.18 1.19 0.08 0.00 -1.03 0.00 0.00 54.13 54.54 3b3s s LEU 216 Cb 0.19 -4.04 -0.04 0.00 0.03 0.00 0.00 46.19 42.33 3b3s s LEU 216 CO 0.56 -0.33 -0.02 0.42 0.23 0.00 0.00 176.35 177.20 3b3s s THR 217 N -2.23 3.57 0.05 5.49 -4.23 -1.26 -4.99 115.64 112.03 3b3s s THR 217 Ca 0.52 -1.52 -0.02 0.00 -1.18 0.00 0.00 61.69 59.49 3b3s s THR 217 Cb -0.10 -2.80 -0.03 0.00 1.34 0.00 0.00 72.50 70.91 3b3s s THR 217 CO 0.26 -0.13 0.01 -0.72 -0.54 0.00 0.00 174.62 173.50 3b3s s TYR 218 N -1.77 0.39 0.00 3.99 -0.85 -1.26 -1.03 117.35 116.83 3b3s s TYR 218 Ca 0.27 -0.84 0.00 0.00 -0.52 0.00 0.00 57.07 55.98 3b3s s TYR 218 Cb -0.09 -0.29 0.00 0.00 0.38 0.00 0.00 41.96 41.96 3b3s s TYR 218 CO 0.18 -0.36 0.00 0.41 -1.52 0.00 0.00 175.55 174.26 3b3s n GLY 219 N 0.47 4.72 3.08 5.49 0.00 0.01 -4.97 105.19 113.99 3b3s n GLY 219 Ca -0.17 -1.53 -0.10 0.00 0.00 0.00 0.00 46.02 44.22 3b3s n GLY 219 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3b3s s PHE 220 N -1.40 0.16 0.18 1.61 0.40 -1.26 -0.66 117.98 117.01 3b3s s PHE 220 Ca 0.00 -0.39 -0.24 0.00 -0.60 0.00 0.00 56.93 55.70 3b3s s PHE 220 Cb 0.00 -0.13 0.07 0.00 0.51 0.00 0.00 43.02 43.47 3b3s s PHE 220 CO 0.00 -0.30 0.97 0.34 0.70 0.00 0.00 175.22 176.93 3b3s s ASP 221 N -1.75 -0.11 0.20 1.36 -1.08 -0.39 -4.88 116.67 110.02 3b3s s ASP 221 Ca -0.10 -0.53 0.10 0.00 -0.52 0.00 0.00 52.55 51.49 3b3s s ASP 221 Cb -0.05 0.51 -0.04 0.00 -1.46 0.00 0.00 42.92 41.88 3b3s s ASP 221 CO -0.02 -0.98 -0.15 0.42 0.52 0.00 0.00 175.17 174.96 3b3s s THR 222 N -2.89 2.83 0.03 1.71 -4.23 -1.26 -0.58 115.64 111.26 3b3s s THR 222 Ca 0.15 -1.88 -0.17 0.00 -1.18 0.00 0.00 61.69 58.61 3b3s s THR 222 Cb -0.02 -2.40 -0.26 0.00 1.34 0.00 0.00 72.50 71.16 3b3s s THR 222 CO 0.04 -0.16 1.10 0.00 -0.54 0.00 0.00 174.62 175.07 3b3s n GLY 224 N 1.24 0.72 3.82 0.00 0.00 -1.26 -5.01 105.19 104.69 3b3s n GLY 224 Ca -0.12 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.84 3b3s n GLY 224 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3b3s s TYR 225 N -2.59 -0.07 -1.26 1.61 1.13 -1.26 -5.06 117.35 109.85 3b3s s TYR 225 Ca 0.00 -0.38 -0.19 0.00 -1.41 0.00 0.00 57.07 55.09 3b3s s TYR 225 Cb 0.00 0.71 0.01 0.00 -1.10 0.00 0.00 41.96 41.59 3b3s s TYR 225 CO 0.00 -1.13 1.83 0.00 -2.51 0.00 0.00 175.55 173.74 3b3s n ALA 226 N -0.51 3.10 0.19 9.51 0.00 -1.26 -4.77 120.51 126.77 3b3s n ALA 226 Ca -0.05 -3.58 0.12 0.00 0.00 0.00 0.00 53.44 49.92 3b3s n ALA 226 Cb 0.60 -3.57 0.10 0.00 0.00 0.00 0.00 19.45 16.58 3b3s n ALA 226 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3b3s n SER 228 N -2.87 -0.83 0.20 0.00 2.88 -1.26 -5.06 113.62 106.68 3b3s n SER 228 Ca 0.02 -1.67 0.15 0.00 -1.33 0.00 0.00 58.87 56.04 3b3s n SER 228 Cb 0.53 1.41 0.65 0.00 -0.75 0.00 0.00 64.21 66.05 3b3s n SER 228 CO 0.00 0.00 0.00 0.44 -1.23 0.00 0.00 175.04 174.25 3b3s h ASP 229 N 0.79 0.00 -0.84 -3.46 3.32 -1.95 -1.58 116.42 112.70 3b3s h ASP 229 Ca -0.13 0.00 0.16 0.00 0.02 0.00 0.00 57.03 57.08 3b3s h ASP 229 Cb 0.49 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 39.98 3b3s h ASP 229 CO 0.16 0.00 0.55 1.12 -1.72 0.00 0.00 179.24 179.36 3b3s h HIS 230 N 0.00 0.61 0.00 4.55 2.07 -1.91 -1.43 115.15 119.04 3b3s h HIS 230 Ca 0.00 0.02 -0.03 0.00 -2.85 0.00 0.00 60.37 57.51 3b3s h HIS 230 Cb 0.31 -0.19 -0.00 0.00 2.57 0.00 0.00 27.41 30.09 3b3s h HIS 230 CO 0.00 0.21 -0.12 0.00 -3.07 0.00 0.00 177.93 174.95 3b3s h ALA 231 N 1.62 1.80 -0.38 6.11 0.00 -1.48 -0.22 119.26 126.71 3b3s h ALA 231 Ca 0.43 -0.11 -0.10 0.00 0.00 0.00 0.00 54.91 55.13 3b3s h ALA 231 Cb 0.90 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 3b3s h ALA 231 CO -0.17 0.15 -0.14 0.77 0.00 0.00 0.00 179.25 179.87 3b3s h SER 232 N 0.00 0.78 -0.37 0.00 0.02 -1.44 0.63 113.55 113.17 3b3s h SER 232 Ca -0.00 -0.38 -0.05 0.00 -0.84 0.00 0.00 61.79 60.51 3b3s h SER 232 Cb 0.22 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.53 3b3s h SER 232 CO 0.02 0.99 0.02 -0.50 -1.14 0.00 0.00 176.83 176.21 3b3s h TRP 233 N 0.56 0.69 -0.38 3.45 4.06 -1.38 -2.16 115.95 120.79 3b3s h TRP 233 Ca 0.09 -0.11 0.05 0.00 2.06 0.00 0.00 58.89 60.98 3b3s h TRP 233 Cb 0.67 -0.18 -0.05 0.00 -1.00 0.00 0.00 29.16 28.60 3b3s h TRP 233 CO 0.05 0.72 0.12 1.25 -3.56 0.00 0.00 178.44 177.02 3b3s h HIS 234 N 0.46 0.20 -0.22 0.49 2.76 -0.96 -1.13 115.15 116.75 3b3s h HIS 234 Ca 0.11 0.02 -0.04 0.00 -2.20 0.00 0.00 60.37 58.26 3b3s h HIS 234 Cb 0.43 -0.03 -0.01 0.00 1.55 0.00 0.00 27.41 29.34 3b3s h HIS 234 CO 0.03 0.07 -0.05 -0.97 -1.30 0.00 0.00 177.93 175.72 3b3s h ASN 235 N 0.26 0.31 0.23 3.26 -1.24 -0.76 -0.70 115.58 116.95 3b3s h ASN 235 Ca 0.18 -0.05 0.00 0.00 0.71 0.00 0.00 56.30 57.14 3b3s h ASN 235 Cb 0.18 -0.08 0.00 0.00 0.73 0.00 0.00 38.32 39.15 3b3s h ASN 235 CO -0.20 0.41 0.00 0.00 -1.29 0.00 0.00 177.43 176.35 3b3s n ALA 236 N -2.49 2.56 -0.18 1.57 0.00 -0.82 -4.90 120.51 116.25 3b3s n ALA 236 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.27 3b3s n ALA 236 Cb 0.23 -1.49 0.00 0.00 0.00 0.00 0.00 19.45 18.19 3b3s n ALA 236 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3b3s n GLY 237 N 1.04 0.90 3.79 0.00 0.00 -0.27 -5.00 105.19 105.64 3b3s n GLY 237 Ca 0.19 -0.09 -0.29 0.00 0.00 0.00 0.00 46.02 45.83 3b3s n GLY 237 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3b3s s TYR 238 N -2.00 3.19 0.11 1.61 2.02 -0.48 -5.02 117.35 116.79 3b3s s TYR 238 Ca 0.00 0.06 -0.31 0.00 -0.37 0.00 0.00 57.07 56.45 3b3s s TYR 238 Cb 0.00 -1.60 -0.09 0.00 -0.40 0.00 0.00 41.96 39.88 3b3s s TYR 238 CO 0.00 0.52 1.53 -2.14 -1.57 0.00 0.00 175.55 173.89 3b3s s PRO 239 N -2.58 4.24 0.14 -1.71 0.02 -1.26 -3.81 135.00 130.05 3b3s s PRO 239 Ca 0.30 2.24 0.05 0.00 0.02 0.00 0.00 61.00 63.60 3b3s s PRO 239 Cb -0.12 -3.34 -0.04 0.00 0.02 0.00 0.00 34.50 31.02 3b3s s PRO 239 CO 0.23 -0.59 -0.11 0.00 -0.33 0.00 0.00 177.00 176.20 3b3s s ALA 240 N 1.66 1.42 0.08 -1.55 0.00 -1.26 -0.83 121.76 121.29 3b3s s ALA 240 Ca 0.69 -1.44 -0.16 0.00 0.00 0.00 0.00 51.96 51.06 3b3s s ALA 240 Cb -0.40 0.03 0.03 0.00 0.00 0.00 0.00 23.12 22.78 3b3s s ALA 240 CO 0.31 -0.07 0.37 0.00 0.00 0.00 0.00 175.76 176.37 3b3s s ALA 241 N -3.09 -0.85 -0.29 0.00 0.00 -0.65 -0.54 121.76 116.34 3b3s s ALA 241 Ca 0.15 0.03 -0.00 0.00 0.00 0.00 0.00 51.96 52.14 3b3s s ALA 241 Cb 0.01 0.49 0.14 0.00 0.00 0.00 0.00 23.12 23.76 3b3s s ALA 241 CO 0.01 -0.52 0.31 1.41 0.00 0.00 0.00 175.76 176.96 3b3s s MET 242 N -3.12 0.34 -0.09 0.00 1.75 -1.26 -0.83 119.30 116.09 3b3s s MET 242 Ca -0.01 -0.12 -0.30 0.00 -1.25 0.00 0.00 55.69 54.01 3b3s s MET 242 Cb 0.01 -0.61 -0.03 0.00 2.84 0.00 0.00 34.83 37.04 3b3s s MET 242 CO -0.07 -1.03 1.25 -1.25 -0.65 0.00 0.00 175.02 173.27 3b3s s PRO 243 N 2.37 4.30 0.29 4.11 0.04 -1.25 -1.30 135.00 143.56 3b3s s PRO 243 Ca 0.09 1.71 0.11 0.00 0.04 0.00 0.00 61.00 62.96 3b3s s PRO 243 Cb -0.14 -3.64 -0.05 0.00 0.04 0.00 0.00 34.50 30.72 3b3s s PRO 243 CO -0.32 -0.55 -0.17 0.12 0.04 0.00 0.00 177.00 176.12 3b3s s PHE 244 N 2.69 2.34 0.37 0.56 5.36 0.89 -4.64 117.98 125.55 3b3s s PHE 244 Ca 0.57 -0.35 0.27 0.00 -0.96 0.00 0.00 56.93 56.46 3b3s s PHE 244 Cb -0.25 -1.07 1.38 0.00 -0.34 0.00 0.00 43.02 42.74 3b3s s PHE 244 CO 0.20 0.69 2.04 1.05 -1.46 0.00 0.00 175.22 177.74 3b3s h GLU 245 N 2.20 0.00 -2.63 10.12 4.11 -1.75 -1.18 114.58 125.45 3b3s h GLU 245 Ca -0.41 0.00 0.12 0.00 0.07 0.00 0.00 59.36 59.14 3b3s h GLU 245 Cb 1.26 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.48 3b3s h GLU 245 CO 0.62 0.13 0.50 -1.54 0.07 0.00 0.00 179.01 178.79 3b3s s SER 246 N -6.15 -0.02 0.72 3.06 1.04 -1.26 -4.24 113.70 106.85 3b3s s SER 246 Ca -0.02 -0.75 -0.16 0.00 0.48 0.00 0.00 55.95 55.50 3b3s s SER 246 Cb 0.13 0.58 0.03 0.00 0.10 0.00 0.00 66.02 66.86 3b3s s SER 246 CO 0.59 -1.15 1.24 -0.54 0.98 0.00 0.00 173.24 174.36 3b3s s LYS 247 N -2.35 2.18 0.27 4.02 -0.14 -1.26 -4.66 119.74 117.81 3b3s s LYS 247 Ca 0.19 1.87 -0.00 0.00 -1.36 0.00 0.00 55.97 56.67 3b3s s LYS 247 Cb -0.03 -1.82 0.39 0.00 -1.68 0.00 0.00 37.83 34.68 3b3s s LYS 247 CO 0.06 -1.83 1.77 0.35 -0.76 0.00 0.00 175.35 174.94 3b3s h PHE 248 N -0.12 0.73 0.00 3.18 3.57 -1.95 -0.60 116.94 121.76 3b3s h PHE 248 Ca -0.49 -0.11 0.00 0.00 3.53 0.00 0.00 57.97 60.90 3b3s h PHE 248 Cb 1.31 -0.20 0.00 0.00 2.79 0.00 0.00 35.95 39.85 3b3s h PHE 248 CO 0.45 0.73 0.00 -1.71 -2.23 0.00 0.00 178.31 175.55 3b3s n ASN 249 N -4.20 0.06 -0.51 0.41 4.05 -1.26 -3.02 115.26 110.79 3b3s n ASN 249 Ca 0.02 0.52 0.05 0.00 0.45 0.00 0.00 54.58 55.62 3b3s n ASN 249 Cb 0.32 -0.53 0.09 0.00 1.23 0.00 0.00 39.78 40.89 3b3s n ASN 249 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 177.26 174.68 3b3s n ASP 250 N -1.57 2.32 -4.70 1.20 8.00 -0.25 -5.06 116.55 116.49 3b3s n ASP 250 Ca 0.03 -1.68 -0.30 0.00 0.71 0.00 0.00 54.79 53.55 3b3s n ASP 250 Cb 0.18 -0.10 0.15 0.00 -0.02 0.00 0.00 41.12 41.33 3b3s n ASP 250 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 3b3s s TYR 251 N -0.94 2.16 -0.38 1.24 -0.85 -1.11 -4.40 117.35 113.07 3b3s s TYR 251 Ca 0.17 1.37 -0.40 0.00 -0.52 0.00 0.00 57.07 57.68 3b3s s TYR 251 Cb 0.10 -3.16 -0.15 0.00 0.38 0.00 0.00 41.96 39.12 3b3s s TYR 251 CO 0.14 -2.52 1.99 -1.71 -1.52 0.00 0.00 175.55 171.93 3b3s n ASN 252 N -3.98 1.76 0.00 -0.18 4.05 -1.26 -4.81 115.26 110.84 3b3s n ASN 252 Ca 0.08 0.76 0.06 0.00 0.45 0.00 0.00 54.58 55.93 3b3s n ASN 252 Cb 0.54 -1.09 0.29 0.00 1.23 0.00 0.00 39.78 40.75 3b3s n ASN 252 CO 0.00 0.00 0.00 -0.81 -3.05 0.00 0.00 177.26 173.40 3b3s n PRO 253 N 6.77 0.01 0.00 1.20 -0.04 -1.26 -2.07 135.00 139.61 3b3s n PRO 253 Ca 0.39 0.26 0.13 0.00 -0.04 0.00 0.00 63.50 64.24 3b3s n PRO 253 Cb 0.10 -1.50 0.29 0.00 -0.04 0.00 0.00 33.50 32.35 3b3s n PRO 253 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3b3s n ARG 254 N -1.48 1.26 -1.71 0.54 1.74 -1.26 -4.95 116.66 110.80 3b3s n ARG 254 Ca 0.03 -0.87 -0.41 0.00 -0.77 0.00 0.00 57.85 55.84 3b3s n ARG 254 Cb 0.15 -1.48 0.01 0.00 -1.02 0.00 0.00 32.46 30.13 3b3s n ARG 254 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 3b3s n ILE 255 N -0.11 2.64 -2.24 0.55 5.41 -0.88 -1.89 119.36 122.85 3b3s n ILE 255 Ca 0.13 -0.50 -0.16 0.00 1.00 0.00 0.00 62.75 63.22 3b3s n ILE 255 Cb 0.41 -1.59 -0.01 0.00 -0.71 0.00 0.00 39.64 37.73 3b3s n ILE 255 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 176.55 177.96 3b3s n HIS 256 N -0.26 -0.71 -4.36 1.39 8.25 -1.26 -5.00 115.22 113.27 3b3s n HIS 256 Ca 0.07 0.00 -0.19 0.00 -0.26 0.00 0.00 57.72 57.33 3b3s n HIS 256 Cb 0.40 -3.29 -0.09 0.00 1.12 0.00 0.00 29.99 28.12 3b3s n HIS 256 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 3b3s s THR 257 N -2.80 0.49 -0.36 1.59 -4.23 -0.79 -4.38 115.64 105.15 3b3s s THR 257 Ca 0.00 -2.00 0.22 0.00 -1.18 0.00 0.00 61.69 58.73 3b3s s THR 257 Cb 0.00 -2.55 0.23 0.00 1.34 0.00 0.00 72.50 71.52 3b3s s THR 257 CO 0.00 0.00 1.67 0.35 -0.54 0.00 0.00 174.62 176.10 3b3s n THR 258 N -0.60 0.95 -0.54 3.99 -2.24 -1.25 -2.41 114.28 112.18 3b3s n THR 258 Ca -0.00 0.47 0.09 0.00 -2.27 0.00 0.00 64.05 62.34 3b3s n THR 258 Cb 0.65 -1.44 0.30 0.00 -2.10 0.00 0.00 70.33 67.75 3b3s n THR 258 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3b3s n GLN 259 N -2.23 3.32 -2.25 -0.78 1.13 -1.26 -4.56 117.38 110.75 3b3s n GLN 259 Ca 0.00 -2.68 -0.39 0.00 -1.94 0.00 0.00 57.00 51.99 3b3s n GLN 259 Cb 0.13 -1.71 -0.02 0.00 0.11 0.00 0.00 30.24 28.75 3b3s n GLN 259 CO 0.00 0.00 0.00 -3.47 -1.44 0.00 0.00 177.06 172.15 3b3s n ASP 260 N 0.86 4.18 -4.66 1.08 2.03 -1.01 -4.73 116.55 114.30 3b3s n ASP 260 Ca 0.22 -2.84 -0.23 0.00 0.52 0.00 0.00 54.79 52.46 3b3s n ASP 260 Cb 0.76 -1.69 -0.07 0.00 -0.72 0.00 0.00 41.12 39.39 3b3s n ASP 260 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 3b3s s THR 261 N 5.84 3.07 0.27 5.18 -4.23 -1.26 -0.62 115.64 123.89 3b3s s THR 261 Ca 0.57 -1.88 -0.02 0.00 -1.18 0.00 0.00 61.69 59.18 3b3s s THR 261 Cb 0.05 -2.85 0.27 0.00 1.34 0.00 0.00 72.50 71.31 3b3s s THR 261 CO 0.07 -0.27 1.89 0.25 -0.54 0.00 0.00 174.62 176.03 3b3s h LEU 262 N 1.78 1.04 -1.65 4.79 5.85 -1.91 -1.45 115.31 123.76 3b3s h LEU 262 Ca -0.44 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.29 3b3s h LEU 262 Cb 1.25 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 42.05 3b3s h LEU 262 CO 0.63 0.68 0.20 0.00 -0.34 0.00 0.00 178.44 179.60 3b3s h ALA 263 N 1.45 1.74 -0.00 1.25 0.00 -1.95 -2.02 119.26 119.73 3b3s h ALA 263 Ca 0.42 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.29 3b3s h ALA 263 Cb 0.13 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3b3s h ALA 263 CO -0.16 0.23 -0.29 0.09 0.00 0.00 0.00 179.25 179.13 3b3s n ASN 264 N -4.47 0.76 0.00 0.00 3.02 -0.60 -4.61 115.26 109.36 3b3s n ASN 264 Ca 0.02 -0.62 0.00 0.00 -0.03 0.00 0.00 54.58 53.95 3b3s n ASN 264 Cb 0.08 0.11 0.00 0.00 -0.61 0.00 0.00 39.78 39.35 3b3s n ASN 264 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 3b3s n SER 265 N -0.95 0.00 -3.90 6.41 3.41 -0.77 -4.93 113.62 112.89 3b3s n SER 265 Ca 0.11 0.00 -0.30 0.00 -0.26 0.00 0.00 58.87 58.42 3b3s n SER 265 Cb 0.33 0.00 -0.14 0.00 -0.26 0.00 0.00 64.21 64.14 3b3s n SER 265 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3b3s s ASP 266 N -0.67 4.25 0.00 4.04 2.15 -0.54 -4.93 116.67 120.97 3b3s s ASP 266 Ca 0.00 -2.67 0.11 0.00 0.43 0.00 0.00 52.55 50.42 3b3s s ASP 266 Cb 0.00 -1.46 0.53 0.00 -0.30 0.00 0.00 42.92 41.69 3b3s s ASP 266 CO 0.00 -0.28 1.32 -0.81 -0.17 0.00 0.00 175.17 175.23 3b3s n PRO 267 N 3.54 0.07 0.10 4.34 -0.04 -1.16 -0.67 135.00 141.18 3b3s n PRO 267 Ca 0.05 0.25 0.12 0.00 -0.04 0.00 0.00 63.50 63.88 3b3s n PRO 267 Cb 0.35 -1.50 0.26 0.00 -0.04 0.00 0.00 33.50 32.57 3b3s n PRO 267 CO 0.00 0.00 0.00 1.79 -0.04 0.00 0.00 175.50 177.25 3b3s h THR 268 N 0.00 0.00 -0.00 0.52 1.35 -1.92 -3.48 112.91 109.37 3b3s h THR 268 Ca 0.00 -0.58 -0.00 0.00 -0.55 0.00 0.00 66.41 65.28 3b3s h THR 268 Cb 0.16 1.38 -0.00 0.00 -1.73 0.00 0.00 68.15 67.95 3b3s h THR 268 CO 0.00 0.00 -0.00 0.61 -0.25 0.00 0.00 175.52 175.88 3b3s n GLY 269 N 1.29 0.29 0.23 5.82 0.00 0.15 -4.72 105.19 108.25 3b3s n GLY 269 Ca 0.04 -0.01 -0.02 0.00 0.00 0.00 0.00 46.02 46.03 3b3s n GLY 269 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3b3s h SER 270 N 0.00 0.37 0.12 1.61 4.64 -1.92 -0.27 113.55 118.10 3b3s h SER 270 Ca -0.00 -0.12 -0.01 0.00 -0.47 0.00 0.00 61.79 61.19 3b3s h SER 270 Cb 0.43 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 62.42 3b3s h SER 270 CO 0.00 0.64 -0.06 -0.74 -0.87 0.00 0.00 176.83 175.81 3b3s h HIS 271 N 0.33 -0.15 -0.32 4.77 6.17 -1.89 -3.03 115.15 121.02 3b3s h HIS 271 Ca 0.05 -0.00 0.01 0.00 0.71 0.00 0.00 60.37 61.13 3b3s h HIS 271 Cb 0.65 0.05 -0.02 0.00 2.52 0.00 0.00 27.41 30.62 3b3s h HIS 271 CO 0.02 0.25 0.21 0.00 0.71 0.00 0.00 177.93 179.12 3b3s h ALA 272 N 0.17 1.80 -0.70 5.26 0.00 -1.34 -1.00 119.26 123.45 3b3s h ALA 272 Ca -0.02 -0.02 0.08 0.00 0.00 0.00 0.00 54.91 54.96 3b3s h ALA 272 Cb 0.47 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.10 3b3s h ALA 272 CO 0.03 0.18 0.46 -0.22 0.00 0.00 0.00 179.25 179.70 3b3s h LYS 273 N 0.42 0.61 -0.47 0.00 3.64 -0.93 -0.79 116.57 119.05 3b3s h LYS 273 Ca 0.12 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.45 3b3s h LYS 273 Cb -0.02 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 31.65 3b3s h LYS 273 CO -0.03 0.40 0.24 0.87 -2.27 0.00 0.00 179.45 178.67 3b3s h LYS 274 N 0.63 0.68 -0.31 1.90 1.57 -1.10 0.24 116.57 120.16 3b3s h LYS 274 Ca 0.31 -0.09 -0.11 0.00 -1.87 0.00 0.00 60.65 58.89 3b3s h LYS 274 Cb 0.40 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.57 3b3s h LYS 274 CO -0.10 0.56 -0.26 0.74 -0.57 0.00 0.00 179.45 179.82 3b3s h PHE 275 N 0.62 0.71 -0.36 -1.35 -1.00 -1.41 -0.90 116.94 113.26 3b3s h PHE 275 Ca 0.16 -0.16 -0.01 0.00 2.81 0.00 0.00 57.97 60.77 3b3s h PHE 275 Cb 0.09 -0.17 -0.02 0.00 3.61 0.00 0.00 35.95 39.47 3b3s h PHE 275 CO -0.01 0.82 0.18 1.15 -1.61 0.00 0.00 178.31 178.84 3b3s h THR 276 N 0.55 1.16 -0.68 -1.55 2.02 -0.87 0.04 112.91 113.57 3b3s h THR 276 Ca 0.07 -0.44 -0.03 0.00 0.77 0.00 0.00 66.41 66.78 3b3s h THR 276 Cb 0.73 0.80 -0.03 0.00 -1.74 0.00 0.00 68.15 67.90 3b3s h THR 276 CO 0.06 0.17 0.29 1.56 0.37 0.00 0.00 175.52 177.96 3b3s h GLN 277 N 0.44 1.00 -0.39 6.66 4.20 -0.59 0.73 115.11 127.16 3b3s h GLN 277 Ca 0.12 -0.17 0.00 0.00 0.06 0.00 0.00 58.65 58.67 3b3s h GLN 277 Cb 0.10 -0.17 -0.02 0.00 0.30 0.00 0.00 27.48 27.69 3b3s h GLN 277 CO -0.02 0.82 0.25 1.25 -0.67 0.00 0.00 178.83 180.46 3b3s h LEU 278 N 0.96 0.46 -1.35 1.46 5.85 -1.05 -0.60 115.31 121.04 3b3s h LEU 278 Ca 0.23 -0.03 -0.03 0.00 0.84 0.00 0.00 57.88 58.89 3b3s h LEU 278 Cb 0.17 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.07 3b3s h LEU 278 CO -0.02 0.35 0.07 1.23 -0.34 0.00 0.00 178.44 179.73 3b3s h GLY 279 N 0.53 0.55 0.83 3.75 0.00 -0.65 -0.40 103.07 107.67 3b3s h GLY 279 Ca 0.14 -0.29 -0.08 0.00 0.00 0.00 0.00 47.33 47.10 3b3s h GLY 279 CO -0.03 0.27 -0.21 -2.00 0.00 0.00 0.00 176.54 174.58 3b3s h LEU 280 N 0.50 0.52 -0.75 3.11 5.85 -0.58 -0.41 115.31 123.55 3b3s h LEU 280 Ca 0.12 -0.48 0.04 0.00 0.84 0.00 0.00 57.88 58.39 3b3s h LEU 280 Cb 0.22 -0.15 -0.05 0.00 0.37 0.00 0.00 40.66 41.05 3b3s h LEU 280 CO -0.00 0.90 0.46 0.00 -0.34 0.00 0.00 178.44 179.46 3b3s h ALA 281 N 0.64 0.99 -0.29 1.25 0.00 -0.79 -0.68 119.26 120.38 3b3s h ALA 281 Ca 0.03 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.93 3b3s h ALA 281 Cb 0.75 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 3b3s h ALA 281 CO 0.05 0.23 0.18 -0.92 0.00 0.00 0.00 179.25 178.79 3b3s h TYR 282 N 0.89 0.33 -0.74 0.00 3.20 -0.94 0.22 116.97 119.93 3b3s h TYR 282 Ca 0.31 0.01 -0.03 0.00 3.14 0.00 0.00 58.73 62.16 3b3s h TYR 282 Cb 0.07 -0.11 -0.03 0.00 1.54 0.00 0.00 36.73 38.19 3b3s h TYR 282 CO -0.04 0.20 0.36 0.00 -1.64 0.00 0.00 178.16 177.04 3b3s h ALA 283 N 1.12 0.95 0.05 1.82 0.00 -0.50 0.16 119.26 122.85 3b3s h ALA 283 Ca 0.11 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 3b3s h ALA 283 Cb -0.02 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.48 3b3s h ALA 283 CO -0.04 0.51 -0.02 0.82 0.00 0.00 0.00 179.25 180.52 3b3s h ILE 284 N 1.04 1.23 0.06 0.00 2.04 -0.95 0.14 117.51 121.06 3b3s h ILE 284 Ca 0.25 -0.96 -0.00 0.00 1.00 0.00 0.00 64.86 65.15 3b3s h ILE 284 Cb 0.11 1.86 0.00 0.00 -0.74 0.00 0.00 36.82 38.05 3b3s h ILE 284 CO -0.03 0.24 -0.03 -0.33 0.00 0.00 0.00 178.15 178.00 3b3s h GLU 285 N -0.50 -0.08 -0.10 2.37 4.39 -0.84 -2.07 114.58 117.75 3b3s h GLU 285 Ca -0.01 0.01 -0.13 0.00 0.34 0.00 0.00 59.36 59.57 3b3s h GLU 285 Cb 0.44 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.10 3b3s h GLU 285 CO 0.01 0.26 -0.49 0.52 -1.16 0.00 0.00 179.01 178.14 3b3s h MET 286 N -0.42 0.26 0.00 2.33 2.86 -0.79 -2.18 114.93 117.00 3b3s h MET 286 Ca -0.01 -0.15 0.00 0.00 -2.06 0.00 0.00 59.70 57.48 3b3s h MET 286 Cb 0.37 0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.04 3b3s h MET 286 CO 0.01 0.70 0.00 0.78 1.06 0.00 0.00 176.91 179.47 3b3s h GLY 287 N 1.32 0.00 0.18 8.32 0.00 -0.96 -3.15 103.07 108.77 3b3s h GLY 287 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.34 3b3s h GLY 287 CO 0.08 0.00 -1.70 1.44 0.00 0.00 0.00 176.54 176.36 3b3s n SER 288 N -2.94 0.26 -4.84 0.19 7.64 -0.78 -0.76 113.62 112.38 3b3s n SER 288 Ca 0.02 -0.06 -0.32 0.00 1.01 0.00 0.00 58.87 59.51 3b3s n SER 288 Cb 0.33 1.60 -0.03 0.00 -1.01 0.00 0.00 64.21 65.10 3b3s n SER 288 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3b3s s ALA 289 N -3.43 3.07 0.05 -0.43 0.00 -0.86 -4.73 121.76 115.44 3b3s s ALA 289 Ca -0.05 0.18 -0.03 0.00 0.00 0.00 0.00 51.96 52.06 3b3s s ALA 289 Cb 0.14 -3.12 -0.02 0.00 0.00 0.00 0.00 23.12 20.12 3b3s s ALA 289 CO 0.88 -0.23 0.04 0.95 0.00 0.00 0.00 175.76 177.41 3b3s s THR 290 N -2.62 0.17 0.00 0.00 -4.23 -1.26 -4.47 115.64 103.24 3b3s s THR 290 Ca 0.59 -1.40 0.00 0.00 -1.18 0.00 0.00 61.69 59.70 3b3s s THR 290 Cb -0.10 -1.18 0.00 0.00 1.34 0.00 0.00 72.50 72.56 3b3s s THR 290 CO 0.31 -0.77 0.00 0.61 -0.54 0.00 0.00 174.62 174.23