#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3din n PHE 9 N 0.00 0.00 -0.17 0.00 3.72 -1.26 -4.46 117.46 115.29 3din n PHE 9 Ca 0.00 0.00 -0.08 0.00 -0.05 0.00 0.00 57.45 57.32 3din n PHE 9 Cb 0.00 -0.81 0.01 0.00 -0.94 0.00 0.00 39.48 37.74 3din n PHE 9 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 176.76 176.49 3din h LYS 10 N 0.00 0.72 -6.07 -1.08 3.64 -2.10 -3.47 116.57 108.21 3din h LYS 10 Ca -0.46 -0.13 -0.31 0.00 -1.27 0.00 0.00 60.65 58.48 3din h LYS 10 Cb 1.87 -0.12 0.05 0.00 -0.41 0.00 0.00 32.23 33.62 3din h LYS 10 CO -0.02 0.64 -0.70 -0.89 -2.27 0.00 0.00 179.45 176.21 3din n ILE 11 N -4.57 -6.65 -1.14 2.00 5.41 -1.26 -4.88 119.36 108.26 3din n ILE 11 Ca 0.01 -0.54 -0.38 0.00 1.00 0.00 0.00 62.75 62.85 3din n ILE 11 Cb 0.15 -4.85 0.03 0.00 -0.71 0.00 0.00 39.64 34.25 3din n ILE 11 CO 0.00 0.00 0.00 -2.65 0.00 0.00 0.00 176.55 173.90 3din n PRO 12 N -3.06 0.01 0.00 0.38 -0.02 -1.26 -4.73 135.00 126.33 3din n PRO 12 Ca -0.12 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.36 3din n PRO 12 Cb 0.59 -1.03 0.00 0.00 -0.02 0.00 0.00 33.50 33.04 3din n PRO 12 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 3din n GLU 13 N 1.86 0.00 -1.51 -0.52 0.00 -1.26 -5.08 120.64 114.12 3din n GLU 13 Ca 0.04 0.00 -0.21 0.00 0.00 0.00 0.00 57.16 56.99 3din n GLU 13 Cb 0.51 0.00 -0.19 0.00 0.00 0.00 0.00 31.44 31.76 3din n GLU 13 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.13 178.60 3din n LEU 14 N 0.00 -0.71 0.00 4.31 -0.00 -1.26 -4.72 117.00 114.62 3din n LEU 14 Ca 0.00 -0.74 0.06 0.00 -0.00 0.00 0.00 56.01 55.33 3din n LEU 14 Cb 0.00 -0.79 0.35 0.00 -0.00 0.00 0.00 43.42 42.98 3din n LEU 14 CO 0.00 -1.68 0.63 -1.14 -0.00 0.00 0.00 177.39 175.19 3din n ARG 15 N 6.30 0.75 -0.01 1.47 3.00 -1.26 -3.20 116.66 123.71 3din n ARG 15 Ca 0.63 0.00 -0.01 0.00 -0.00 0.00 0.00 57.85 58.48 3din n ARG 15 Cb 0.20 -1.24 -0.01 0.00 0.00 0.00 0.00 32.46 31.41 3din n ARG 15 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.63 177.23 3din n ASP 16 N -0.74 4.65 0.00 6.15 5.75 -1.26 -4.77 116.55 126.32 3din n ASP 16 Ca 0.09 -0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.87 3din n ASP 16 Cb 0.04 0.48 0.00 0.00 -1.03 0.00 0.00 41.12 40.61 3din n ASP 16 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3din n ARG 17 N -2.09 0.00 0.27 0.11 5.12 -1.20 -1.77 116.66 117.11 3din n ARG 17 Ca -0.02 0.00 0.14 0.00 -1.93 0.00 0.00 57.85 56.04 3din n ARG 17 Cb 0.53 -0.48 0.66 0.00 -1.16 0.00 0.00 32.46 32.02 3din n ARG 17 CO 0.00 0.00 0.00 0.82 -1.93 0.00 0.00 177.63 176.52 3din h ILE 18 N 0.00 0.06 0.00 0.55 5.03 -1.92 -2.58 117.51 118.65 3din h ILE 18 Ca 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 64.86 64.74 3din h ILE 18 Cb 0.00 0.53 0.00 0.00 -3.03 0.00 0.00 36.82 34.32 3din h ILE 18 CO 0.00 0.00 0.00 -0.38 -0.68 0.00 0.00 178.15 177.09 3din n ILE 19 N -2.97 0.00 0.27 -0.67 2.08 -0.73 -1.55 119.36 115.79 3din n ILE 19 Ca 0.01 1.26 0.12 0.00 0.56 0.00 0.00 62.75 64.69 3din n ILE 19 Cb 0.56 -2.21 0.76 0.00 -0.75 0.00 0.00 39.64 38.00 3din n ILE 19 CO 0.00 0.00 0.00 2.19 0.56 0.00 0.00 176.55 179.30 3din h PHE 20 N 0.00 0.00 0.92 1.39 -5.15 -1.22 -1.93 116.94 110.95 3din h PHE 20 Ca 0.00 0.00 -0.04 0.00 -0.20 0.00 0.00 57.97 57.73 3din h PHE 20 Cb 0.00 0.00 0.01 0.00 0.22 0.00 0.00 35.95 36.18 3din h PHE 20 CO 0.06 0.05 -0.44 1.15 -2.00 0.00 0.00 178.31 177.13 3din h THR 21 N 0.00 0.09 -0.58 0.88 2.02 -1.41 0.12 112.91 114.03 3din h THR 21 Ca -0.00 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.14 3din h THR 21 Cb 0.12 0.09 -0.03 0.00 -1.74 0.00 0.00 68.15 66.60 3din h THR 21 CO 0.01 0.00 0.21 -0.26 0.37 0.00 0.00 175.52 175.85 3din h PHE 22 N -1.24 0.90 -0.96 3.16 0.05 -1.09 -2.43 116.94 115.33 3din h PHE 22 Ca -0.13 -0.08 0.07 0.00 3.82 0.00 0.00 57.97 61.66 3din h PHE 22 Cb 0.95 -0.26 -0.07 0.00 2.00 0.00 0.00 35.95 38.57 3din h PHE 22 CO -0.01 0.73 0.61 -0.07 -0.18 0.00 0.00 178.31 179.39 3din h LEU 23 N 0.80 0.96 -0.01 1.54 3.38 -1.31 -2.37 115.31 118.30 3din h LEU 23 Ca 0.19 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.18 3din h LEU 23 Cb 0.23 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.79 3din h LEU 23 CO -0.01 0.60 0.00 0.00 0.09 0.00 0.00 178.44 179.12 3din h ALA 24 N 1.45 0.01 -0.92 1.53 0.00 -0.30 -2.61 119.26 118.42 3din h ALA 24 Ca 0.42 0.00 0.08 0.00 0.00 0.00 0.00 54.91 55.42 3din h ALA 24 Cb 0.21 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 17.94 3din h ALA 24 CO -0.19 -0.49 0.59 -0.07 0.00 0.00 0.00 179.25 179.09 3din h LEU 25 N 0.01 0.88 0.71 0.00 3.38 -1.02 -2.61 115.31 116.66 3din h LEU 25 Ca 0.00 0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 3din h LEU 25 Cb 0.00 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.58 3din h LEU 25 CO -0.00 0.54 -0.40 0.40 0.09 0.00 0.00 178.44 179.07 3din h ILE 26 N 0.99 0.00 -0.78 1.22 2.04 -1.09 -2.65 117.51 117.23 3din h ILE 26 Ca 0.41 0.00 0.14 0.00 1.00 0.00 0.00 64.86 66.41 3din h ILE 26 Cb 0.29 0.00 -0.05 0.00 -0.74 0.00 0.00 36.82 36.32 3din h ILE 26 CO -0.17 0.00 0.52 0.58 0.00 0.00 0.00 178.15 179.08 3din h VAL 27 N -1.03 0.82 0.00 1.67 2.07 -1.34 -2.06 116.25 116.38 3din h VAL 27 Ca -0.10 -0.18 -0.12 0.00 0.82 0.00 0.00 66.70 67.12 3din h VAL 27 Cb 0.81 0.26 -0.02 0.00 -1.52 0.00 0.00 31.29 30.83 3din h VAL 27 CO 0.12 0.09 -0.59 -0.26 0.02 0.00 0.00 177.57 176.95 3din h PHE 28 N 0.52 0.00 0.42 1.57 -1.00 -1.40 -2.14 116.94 114.90 3din h PHE 28 Ca 0.38 0.00 -0.02 0.00 2.81 0.00 0.00 57.97 61.14 3din h PHE 28 Cb 0.76 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.32 3din h PHE 28 CO -0.00 0.59 -0.20 0.00 -1.61 0.00 0.00 178.31 177.09 3din h ARG 29 N 0.00 -0.54 -0.55 1.51 3.08 -1.00 -2.08 114.38 114.80 3din h ARG 29 Ca -0.01 0.04 -0.04 0.00 0.07 0.00 0.00 59.98 60.05 3din h ARG 29 Cb 1.19 0.12 -0.03 0.00 0.08 0.00 0.00 29.97 31.33 3din h ARG 29 CO 0.08 -0.27 0.20 0.52 -1.07 0.00 0.00 179.97 179.42 3din h MET 30 N -0.73 0.81 -1.00 0.04 2.86 -1.63 -2.94 114.93 112.34 3din h MET 30 Ca -0.06 -0.13 0.08 0.00 -2.06 0.00 0.00 59.70 57.53 3din h MET 30 Cb 0.52 -0.14 -0.07 0.00 0.06 0.00 0.00 31.60 31.96 3din h MET 30 CO 0.09 0.69 0.64 0.78 1.06 0.00 0.00 176.91 180.17 3din h GLY 31 N 0.94 1.56 0.22 8.32 0.00 -1.16 -2.53 103.07 110.42 3din h GLY 31 Ca 0.19 -0.46 -0.09 0.00 0.00 0.00 0.00 47.33 46.97 3din h GLY 31 CO -0.01 0.28 -0.41 -2.22 0.00 0.00 0.00 176.54 174.18 3din h ILE 32 N 1.12 1.60 0.00 2.60 2.04 -1.24 -3.29 117.51 120.35 3din h ILE 32 Ca 0.45 -2.39 0.00 0.00 1.00 0.00 0.00 64.86 63.92 3din h ILE 32 Cb 0.27 3.21 0.00 0.00 -0.74 0.00 0.00 36.82 39.55 3din h ILE 32 CO -0.20 0.62 0.00 -1.22 0.00 0.00 0.00 178.15 177.35 3din n TYR 33 N -4.42 0.00 -1.64 1.37 4.02 -1.12 -4.37 117.16 110.99 3din n TYR 33 Ca -0.14 0.00 -0.43 0.00 -0.01 0.00 0.00 57.90 57.33 3din n TYR 33 Cb 0.62 -0.03 -0.00 0.00 -0.02 0.00 0.00 39.34 39.91 3din n TYR 33 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 176.86 174.96 3din n ILE 34 N -0.20 2.19 -2.69 -0.72 5.41 -0.96 -4.96 119.36 117.43 3din n ILE 34 Ca 0.00 -0.50 -0.40 0.00 1.00 0.00 0.00 62.75 62.85 3din n ILE 34 Cb 0.07 -1.29 -0.05 0.00 -0.71 0.00 0.00 39.64 37.66 3din n ILE 34 CO 0.00 0.00 0.00 -2.84 0.00 0.00 0.00 176.55 173.71 3din s PRO 35 N -1.87 4.77 0.00 0.38 0.02 -1.26 -3.70 135.00 133.34 3din s PRO 35 Ca 0.59 1.54 0.00 0.00 0.02 0.00 0.00 61.00 63.15 3din s PRO 35 Cb -0.59 -3.29 0.00 0.00 0.02 0.00 0.00 34.50 30.63 3din s PRO 35 CO 0.60 0.37 0.00 0.28 -0.33 0.00 0.00 177.00 177.92 3din n VAL 36 N 1.85 0.00 0.00 3.83 0.31 -1.26 -4.87 118.33 118.19 3din n VAL 36 Ca -0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 3din n VAL 36 Cb 0.47 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.40 3din n VAL 36 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 3din n PRO 37 N 0.00 0.00 -3.66 5.55 -0.04 -1.26 -4.89 135.00 130.70 3din n PRO 37 Ca 0.00 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.17 3din n PRO 37 Cb 0.00 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.40 3din n PRO 37 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3din n GLY 38 N 4.07 -0.24 0.62 0.55 0.00 -1.24 -4.70 105.19 104.25 3din n GLY 38 Ca 0.00 0.06 0.44 0.00 0.00 0.00 0.00 46.02 46.52 3din n GLY 38 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3din n LEU 39 N -3.08 0.00 -3.78 0.99 7.99 -1.26 -3.78 117.00 114.07 3din n LEU 39 Ca 0.03 0.86 -0.29 0.00 -0.01 0.00 0.00 56.01 56.60 3din n LEU 39 Cb 0.35 -0.40 -0.16 0.00 -0.11 0.00 0.00 43.42 43.09 3din n LEU 39 CO 0.66 -0.86 -0.37 0.20 -1.51 0.00 0.00 177.39 175.51 3din s ASN 40 N -3.75 3.35 -0.03 -1.43 0.01 -1.26 -5.12 114.94 106.71 3din s ASN 40 Ca -0.04 -1.07 0.05 0.00 -0.71 0.00 0.00 52.86 51.09 3din s ASN 40 Cb 0.22 -0.78 0.08 0.00 0.41 0.00 0.00 41.25 41.17 3din s ASN 40 CO 0.73 -0.31 0.93 0.18 -1.51 0.00 0.00 177.10 177.11 3din n LEU 41 N 4.92 1.28 0.01 0.60 4.77 -1.25 -4.91 117.00 122.42 3din n LEU 41 Ca -0.08 -1.65 0.00 0.00 -0.03 0.00 0.00 56.01 54.25 3din n LEU 41 Cb 0.45 -0.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.43 3din n LEU 41 CO 0.14 0.40 0.03 -0.24 -1.33 0.00 0.00 177.39 176.38 3din n SER 62 N -0.54 0.00 0.05 -1.43 2.88 -1.26 -5.17 113.62 108.15 3din n SER 62 Ca 0.04 0.01 -0.07 0.00 -1.33 0.00 0.00 58.87 57.53 3din n SER 62 Cb 0.49 0.00 0.10 0.00 -0.75 0.00 0.00 64.21 64.05 3din n SER 62 CO 0.00 0.00 0.00 0.15 -1.23 0.00 0.00 175.04 173.96 3din h PHE 63 N 0.00 0.49 0.00 0.66 3.57 -2.03 -1.86 116.94 117.77 3din h PHE 63 Ca 0.00 -0.17 -0.01 0.00 3.53 0.00 0.00 57.97 61.31 3din h PHE 63 Cb 0.06 -0.09 -0.00 0.00 2.79 0.00 0.00 35.95 38.70 3din h PHE 63 CO 0.00 0.86 -0.06 1.88 -2.23 0.00 0.00 178.31 178.76 3din h TYR 64 N 0.30 0.00 0.08 0.41 0.05 -2.02 -2.51 116.97 113.27 3din h TYR 64 Ca 0.00 0.00 -0.13 0.00 0.05 0.00 0.00 58.73 58.65 3din h TYR 64 Cb 1.07 0.00 0.01 0.00 1.01 0.00 0.00 36.73 38.81 3din h TYR 64 CO 0.03 0.06 -0.61 -0.44 -1.05 0.00 0.00 178.16 176.15 3din h ASP 65 N 0.00 0.25 0.46 3.88 5.19 -1.94 -2.27 116.42 121.99 3din h ASP 65 Ca -0.00 -0.93 0.00 0.00 -0.62 0.00 0.00 57.03 55.48 3din h ASP 65 Cb 0.90 -0.08 0.00 0.00 0.18 0.00 0.00 39.33 40.33 3din h ASP 65 CO 0.01 1.28 0.00 0.52 -3.12 0.00 0.00 179.24 177.93 3din n VAL 66 N -4.31 0.14 -0.07 -1.35 0.31 -0.72 -2.34 118.33 110.00 3din n VAL 66 Ca -0.15 0.04 -0.04 0.00 -0.01 0.00 0.00 64.34 64.17 3din n VAL 66 Cb 0.69 -0.60 -0.15 0.00 -0.91 0.00 0.00 33.84 32.87 3din n VAL 66 CO 0.00 0.00 0.00 0.33 -1.32 0.00 0.00 176.83 175.84 3din n PHE 67 N -1.27 0.00 0.05 3.52 -0.00 -0.95 -4.56 117.46 114.25 3din n PHE 67 Ca 0.13 0.00 -0.02 0.00 -0.00 0.00 0.00 57.45 57.56 3din n PHE 67 Cb 0.20 -0.81 -0.01 0.00 -0.00 0.00 0.00 39.48 38.86 3din n PHE 67 CO 0.00 0.00 0.00 1.15 -0.00 0.00 0.00 176.76 177.91 3din h THR 68 N 0.00 0.00 0.00 -2.13 2.02 -1.20 -3.51 112.91 108.09 3din h THR 68 Ca -0.38 -0.12 0.00 0.00 0.77 0.00 0.00 66.41 66.68 3din h THR 68 Cb 1.85 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 68.26 3din h THR 68 CO 0.02 0.00 0.00 0.61 0.37 0.00 0.00 175.52 176.52 3din n GLY 69 N 0.56 1.91 0.00 2.16 0.00 -0.99 -4.67 105.19 104.17 3din n GLY 69 Ca -0.02 -1.55 0.00 0.00 0.00 0.00 0.00 46.02 44.46 3din n GLY 69 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3din n GLY 70 N 1.94 0.92 0.13 -0.02 0.00 -1.26 -3.76 105.19 103.14 3din n GLY 70 Ca 0.00 -2.03 -0.20 0.00 0.00 0.00 0.00 46.02 43.79 3din n GLY 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3din n ALA 71 N -1.00 1.16 -0.03 4.61 0.00 -1.26 -4.86 120.51 119.12 3din n ALA 71 Ca 0.00 -0.85 0.00 0.00 0.00 0.00 0.00 53.44 52.59 3din n ALA 71 Cb 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 19.45 19.09 3din n ALA 71 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3din n LEU 72 N -3.46 0.00 -1.90 0.00 7.99 -1.26 -5.02 117.00 113.35 3din n LEU 72 Ca -0.40 0.00 -0.01 0.00 -0.01 0.00 0.00 56.01 55.59 3din n LEU 72 Cb 1.00 -0.26 0.05 0.00 -0.11 0.00 0.00 43.42 44.09 3din n LEU 72 CO 0.32 -0.48 0.39 -0.24 -1.51 0.00 0.00 177.39 175.87 3din n SER 73 N -2.46 -0.59 -3.84 -1.43 2.88 -1.26 -5.11 113.62 101.81 3din n SER 73 Ca 0.00 -1.45 -0.26 0.00 -1.33 0.00 0.00 58.87 55.82 3din n SER 73 Cb 0.00 0.27 -0.17 0.00 -0.75 0.00 0.00 64.21 63.56 3din n SER 73 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 3din s ARG 74 N 0.05 1.12 -0.09 -1.46 1.81 -1.26 -5.08 118.95 114.05 3din s ARG 74 Ca 0.03 -0.26 -0.29 0.00 -1.72 0.00 0.00 55.73 53.49 3din s ARG 74 Cb 0.17 -1.63 -0.05 0.00 -0.45 0.00 0.00 34.95 32.99 3din s ARG 74 CO -0.05 -0.38 1.73 0.12 -0.68 0.00 0.00 175.30 176.03 3din s PHE 75 N 1.78 1.85 -0.27 -0.53 2.19 -1.25 -4.48 117.98 117.27 3din s PHE 75 Ca 0.03 0.20 -0.00 0.00 0.33 0.00 0.00 56.93 57.48 3din s PHE 75 Cb -0.14 -3.98 0.08 0.00 -1.31 0.00 0.00 43.02 37.68 3din s PHE 75 CO -0.07 -3.91 0.05 -1.12 1.83 0.00 0.00 175.22 172.00 3din s SER 76 N 4.02 3.83 0.53 6.13 0.01 -1.26 -4.84 113.70 122.11 3din s SER 76 Ca 0.77 -1.42 0.23 0.00 1.31 0.00 0.00 55.95 56.84 3din s SER 76 Cb -0.33 -0.94 1.44 0.00 0.21 0.00 0.00 66.02 66.40 3din s SER 76 CO 0.31 -0.35 2.13 0.58 0.41 0.00 0.00 173.24 176.32 3din h VAL 77 N 6.54 0.77 -3.80 3.43 2.07 -1.94 -3.43 116.25 119.89 3din h VAL 77 Ca -0.14 -0.28 -0.24 0.00 0.82 0.00 0.00 66.70 66.86 3din h VAL 77 Cb 1.05 1.17 -0.15 0.00 -1.52 0.00 0.00 31.29 31.84 3din h VAL 77 CO 0.44 0.07 -0.69 0.12 0.02 0.00 0.00 177.57 177.53 3din s PHE 78 N -4.61 0.98 0.00 1.57 5.36 -1.26 -4.12 117.98 115.90 3din s PHE 78 Ca -0.04 -0.94 0.00 0.00 -0.96 0.00 0.00 56.93 54.99 3din s PHE 78 Cb 0.15 -0.56 0.00 0.00 -0.34 0.00 0.00 43.02 42.27 3din s PHE 78 CO 0.61 -0.16 0.13 0.25 -1.46 0.00 0.00 175.22 174.59 3din n THR 79 N -0.10 0.00 -3.44 0.12 -2.24 -1.26 -4.50 114.28 102.86 3din n THR 79 Ca -0.11 0.55 -0.27 0.00 -2.27 0.00 0.00 64.05 61.95 3din n THR 79 Cb 0.61 -0.96 -0.11 0.00 -2.10 0.00 0.00 70.33 67.77 3din n THR 79 CO 0.00 0.00 0.00 -0.32 -0.57 0.00 0.00 175.07 174.18 3din s MET 80 N -0.30 0.56 0.17 -0.78 1.75 -1.26 -4.86 119.30 114.57 3din s MET 80 Ca 0.00 -1.29 0.00 0.00 -1.25 0.00 0.00 55.69 53.15 3din s MET 80 Cb 0.00 -1.22 0.00 0.00 2.84 0.00 0.00 34.83 36.45 3din s MET 80 CO 0.00 -1.21 0.00 0.43 -0.65 0.00 0.00 175.02 173.59 3din n SER 81 N 4.04 -0.07 0.21 1.11 7.64 -1.26 -3.04 113.62 122.25 3din n SER 81 Ca 0.12 0.28 0.13 0.00 1.01 0.00 0.00 58.87 60.41 3din n SER 81 Cb 0.38 0.22 0.25 0.00 -1.01 0.00 0.00 64.21 64.06 3din n SER 81 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 3din h VAL 82 N 0.00 0.00 0.16 0.44 2.07 -1.91 -2.64 116.25 114.37 3din h VAL 82 Ca 0.00 -0.89 -0.01 0.00 0.82 0.00 0.00 66.70 66.63 3din h VAL 82 Cb 0.02 1.88 0.00 0.00 -1.52 0.00 0.00 31.29 31.68 3din h VAL 82 CO 0.00 0.00 -0.08 0.74 0.02 0.00 0.00 177.57 178.25 3din h THR 83 N 0.00 0.65 0.00 2.57 2.02 -1.88 -2.10 112.91 114.17 3din h THR 83 Ca 0.00 -1.14 0.00 0.00 0.77 0.00 0.00 66.41 66.04 3din h THR 83 Cb 0.92 1.13 0.00 0.00 -1.74 0.00 0.00 68.15 68.46 3din h THR 83 CO 0.00 0.18 0.00 -0.81 0.37 0.00 0.00 175.52 175.26 3din n PRO 84 N -4.90 0.17 0.19 6.66 -0.04 -1.24 0.47 135.00 136.31 3din n PRO 84 Ca -0.06 0.55 -0.08 0.00 -0.04 0.00 0.00 63.50 63.87 3din n PRO 84 Cb 0.23 -1.94 -0.04 0.00 -0.04 0.00 0.00 33.50 31.71 3din n PRO 84 CO 0.00 0.00 0.00 -0.92 -0.04 0.00 0.00 175.50 174.54 3din h TYR 85 N 0.00 -0.47 -0.90 0.54 5.03 -1.36 1.01 116.97 120.81 3din h TYR 85 Ca 0.00 -0.01 0.07 0.00 2.58 0.00 0.00 58.73 61.37 3din h TYR 85 Cb 0.16 0.16 -0.06 0.00 1.55 0.00 0.00 36.73 38.54 3din h TYR 85 CO 0.00 -0.30 0.58 0.82 -1.32 0.00 0.00 178.16 177.95 3din h ILE 86 N -0.82 1.04 0.29 1.81 1.08 -0.81 -1.43 117.51 118.66 3din h ILE 86 Ca -0.05 -0.34 0.00 0.00 -0.39 0.00 0.00 64.86 64.08 3din h ILE 86 Cb 0.39 -0.04 -0.02 0.00 -3.07 0.00 0.00 36.82 34.09 3din h ILE 86 CO 0.09 0.18 -0.28 0.74 -0.69 0.00 0.00 178.15 178.19 3din h THR 87 N 0.99 0.41 -0.16 -0.27 2.02 0.09 -0.55 112.91 115.43 3din h THR 87 Ca 0.40 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.60 3din h THR 87 Cb 0.25 0.41 -0.04 0.00 -1.74 0.00 0.00 68.15 67.03 3din h THR 87 CO -0.15 0.00 -0.31 0.00 0.37 0.00 0.00 175.52 175.42 3din h ALA 88 N 0.00 -0.63 -1.01 6.16 0.00 0.21 0.50 119.26 124.50 3din h ALA 88 Ca -0.01 -0.02 0.27 0.00 0.00 0.00 0.00 54.91 55.16 3din h ALA 88 Cb 0.55 0.89 -0.13 0.00 0.00 0.00 0.00 17.79 19.10 3din h ALA 88 CO -0.05 -0.76 0.60 0.66 0.00 0.00 0.00 179.25 179.69 3din h SER 89 N -0.27 0.61 -0.32 0.00 4.64 -1.29 0.27 113.55 117.18 3din h SER 89 Ca 0.03 0.15 -0.09 0.00 -0.47 0.00 0.00 61.79 61.41 3din h SER 89 Cb 0.36 0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 62.50 3din h SER 89 CO -0.30 0.02 -0.13 0.40 -0.87 0.00 0.00 176.83 175.95 3din h ILE 90 N 0.48 1.29 -0.06 0.95 5.03 0.72 -1.57 117.51 124.35 3din h ILE 90 Ca 0.67 -1.23 0.01 0.00 -0.12 0.00 0.00 64.86 64.20 3din h ILE 90 Cb 1.41 1.40 -0.01 0.00 -3.03 0.00 0.00 36.82 36.58 3din h ILE 90 CO -0.50 0.40 -0.11 0.40 -0.68 0.00 0.00 178.15 177.65 3din h ILE 91 N 0.43 0.00 0.00 -0.67 1.08 0.36 -0.47 117.51 118.24 3din h ILE 91 Ca 0.08 0.00 -0.02 0.00 -0.39 0.00 0.00 64.86 64.52 3din h ILE 91 Cb 0.65 0.00 -0.00 0.00 -3.07 0.00 0.00 36.82 34.40 3din h ILE 91 CO 0.04 0.00 -0.11 0.17 -0.69 0.00 0.00 178.15 177.56 3din h LEU 92 N -0.09 0.00 0.00 1.44 -0.00 -1.59 -2.66 115.31 112.41 3din h LEU 92 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.89 3din h LEU 92 Cb 0.12 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.78 3din h LEU 92 CO -0.11 0.11 0.00 1.67 -0.00 0.00 0.00 178.44 180.11 3din n GLN 93 N -3.62 0.00 -0.11 0.17 -0.06 -0.23 -1.64 117.38 111.89 3din n GLN 93 Ca -0.02 0.10 0.04 0.00 -2.00 0.00 0.00 57.00 55.13 3din n GLN 93 Cb 0.23 -0.85 0.37 0.00 -4.06 0.00 0.00 30.24 25.93 3din n GLN 93 CO 0.00 0.00 0.00 1.25 -0.20 0.00 0.00 177.06 178.11 3din h LEU 94 N 0.00 0.61 0.14 1.69 7.12 -1.54 -0.87 115.31 122.46 3din h LEU 94 Ca 0.00 -0.01 -0.00 0.00 0.13 0.00 0.00 57.88 58.00 3din h LEU 94 Cb 0.00 -0.15 -0.01 0.00 -0.53 0.00 0.00 40.66 39.97 3din h LEU 94 CO 0.00 0.43 -0.19 -0.07 -0.13 0.00 0.00 178.44 178.48 3din h LEU 95 N 0.72 -0.53 -2.33 2.25 3.38 -1.52 -1.76 115.31 115.51 3din h LEU 95 Ca 0.23 0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.24 3din h LEU 95 Cb 0.05 0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.98 3din h LEU 95 CO -0.06 -0.23 -0.04 0.00 0.09 0.00 0.00 178.44 178.19 3din h ALA 96 N -1.36 1.23 -3.00 1.53 0.00 -1.23 -2.13 119.26 114.30 3din h ALA 96 Ca -0.02 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3din h ALA 96 Cb 0.31 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.09 3din h ALA 96 CO -0.05 0.05 0.00 0.43 0.00 0.00 0.00 179.25 179.68 3din n SER 97 N -3.47 0.00 0.04 0.00 7.64 -0.34 -3.46 113.62 114.02 3din n SER 97 Ca -0.02 0.00 0.15 0.00 1.01 0.00 0.00 58.87 60.00 3din n SER 97 Cb 0.15 0.00 0.62 0.00 -1.01 0.00 0.00 64.21 63.98 3din n SER 97 CO 0.00 0.00 0.00 -0.37 -3.01 0.00 0.00 175.04 171.66 3din h VAL 98 N 0.00 0.85 -3.50 0.44 -1.51 -1.54 -3.31 116.25 107.68 3din h VAL 98 Ca 0.00 -0.04 -0.69 0.00 -1.23 0.00 0.00 66.70 64.74 3din h VAL 98 Cb 0.00 0.72 -0.35 0.00 -2.13 0.00 0.00 31.29 29.53 3din h VAL 98 CO 0.00 0.02 -0.48 -0.32 -1.23 0.00 0.00 177.57 175.56 3din s MET 99 N -5.14 2.21 0.00 5.19 0.00 -0.80 -5.04 119.30 115.72 3din s MET 99 Ca -0.06 -2.12 0.00 0.00 0.00 0.00 0.00 55.69 53.51 3din s MET 99 Cb 0.19 -3.63 0.00 0.00 0.00 0.00 0.00 34.83 31.39 3din s MET 99 CO 0.72 -1.11 0.00 -0.35 0.00 0.00 0.00 175.02 174.28 3din n PRO 100 N 4.12 0.00 -3.87 4.11 -0.04 -1.23 -3.86 135.00 134.23 3din n PRO 100 Ca 0.02 0.00 -0.35 0.00 -0.04 0.00 0.00 63.50 63.13 3din n PRO 100 Cb 0.40 -0.21 -0.13 0.00 -0.04 0.00 0.00 33.50 33.52 3din n PRO 100 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 3din s SER 101 N -2.17 5.00 -0.07 3.54 0.15 -1.26 -4.78 113.70 114.11 3din s SER 101 Ca 0.00 -1.45 0.02 0.00 0.70 0.00 0.00 55.95 55.23 3din s SER 101 Cb 0.00 -1.75 -0.06 0.00 -1.71 0.00 0.00 66.02 62.51 3din s SER 101 CO 0.00 -0.33 -0.03 -0.11 1.20 0.00 0.00 173.24 173.97 3din n LEU 102 N 4.62 1.77 -3.75 3.45 7.94 -1.26 -4.91 117.00 124.86 3din n LEU 102 Ca -0.10 -0.02 -0.29 0.00 -1.11 0.00 0.00 56.01 54.49 3din n LEU 102 Cb 0.43 -0.09 -0.12 0.00 0.53 0.00 0.00 43.42 44.16 3din n LEU 102 CO 0.28 0.43 -0.18 -0.75 -1.11 0.00 0.00 177.39 176.05 3din s LYS 103 N -2.14 1.69 0.00 1.96 2.47 -1.26 -5.00 119.74 117.45 3din s LYS 103 Ca -0.07 -2.52 0.00 0.00 -1.56 0.00 0.00 55.97 51.82 3din s LYS 103 Cb 0.02 -2.66 0.00 0.00 -1.46 0.00 0.00 37.83 33.73 3din s LYS 103 CO 0.20 -1.23 0.00 0.39 0.16 0.00 0.00 175.35 174.87 3din n GLU 104 N 2.89 0.00 -4.30 4.03 1.02 -1.26 -4.91 120.64 118.11 3din n GLU 104 Ca 0.15 0.00 -0.35 0.00 -0.02 0.00 0.00 57.16 56.94 3din n GLU 104 Cb 0.36 -0.77 -0.10 0.00 -0.02 0.00 0.00 31.44 30.91 3din n GLU 104 CO 0.00 0.00 0.00 -1.64 1.18 0.00 0.00 177.13 176.67 3din s MET 105 N 0.00 3.31 0.00 3.49 -1.94 -1.26 -5.00 119.30 117.90 3din s MET 105 Ca 0.00 -0.41 0.00 0.00 -1.71 0.00 0.00 55.69 53.57 3din s MET 105 Cb 0.00 -2.90 0.00 0.00 2.01 0.00 0.00 34.83 33.94 3din s MET 105 CO 0.00 0.54 0.00 1.28 -0.01 0.00 0.00 175.02 176.83 3din n LEU 106 N 2.65 0.00 -3.74 -0.03 4.77 -1.26 -4.81 117.00 114.58 3din n LEU 106 Ca -0.18 0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 55.66 3din n LEU 106 Cb 0.53 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.48 3din n LEU 106 CO 0.31 0.00 -0.23 -0.13 -1.33 0.00 0.00 177.39 176.01 3din s ARG 107 N 0.34 0.09 0.00 3.23 0.52 -1.26 -4.79 118.95 117.07 3din s ARG 107 Ca 0.00 0.38 0.00 0.00 -0.52 0.00 0.00 55.73 55.59 3din s ARG 107 Cb 0.00 -0.18 0.00 0.00 0.52 0.00 0.00 34.95 35.29 3din s ARG 107 CO 0.00 -0.17 0.88 0.39 0.02 0.00 0.00 175.30 176.42 3din n GLU 108 N 4.25 0.00 0.00 3.54 1.02 -1.26 -4.92 120.64 123.27 3din n GLU 108 Ca -0.26 -0.81 0.00 0.00 -0.02 0.00 0.00 57.16 56.07 3din n GLU 108 Cb 0.52 -0.43 0.00 0.00 -0.02 0.00 0.00 31.44 31.51 3din n GLU 108 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3din n GLY 109 N 0.00 0.84 2.13 0.62 0.00 -1.26 -3.80 105.19 103.73 3din n GLY 109 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3din n GLY 109 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3din n GLU 110 N 0.00 0.00 0.24 1.61 0.00 -1.26 -4.85 120.64 116.38 3din n GLU 110 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 57.16 57.07 3din n GLU 110 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 31.44 31.39 3din n GLU 110 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.13 178.62 3din h GLU 111 N 0.00 -0.59 0.00 5.31 4.57 -2.00 -1.99 114.58 119.87 3din h GLU 111 Ca 0.00 0.04 -0.03 0.00 -1.18 0.00 0.00 59.36 58.19 3din h GLU 111 Cb 0.00 0.14 -0.00 0.00 -0.16 0.00 0.00 28.75 28.72 3din h GLU 111 CO 0.00 -0.40 -0.14 0.78 -1.18 0.00 0.00 179.01 178.07 3din h GLY 112 N -0.64 0.00 1.44 1.92 0.00 -1.91 -2.29 103.07 101.59 3din h GLY 112 Ca -0.06 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.19 3din h GLY 112 CO 0.10 0.00 -0.08 3.21 0.00 0.00 0.00 176.54 179.77 3din h ARG 113 N 0.00 0.67 0.08 4.80 2.47 -1.83 -0.93 114.38 119.64 3din h ARG 113 Ca -0.00 -0.20 -0.19 0.00 -1.26 0.00 0.00 59.98 58.33 3din h ARG 113 Cb 0.26 -0.07 0.02 0.00 -1.65 0.00 0.00 29.97 28.53 3din h ARG 113 CO 0.02 0.74 -0.80 0.87 0.56 0.00 0.00 179.97 181.37 3din h LYS 114 N 0.62 0.40 -0.98 0.04 6.56 -0.87 -1.05 116.57 121.29 3din h LYS 114 Ca 0.11 -0.53 0.04 0.00 -1.06 0.00 0.00 60.65 59.21 3din h LYS 114 Cb 0.51 0.18 -0.06 0.00 -0.57 0.00 0.00 32.23 32.29 3din h LYS 114 CO 0.03 1.21 0.64 0.87 -2.06 0.00 0.00 179.45 180.14 3din h LYS 115 N -0.16 1.19 -0.25 3.15 1.57 -1.39 0.16 116.57 120.84 3din h LYS 115 Ca -0.12 -0.07 -0.14 0.00 -1.87 0.00 0.00 60.65 58.44 3din h LYS 115 Cb 1.55 -0.27 -0.01 0.00 0.08 0.00 0.00 32.23 33.58 3din h LYS 115 CO 0.15 0.79 -0.43 0.35 -0.57 0.00 0.00 179.45 179.74 3din h PHE 116 N 1.23 0.75 -0.24 -1.35 3.57 -1.19 -2.75 116.94 116.95 3din h PHE 116 Ca 0.39 -0.23 -0.08 0.00 3.53 0.00 0.00 57.97 61.58 3din h PHE 116 Cb 0.02 -0.16 -0.01 0.00 2.79 0.00 0.00 35.95 38.60 3din h PHE 116 CO -0.00 0.95 -0.17 0.00 -2.23 0.00 0.00 178.31 176.86 3din h ALA 117 N 1.02 0.34 -0.48 2.41 0.00 -0.13 -1.95 119.26 120.47 3din h ALA 117 Ca 0.04 -0.34 0.05 0.00 0.00 0.00 0.00 54.91 54.66 3din h ALA 117 Cb 0.95 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.62 3din h ALA 117 CO 0.09 0.25 0.22 0.87 0.00 0.00 0.00 179.25 180.67 3din h LYS 118 N 0.25 0.42 -0.33 0.00 1.57 -0.73 0.16 116.57 117.91 3din h LYS 118 Ca 0.05 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 3din h LYS 118 Cb 0.70 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.90 3din h LYS 118 CO 0.05 0.28 0.21 1.88 -0.57 0.00 0.00 179.45 181.29 3din h TYR 119 N 0.43 0.42 -0.40 -1.35 0.99 -1.41 -0.77 116.97 114.88 3din h TYR 119 Ca 0.22 0.01 -0.03 0.00 2.00 0.00 0.00 58.73 60.92 3din h TYR 119 Cb 0.16 -0.14 -0.02 0.00 1.00 0.00 0.00 36.73 37.73 3din h TYR 119 CO -0.12 0.27 0.13 1.15 -0.00 0.00 0.00 178.16 179.59 3din h THR 120 N 0.45 1.21 0.00 -2.88 2.02 0.03 -1.92 112.91 111.82 3din h THR 120 Ca 0.12 -0.69 0.00 0.00 0.77 0.00 0.00 66.41 66.61 3din h THR 120 Cb -0.04 0.91 0.00 0.00 -1.74 0.00 0.00 68.15 67.28 3din h THR 120 CO -0.02 0.25 0.00 0.54 0.37 0.00 0.00 175.52 176.65 3din n ARG 121 N -4.60 0.00 -0.36 6.66 3.00 -0.04 -2.05 116.66 119.27 3din n ARG 121 Ca -0.00 0.41 0.28 0.00 -0.01 0.00 0.00 57.85 58.54 3din n ARG 121 Cb 0.17 -1.21 0.58 0.00 0.00 0.00 0.00 32.46 32.00 3din n ARG 121 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3din h ARG 122 N 0.00 0.25 0.00 5.56 3.08 -1.57 -2.17 114.38 119.54 3din h ARG 122 Ca 0.00 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.04 3din h ARG 122 Cb 0.00 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 29.99 3din h ARG 122 CO 0.00 0.16 0.00 -0.11 -1.07 0.00 0.00 179.97 178.95 3din n LEU 123 N -4.57 0.00 0.30 3.04 7.94 -0.72 -2.39 117.00 120.60 3din n LEU 123 Ca 0.28 0.56 0.18 0.00 -1.11 0.00 0.00 56.01 55.92 3din n LEU 123 Cb 1.08 -0.06 0.96 0.00 0.53 0.00 0.00 43.42 45.93 3din n LEU 123 CO 0.27 -0.06 1.09 0.00 -1.11 0.00 0.00 177.39 177.58 3din h THR 124 N 0.00 0.00 0.78 1.96 1.03 -1.24 -2.61 112.91 112.83 3din h THR 124 Ca 0.00 0.00 -0.04 0.00 -0.01 0.00 0.00 66.41 66.36 3din h THR 124 Cb 0.00 0.78 0.01 0.00 -1.07 0.00 0.00 68.15 67.87 3din h THR 124 CO 0.00 0.00 -0.38 -0.07 -0.01 0.00 0.00 175.52 175.06 3din h LEU 125 N 0.00 -0.89 -2.13 0.00 3.38 -1.18 0.31 115.31 114.80 3din h LEU 125 Ca 0.00 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 3din h LEU 125 Cb 0.21 0.23 -0.00 0.00 0.09 0.00 0.00 40.66 41.19 3din h LEU 125 CO 0.00 -0.55 -0.06 -0.07 0.09 0.00 0.00 178.44 177.85 3din h LEU 126 N -1.22 0.00 -0.26 1.67 -0.00 -1.12 -1.81 115.31 112.57 3din h LEU 126 Ca -0.11 0.00 -0.05 0.00 -0.00 0.00 0.00 57.88 57.72 3din h LEU 126 Cb 0.81 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.46 3din h LEU 126 CO 0.18 0.06 -0.04 0.40 -0.00 0.00 0.00 178.44 179.04 3din h ILE 127 N 0.00 1.27 0.00 1.22 1.08 -1.25 -1.86 117.51 117.97 3din h ILE 127 Ca -0.00 -1.01 -0.00 0.00 -0.39 0.00 0.00 64.86 63.46 3din h ILE 127 Cb 0.14 1.41 -0.00 0.00 -3.07 0.00 0.00 36.82 35.30 3din h ILE 127 CO 0.01 0.32 -0.00 1.23 -0.69 0.00 0.00 178.15 179.01 3din h GLY 128 N 0.25 0.00 0.71 5.37 0.00 -0.08 -1.47 103.07 107.85 3din h GLY 128 Ca 0.07 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.34 3din h GLY 128 CO 0.02 0.00 -0.17 -1.33 0.00 0.00 0.00 176.54 175.06 3din h GLY 129 N 0.02 0.36 0.15 4.60 0.00 -0.97 -2.36 103.07 104.87 3din h GLY 129 Ca -0.00 -0.39 0.02 0.00 0.00 0.00 0.00 47.33 46.96 3din h GLY 129 CO 0.00 0.35 -0.46 0.74 0.00 0.00 0.00 176.54 177.17 3din h PHE 130 N -0.08 -1.33 -0.33 5.60 0.04 -0.95 -0.65 116.94 119.23 3din h PHE 130 Ca 0.01 0.04 0.10 0.00 2.80 0.00 0.00 57.97 60.92 3din h PHE 130 Cb 0.72 0.57 -0.01 0.00 2.20 0.00 0.00 35.95 39.43 3din h PHE 130 CO 0.09 -0.54 0.24 1.96 -0.60 0.00 0.00 178.31 179.47 3din h GLN 131 N -0.66 0.00 0.22 1.51 4.20 -1.58 -3.08 115.11 115.72 3din h GLN 131 Ca 0.02 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.72 3din h GLN 131 Cb 0.70 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.48 3din h GLN 131 CO -0.30 0.00 -0.16 0.00 -0.67 0.00 0.00 178.83 177.71 3din h ALA 132 N 1.83 -0.98 -0.91 3.87 0.00 -0.55 -1.67 119.26 120.85 3din h ALA 132 Ca 0.16 -0.07 0.20 0.00 0.00 0.00 0.00 54.91 55.20 3din h ALA 132 Cb 0.64 0.30 -0.11 0.00 0.00 0.00 0.00 17.79 18.62 3din h ALA 132 CO -0.00 -0.97 0.47 0.74 0.00 0.00 0.00 179.25 179.49 3din h PHE 133 N -0.36 0.80 0.21 0.00 0.04 -1.43 -1.94 116.94 114.25 3din h PHE 133 Ca -0.03 0.04 -0.01 0.00 2.80 0.00 0.00 57.97 60.77 3din h PHE 133 Cb 0.30 -0.21 0.00 0.00 2.20 0.00 0.00 35.95 38.24 3din h PHE 133 CO -0.01 0.07 -0.10 0.74 -0.60 0.00 0.00 178.31 178.41 3din h PHE 134 N 0.54 -0.27 -0.96 -0.55 0.04 -1.49 -2.57 116.94 111.68 3din h PHE 134 Ca 0.55 -0.01 0.23 0.00 2.80 0.00 0.00 57.97 61.55 3din h PHE 134 Cb 0.96 0.09 -0.12 0.00 2.20 0.00 0.00 35.95 39.07 3din h PHE 134 CO -0.09 -0.17 0.52 0.28 -0.60 0.00 0.00 178.31 178.26 3din h VAL 135 N -0.32 0.52 -0.25 -0.55 2.07 -1.22 0.25 116.25 116.75 3din h VAL 135 Ca -0.03 -0.18 0.03 0.00 0.82 0.00 0.00 66.70 67.34 3din h VAL 135 Cb 0.22 -0.04 -0.03 0.00 -1.52 0.00 0.00 31.29 29.92 3din h VAL 135 CO 0.05 0.09 0.08 0.28 0.02 0.00 0.00 177.57 178.09 3din h SER 136 N 0.52 0.09 0.00 0.57 0.02 -1.39 -2.20 113.55 111.16 3din h SER 136 Ca 0.61 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 61.59 3din h SER 136 Cb 1.15 0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.71 3din h SER 136 CO -0.49 0.08 0.00 0.49 -1.14 0.00 0.00 176.83 175.77 3din n PHE 137 N -5.04 0.00 -0.27 3.45 0.99 0.06 -1.67 117.46 114.99 3din n PHE 137 Ca -0.01 0.00 -0.02 0.00 -0.00 0.00 0.00 57.45 57.41 3din n PHE 137 Cb 0.09 -0.15 0.04 0.00 -1.00 0.00 0.00 39.48 38.46 3din n PHE 137 CO 0.00 0.00 0.00 0.77 -0.00 0.00 0.00 176.76 177.53 3din h SER 138 N 0.00 -1.13 0.03 4.37 0.02 -1.59 -2.68 113.55 112.57 3din h SER 138 Ca 0.00 0.25 0.01 0.00 -0.84 0.00 0.00 61.79 61.21 3din h SER 138 Cb 0.00 0.60 -0.02 0.00 0.14 0.00 0.00 62.40 63.12 3din h SER 138 CO 0.00 -0.29 -0.22 -0.07 -1.14 0.00 0.00 176.83 175.11 3din h LEU 139 N -0.08 -0.68 -0.76 5.07 4.07 -1.43 -2.63 115.31 118.87 3din h LEU 139 Ca 0.30 0.07 0.03 0.00 0.08 0.00 0.00 57.88 58.36 3din h LEU 139 Cb 0.57 0.25 -0.00 0.00 1.08 0.00 0.00 40.66 42.56 3din h LEU 139 CO -0.79 -0.23 0.80 0.00 -1.08 0.00 0.00 178.44 177.14 3din h ALA 140 N -1.10 1.90 0.00 1.53 0.00 -0.97 -1.53 119.26 119.09 3din h ALA 140 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3din h ALA 140 Cb 0.31 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.11 3din h ALA 140 CO -0.13 -0.86 0.00 -2.13 0.00 0.00 0.00 179.25 176.13 3din n ARG 141 N -2.73 2.27 -0.69 0.00 3.00 -1.02 -4.89 116.66 112.60 3din n ARG 141 Ca 0.02 -1.27 -0.01 0.00 -0.00 0.00 0.00 57.85 56.59 3din n ARG 141 Cb 0.85 -0.92 -0.01 0.00 0.00 0.00 0.00 32.46 32.39 3din n ARG 141 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.63 178.06 3din n SER 142 N -0.39 -0.10 -4.66 6.15 7.64 -0.58 -5.10 113.62 116.58 3din n SER 142 Ca 0.00 -1.51 -0.26 0.00 1.01 0.00 0.00 58.87 58.11 3din n SER 142 Cb 0.28 -0.02 -0.08 0.00 -1.01 0.00 0.00 64.21 63.38 3din n SER 142 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 3din s ASN 143 N -0.60 4.73 0.62 6.43 0.02 -1.20 -5.02 114.94 119.92 3din s ASN 143 Ca 0.03 -0.43 -0.17 0.00 -1.02 0.00 0.00 52.86 51.27 3din s ASN 143 Cb 0.04 -0.99 -0.02 0.00 0.02 0.00 0.00 41.25 40.30 3din s ASN 143 CO -0.02 0.08 1.15 -2.16 0.02 0.00 0.00 177.10 176.18 3din s PRO 144 N -3.00 2.91 -1.24 -0.60 0.04 -1.26 -3.63 135.00 128.22 3din s PRO 144 Ca 0.28 1.60 -0.01 0.00 0.04 0.00 0.00 61.00 62.90 3din s PRO 144 Cb -0.09 -1.95 0.00 0.00 0.04 0.00 0.00 34.50 32.51 3din s PRO 144 CO 0.18 -1.20 0.95 -3.47 0.04 0.00 0.00 177.00 173.51 3din n ASP 145 N -1.96 -2.23 0.00 6.66 4.64 -1.26 -4.97 116.55 117.43 3din n ASP 145 Ca 0.12 -0.66 0.00 0.00 -1.38 0.00 0.00 54.79 52.87 3din n ASP 145 Cb 0.51 -4.88 0.00 0.00 -1.04 0.00 0.00 41.12 35.70 3din n ASP 145 CO 0.00 0.00 0.00 0.80 -0.82 0.00 0.00 177.20 177.18 3din n MET 146 N -4.23 0.00 -2.22 -0.67 1.56 -1.24 -4.87 117.12 105.44 3din n MET 146 Ca -0.26 0.01 -0.19 0.00 -0.27 0.00 0.00 57.70 56.98 3din n MET 146 Cb 0.66 -0.74 -0.02 0.00 2.15 0.00 0.00 33.22 35.27 3din n MET 146 CO 0.00 0.00 0.00 0.28 -0.73 0.00 0.00 175.97 175.52 3din n VAL 147 N -0.25 -0.75 -3.52 1.12 0.31 -1.26 -4.94 118.33 109.04 3din n VAL 147 Ca 0.00 0.00 -0.42 0.00 -0.01 0.00 0.00 64.34 63.91 3din n VAL 147 Cb 0.00 -2.62 -0.07 0.00 -0.91 0.00 0.00 33.84 30.24 3din n VAL 147 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3din s ALA 148 N -2.91 3.58 0.99 3.52 0.00 -1.26 -5.08 121.76 120.60 3din s ALA 148 Ca 0.00 -2.82 -0.26 0.00 0.00 0.00 0.00 51.96 48.88 3din s ALA 148 Cb 0.00 -2.96 -0.19 0.00 0.00 0.00 0.00 23.12 19.97 3din s ALA 148 CO 0.00 -2.02 -1.41 -2.30 0.00 0.00 0.00 175.76 170.03 3din n PRO 149 N 4.50 0.00 -0.26 0.00 -0.02 -1.26 -4.96 135.00 132.99 3din n PRO 149 Ca -0.01 0.00 0.07 0.00 -2.02 0.00 0.00 63.50 61.54 3din n PRO 149 Cb 0.41 -0.99 0.11 0.00 -0.02 0.00 0.00 33.50 33.02 3din n PRO 149 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3din n GLY 150 N 3.47 3.90 2.52 -1.23 0.00 -1.26 -4.88 105.19 107.71 3din n GLY 150 Ca -0.02 -0.92 -0.35 0.00 0.00 0.00 0.00 46.02 44.73 3din n GLY 150 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3din n VAL 151 N -1.05 3.46 -1.60 1.61 0.31 -1.26 -4.91 118.33 114.88 3din n VAL 151 Ca 0.13 -2.24 -0.42 0.00 -0.01 0.00 0.00 64.34 61.79 3din n VAL 151 Cb 0.67 -2.45 -0.03 0.00 -0.91 0.00 0.00 33.84 31.12 3din n VAL 151 CO 0.00 0.00 0.00 0.20 -1.32 0.00 0.00 176.83 175.71 3din s ASN 152 N 2.91 5.32 0.00 4.52 0.01 -1.26 -4.74 114.94 121.69 3din s ASN 152 Ca 0.57 1.78 0.00 0.00 -0.71 0.00 0.00 52.86 54.50 3din s ASN 152 Cb 0.15 -2.51 0.00 0.00 0.41 0.00 0.00 41.25 39.30 3din s ASN 152 CO -0.04 -2.08 0.00 1.33 -1.51 0.00 0.00 177.10 174.80 3din n VAL 153 N 7.80 0.00 -0.61 1.60 0.24 -1.26 -4.83 118.33 121.27 3din n VAL 153 Ca 0.31 0.00 0.07 0.00 -2.04 0.00 0.00 64.34 62.68 3din n VAL 153 Cb 0.46 -0.96 0.21 0.00 -1.47 0.00 0.00 33.84 32.09 3din n VAL 153 CO 0.00 0.00 0.00 -0.11 -2.14 0.00 0.00 176.83 174.58 3din n LEU 154 N -2.69 3.46 -1.84 1.34 0.00 -1.26 -5.05 117.00 110.95 3din n LEU 154 Ca 0.00 -2.54 0.00 0.00 0.00 0.00 0.00 56.01 53.47 3din n LEU 154 Cb 0.27 -0.40 0.00 0.00 0.00 0.00 0.00 43.42 43.29 3din n LEU 154 CO 0.00 0.70 -0.40 0.00 0.00 0.00 0.00 177.39 177.69 3din n GLN 155 N -0.01 -4.64 0.00 1.96 6.02 -1.26 -3.57 117.38 115.87 3din n GLN 155 Ca 0.17 3.38 0.01 0.00 -0.01 0.00 0.00 57.00 60.55 3din n GLN 155 Cb 0.68 -3.62 0.09 0.00 1.02 0.00 0.00 30.24 28.41 3din n GLN 155 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 3din n PHE 156 N 1.59 0.00 -0.07 1.08 -0.00 -1.26 -0.67 117.46 118.13 3din n PHE 156 Ca 0.00 0.00 -0.18 0.00 -0.00 0.00 0.00 57.45 57.27 3din n PHE 156 Cb 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 39.48 39.35 3din n PHE 156 CO 0.00 0.00 0.00 2.41 -0.00 0.00 0.00 176.76 179.17 3din n THR 157 N -0.59 1.61 0.14 -2.13 -1.04 -1.26 -1.82 114.28 109.18 3din n THR 157 Ca 0.02 -0.63 0.03 0.00 -2.04 0.00 0.00 64.05 61.43 3din n THR 157 Cb 0.01 -1.48 0.02 0.00 -1.82 0.00 0.00 70.33 67.07 3din n THR 157 CO 0.00 0.00 0.00 0.58 -0.64 0.00 0.00 175.07 175.01 3din h VAL 158 N 0.03 0.78 -0.12 12.58 2.07 -0.95 0.22 116.25 130.87 3din h VAL 158 Ca -0.50 -2.12 -0.20 0.00 0.82 0.00 0.00 66.70 64.70 3din h VAL 158 Cb 1.98 2.36 0.01 0.00 -1.52 0.00 0.00 31.29 34.12 3din h VAL 158 CO -0.00 0.44 -0.71 0.25 0.02 0.00 0.00 177.57 177.57 3din h LEU 159 N 0.00 0.83 -0.24 2.57 5.85 -1.03 -2.02 115.31 121.27 3din h LEU 159 Ca -0.02 -0.65 -0.17 0.00 0.84 0.00 0.00 57.88 57.88 3din h LEU 159 Cb 1.38 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 42.16 3din h LEU 159 CO 0.06 1.35 -0.51 -1.28 -0.34 0.00 0.00 178.44 177.72 3din h SER 160 N 0.37 0.87 -0.78 1.25 0.87 -1.30 -2.30 113.55 112.54 3din h SER 160 Ca -0.06 -0.55 0.21 0.00 -1.23 0.00 0.00 61.79 60.16 3din h SER 160 Cb 1.36 -0.25 -0.04 0.00 -0.44 0.00 0.00 62.40 63.03 3din h SER 160 CO 0.15 1.26 0.55 0.74 -0.53 0.00 0.00 176.83 178.99 3din h THR 161 N 0.51 0.65 0.18 2.23 2.02 -0.49 0.57 112.91 118.59 3din h THR 161 Ca 0.00 -0.04 -0.01 0.00 0.77 0.00 0.00 66.41 67.13 3din h THR 161 Cb 1.12 0.51 0.00 0.00 -1.74 0.00 0.00 68.15 68.05 3din h THR 161 CO 0.11 0.02 -0.09 0.24 0.37 0.00 0.00 175.52 176.18 3din h MET 162 N 0.13 -0.24 0.00 6.66 2.07 -0.81 0.75 114.93 123.49 3din h MET 162 Ca 0.38 0.02 0.00 0.00 -2.07 0.00 0.00 59.70 58.03 3din h MET 162 Cb 1.32 0.05 0.00 0.00 -1.87 0.00 0.00 31.60 31.10 3din h MET 162 CO -0.05 -0.16 0.00 0.45 1.07 0.00 0.00 176.91 178.22 3din n SER 163 N -2.93 0.00 -0.09 1.22 2.88 -0.74 0.25 113.62 114.20 3din n SER 163 Ca -0.03 0.49 -0.16 0.00 -1.33 0.00 0.00 58.87 57.84 3din n SER 163 Cb 0.10 -0.49 -0.08 0.00 -0.75 0.00 0.00 64.21 62.99 3din n SER 163 CO 0.00 0.00 0.00 0.23 -1.23 0.00 0.00 175.04 174.04 3din n MET 164 N -1.49 0.53 0.06 -1.46 2.81 0.19 -1.49 117.12 116.27 3din n MET 164 Ca 0.00 0.53 -0.13 0.00 -1.81 0.00 0.00 57.70 56.30 3din n MET 164 Cb 0.01 -1.71 -0.09 0.00 -0.71 0.00 0.00 33.22 30.73 3din n MET 164 CO 0.00 0.00 0.00 -0.07 1.51 0.00 0.00 175.97 177.41 3din h LEU 165 N -1.00 -0.14 -0.95 4.03 4.07 -0.47 0.35 115.31 121.20 3din h LEU 165 Ca -0.24 -0.32 -0.06 0.00 0.08 0.00 0.00 57.88 57.34 3din h LEU 165 Cb 1.04 0.04 -0.02 0.00 1.08 0.00 0.00 40.66 42.79 3din h LEU 165 CO -0.14 0.27 0.11 0.00 -1.08 0.00 0.00 178.44 177.59 3din h ALA 166 N 0.21 1.14 -0.79 1.53 0.00 -0.38 -1.87 119.26 119.09 3din h ALA 166 Ca -0.02 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.64 3din h ALA 166 Cb 0.46 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.99 3din h ALA 166 CO 0.03 0.57 0.38 0.78 0.00 0.00 0.00 179.25 181.01 3din h GLY 167 N 0.99 1.21 0.80 0.00 0.00 -1.14 -1.12 103.07 103.81 3din h GLY 167 Ca 0.18 -0.60 0.07 0.00 0.00 0.00 0.00 47.33 46.98 3din h GLY 167 CO 0.00 0.57 0.60 -0.84 0.00 0.00 0.00 176.54 176.88 3din h THR 168 N 1.11 1.05 0.32 4.70 2.02 0.48 -2.59 112.91 120.00 3din h THR 168 Ca 0.27 -0.36 -0.02 0.00 0.77 0.00 0.00 66.41 67.08 3din h THR 168 Cb 0.12 -0.08 0.00 0.00 -1.74 0.00 0.00 68.15 66.46 3din h THR 168 CO -0.03 0.19 -0.16 0.24 0.37 0.00 0.00 175.52 176.13 3din h MET 169 N 1.03 -0.42 -0.91 6.66 2.86 -0.59 0.24 114.93 123.80 3din h MET 169 Ca 0.41 0.03 0.11 0.00 -2.06 0.00 0.00 59.70 58.19 3din h MET 169 Cb 0.24 0.10 -0.07 0.00 0.06 0.00 0.00 31.60 31.92 3din h MET 169 CO -0.16 -0.18 0.59 0.27 1.06 0.00 0.00 176.91 178.48 3din h PHE 170 N -0.59 0.96 -0.01 -0.22 -5.15 -1.15 1.00 116.94 111.79 3din h PHE 170 Ca -0.04 0.03 -0.25 0.00 -0.20 0.00 0.00 57.97 57.50 3din h PHE 170 Cb 0.43 -0.31 0.01 0.00 0.22 0.00 0.00 35.95 36.31 3din h PHE 170 CO -0.01 0.41 -1.00 1.25 -2.00 0.00 0.00 178.31 176.96 3din h LEU 171 N 0.86 0.79 0.54 2.10 7.12 -1.36 -1.63 115.31 123.72 3din h LEU 171 Ca 0.44 -0.62 -0.03 0.00 0.13 0.00 0.00 57.88 57.80 3din h LEU 171 Cb 0.49 -0.24 0.01 0.00 -0.53 0.00 0.00 40.66 40.39 3din h LEU 171 CO -0.20 1.42 -0.26 -0.07 -0.13 0.00 0.00 178.44 179.20 3din h LEU 172 N 0.35 -0.62 -0.71 2.25 4.07 0.88 0.22 115.31 121.75 3din h LEU 172 Ca -0.11 -0.05 0.15 0.00 0.08 0.00 0.00 57.88 57.95 3din h LEU 172 Cb 1.64 0.16 -0.10 0.00 1.08 0.00 0.00 40.66 43.44 3din h LEU 172 CO 0.19 -0.29 0.20 -0.25 -1.08 0.00 0.00 178.44 177.20 3din h TRP 173 N -0.96 0.32 -0.16 1.13 2.91 0.90 0.55 115.95 120.63 3din h TRP 173 Ca -0.07 0.04 -0.00 0.00 1.13 0.00 0.00 58.89 59.98 3din h TRP 173 Cb 0.63 -0.03 -0.01 0.00 -0.51 0.00 0.00 29.16 29.24 3din h TRP 173 CO 0.00 -0.04 0.09 1.25 -1.03 0.00 0.00 178.44 178.72 3din h LEU 174 N 0.31 0.20 -0.28 0.65 5.85 -1.15 -2.86 115.31 118.03 3din h LEU 174 Ca 0.39 -0.07 0.06 0.00 0.84 0.00 0.00 57.88 59.10 3din h LEU 174 Cb 0.64 -0.05 -0.08 0.00 0.37 0.00 0.00 40.66 41.54 3din h LEU 174 CO -0.46 0.22 -0.43 1.23 -0.34 0.00 0.00 178.44 178.66 3din h GLY 175 N 0.17 -0.64 -0.22 3.75 0.00 0.17 0.30 103.07 106.61 3din h GLY 175 Ca 0.06 0.54 0.08 0.00 0.00 0.00 0.00 47.33 48.01 3din h GLY 175 CO -0.01 -0.20 -0.35 0.83 0.00 0.00 0.00 176.54 176.81 3din h GLU 176 N -0.40 -0.26 -0.81 4.80 4.39 -1.20 0.82 114.58 121.92 3din h GLU 176 Ca 0.11 0.02 0.03 0.00 0.34 0.00 0.00 59.36 59.86 3din h GLU 176 Cb 0.60 0.06 -0.05 0.00 -0.10 0.00 0.00 28.75 29.26 3din h GLU 176 CO -0.50 -0.17 0.52 0.00 -1.16 0.00 0.00 179.01 177.70 3din h ARG 177 N -0.27 0.97 -0.07 2.33 -0.00 -1.15 0.18 114.38 116.38 3din h ARG 177 Ca 0.17 -0.06 -0.02 0.00 -0.50 0.00 0.00 59.98 59.57 3din h ARG 177 Cb 0.55 -0.22 -0.01 0.00 0.00 0.00 0.00 29.97 30.30 3din h ARG 177 CO -0.56 0.64 -0.03 0.82 0.00 0.00 0.00 179.97 180.85 3din h ILE 178 N 1.00 1.07 -0.03 2.04 1.08 0.20 0.30 117.51 123.17 3din h ILE 178 Ca 0.33 -0.27 0.00 0.00 -0.39 0.00 0.00 64.86 64.52 3din h ILE 178 Cb 0.02 1.05 0.00 0.00 -3.07 0.00 0.00 36.82 34.82 3din h ILE 178 CO -0.12 0.09 0.00 0.41 -0.69 0.00 0.00 178.15 177.84 3din n THR 179 N -4.45 0.04 0.60 -0.27 -1.04 0.26 0.11 114.28 109.52 3din n THR 179 Ca -0.02 -0.04 0.06 0.00 -2.04 0.00 0.00 64.05 62.02 3din n THR 179 Cb 0.15 -0.02 -0.08 0.00 -1.82 0.00 0.00 70.33 68.56 3din n THR 179 CO 0.00 0.00 0.00 1.21 -0.64 0.00 0.00 175.07 175.64 3din n GLU 180 N -0.46 2.46 0.00 -2.82 2.13 0.10 -4.69 120.64 117.37 3din n GLU 180 Ca 0.03 -0.01 0.00 0.00 0.66 0.00 0.00 57.16 57.84 3din n GLU 180 Cb 0.03 -1.14 0.00 0.00 0.27 0.00 0.00 31.44 30.60 3din n GLU 180 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 3din n LYS 181 N -1.35 3.46 0.00 5.31 4.01 -1.12 -5.06 118.16 123.42 3din n LYS 181 Ca 0.02 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.82 3din n LYS 181 Cb 0.22 -0.44 0.00 0.00 -0.51 0.00 0.00 35.03 34.30 3din n LYS 181 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 3din n GLY 182 N 0.13 0.60 3.62 0.72 0.00 0.29 -4.87 105.19 105.69 3din n GLY 182 Ca 0.00 -0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.96 3din n GLY 182 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3din s ILE 183 N 0.03 0.00 -1.36 -0.61 1.10 0.15 -4.80 121.20 115.71 3din s ILE 183 Ca 0.00 0.00 0.03 0.00 -0.51 0.00 0.00 60.65 60.17 3din s ILE 183 Cb 0.00 -1.00 0.05 0.00 0.15 0.00 0.00 42.46 41.66 3din s ILE 183 CO 0.00 0.00 0.94 0.61 -2.11 0.00 0.00 174.94 174.38 3din n GLY 184 N 0.85 -0.42 0.35 1.50 0.00 -1.26 0.87 105.19 107.08 3din n GLY 184 Ca -0.06 -0.01 0.05 0.00 0.00 0.00 0.00 46.02 45.99 3din n GLY 184 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3din n ASN 185 N -1.32 1.68 0.24 1.61 2.85 -1.26 -4.41 115.26 114.65 3din n ASN 185 Ca 0.01 -1.34 0.10 0.00 -0.11 0.00 0.00 54.58 53.24 3din n ASN 185 Cb 0.03 0.10 0.58 0.00 1.24 0.00 0.00 39.78 41.73 3din n ASN 185 CO 0.00 0.00 0.00 1.23 -2.11 0.00 0.00 177.26 176.38 3din h GLY 186 N 1.95 0.00 1.27 8.20 0.00 0.12 -0.74 103.07 113.86 3din h GLY 186 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 47.16 3din h GLY 186 CO 0.00 0.00 -0.50 0.16 0.00 0.00 0.00 176.54 176.20 3din h ILE 187 N 0.00 1.29 -0.20 2.60 -0.00 -1.77 -2.71 117.51 116.73 3din h ILE 187 Ca -0.00 -1.70 -0.09 0.00 -0.00 0.00 0.00 64.86 63.07 3din h ILE 187 Cb 0.49 1.60 -0.00 0.00 -0.00 0.00 0.00 36.82 38.91 3din h ILE 187 CO 0.03 0.55 -0.22 0.28 -0.00 0.00 0.00 178.15 178.78 3din h SER 188 N 0.61 0.54 -0.01 2.16 0.02 -1.58 -2.65 113.55 112.64 3din h SER 188 Ca 0.03 -0.49 0.00 0.00 -0.84 0.00 0.00 61.79 60.49 3din h SER 188 Cb 1.08 -0.15 -0.00 0.00 0.14 0.00 0.00 62.40 63.47 3din h SER 188 CO 0.11 0.92 0.01 -0.29 -1.14 0.00 0.00 176.83 176.44 3din h ILE 189 N 0.16 0.49 -0.15 3.27 6.09 -1.18 0.53 117.51 126.72 3din h ILE 189 Ca 0.03 0.00 -0.13 0.00 -1.37 0.00 0.00 64.86 63.39 3din h ILE 189 Cb 0.78 0.99 -0.01 0.00 0.47 0.00 0.00 36.82 39.04 3din h ILE 189 CO 0.05 0.00 -0.46 0.25 -3.07 0.00 0.00 178.15 174.92 3din h LEU 190 N 0.00 0.41 -0.08 2.19 6.46 -1.13 0.60 115.31 123.75 3din h LEU 190 Ca 0.01 -0.19 -0.06 0.00 -0.12 0.00 0.00 57.88 57.52 3din h LEU 190 Cb 0.03 -0.11 0.00 0.00 -0.73 0.00 0.00 40.66 39.85 3din h LEU 190 CO -0.00 0.81 -0.17 0.40 -0.62 0.00 0.00 178.44 178.86 3din h ILE 191 N 0.31 1.41 -0.53 4.05 2.04 0.16 -2.03 117.51 122.91 3din h ILE 191 Ca 0.02 -1.49 -0.03 0.00 1.00 0.00 0.00 64.86 64.36 3din h ILE 191 Cb 0.93 2.19 -0.02 0.00 -0.74 0.00 0.00 36.82 39.19 3din h ILE 191 CO 0.08 0.42 0.22 -0.26 0.00 0.00 0.00 178.15 178.61 3din h PHE 192 N -0.23 0.81 -0.31 1.37 0.05 -0.91 0.14 116.94 117.85 3din h PHE 192 Ca 0.00 -0.06 0.07 0.00 3.82 0.00 0.00 57.97 61.80 3din h PHE 192 Cb 0.76 -0.24 -0.07 0.00 2.00 0.00 0.00 35.95 38.40 3din h PHE 192 CO 0.11 0.66 -0.18 0.00 -0.18 0.00 0.00 178.31 178.72 3din h ALA 193 N 1.07 0.05 0.31 2.45 0.00 0.20 0.37 119.26 123.70 3din h ALA 193 Ca 0.18 0.11 -0.02 0.00 0.00 0.00 0.00 54.91 55.19 3din h ALA 193 Cb 0.18 0.42 0.00 0.00 0.00 0.00 0.00 17.79 18.39 3din h ALA 193 CO -0.02 -0.57 -0.15 0.78 0.00 0.00 0.00 179.25 179.29 3din h GLY 194 N -0.14 -0.43 0.95 0.00 0.00 -0.73 -2.07 103.07 100.65 3din h GLY 194 Ca 0.16 0.16 -0.00 0.00 0.00 0.00 0.00 47.33 47.65 3din h GLY 194 CO -0.40 -0.16 -0.10 -2.22 0.00 0.00 0.00 176.54 173.66 3din h ILE 195 N -0.42 0.78 0.00 2.60 2.04 -0.32 -1.42 117.51 120.78 3din h ILE 195 Ca -0.04 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.82 3din h ILE 195 Cb 0.32 0.78 0.00 0.00 -0.74 0.00 0.00 36.82 37.18 3din h ILE 195 CO 0.07 0.00 0.00 0.52 0.00 0.00 0.00 178.15 178.74 3din n VAL 196 N -5.22 0.08 0.31 1.67 0.31 0.13 -1.55 118.33 114.06 3din n VAL 196 Ca -0.08 0.02 0.04 0.00 -0.01 0.00 0.00 64.34 64.31 3din n VAL 196 Cb 0.14 -0.81 -0.06 0.00 -0.91 0.00 0.00 33.84 32.21 3din n VAL 196 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3din n ALA 197 N -1.04 2.96 0.12 3.52 0.00 -0.71 -4.34 120.51 121.02 3din n ALA 197 Ca 0.10 -0.25 -0.22 0.00 0.00 0.00 0.00 53.44 53.07 3din n ALA 197 Cb 0.05 -0.32 -0.15 0.00 0.00 0.00 0.00 19.45 19.03 3din n ALA 197 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3din h ARG 198 N 0.00 0.43 0.00 0.00 3.08 -0.26 -3.32 114.38 114.31 3din h ARG 198 Ca 0.00 -0.74 -0.13 0.00 0.07 0.00 0.00 59.98 59.17 3din h ARG 198 Cb 0.27 0.28 -0.02 0.00 0.08 0.00 0.00 29.97 30.57 3din h ARG 198 CO 0.00 1.35 -0.64 1.88 -1.07 0.00 0.00 179.97 181.48 3din h TYR 199 N 0.12 0.00 -0.00 3.04 -1.99 -1.78 -3.28 116.97 113.08 3din h TYR 199 Ca -0.24 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.49 3din h TYR 199 Cb 2.10 0.00 0.00 0.00 2.00 0.00 0.00 36.73 40.83 3din h TYR 199 CO 0.10 0.64 -0.19 -0.35 -0.00 0.00 0.00 178.16 178.37 3din n PRO 200 N -3.45 0.14 -0.74 4.88 -0.04 -1.26 -3.38 135.00 131.15 3din n PRO 200 Ca 0.00 -0.04 0.06 0.00 -0.04 0.00 0.00 63.50 63.48 3din n PRO 200 Cb 0.72 -1.50 0.34 0.00 -0.04 0.00 0.00 33.50 33.02 3din n PRO 200 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 3din n SER 201 N -1.39 4.94 -2.77 3.54 3.41 -1.24 -4.96 113.62 115.16 3din n SER 201 Ca 0.08 -2.75 -0.07 0.00 -0.26 0.00 0.00 58.87 55.87 3din n SER 201 Cb 0.32 -0.65 0.01 0.00 -0.26 0.00 0.00 64.21 63.64 3din n SER 201 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 3din n TYR 202 N 0.58 -3.25 -0.03 7.33 4.01 -1.22 -4.99 117.16 119.59 3din n TYR 202 Ca 0.23 1.31 -0.02 0.00 -0.16 0.00 0.00 57.90 59.26 3din n TYR 202 Cb 1.03 -3.93 -0.07 0.00 -0.31 0.00 0.00 39.34 36.06 3din n TYR 202 CO 0.00 0.00 0.00 1.51 -0.46 0.00 0.00 176.86 177.91 3din n ILE 203 N -0.36 0.46 -2.63 -0.72 3.06 -1.24 -4.87 119.36 113.05 3din n ILE 203 Ca 0.11 -0.32 -0.03 0.00 -2.50 0.00 0.00 62.75 60.01 3din n ILE 203 Cb 0.43 -0.58 -0.02 0.00 0.54 0.00 0.00 39.64 40.02 3din n ILE 203 CO 0.00 0.00 0.00 -1.14 -2.50 0.00 0.00 176.55 172.91 3din n ARG 204 N -2.21 0.12 -3.17 9.51 3.00 -1.26 -5.07 116.66 117.58 3din n ARG 204 Ca -0.11 -0.53 -0.22 0.00 -0.00 0.00 0.00 57.85 56.99 3din n ARG 204 Cb 0.67 0.01 -0.06 0.00 0.00 0.00 0.00 32.46 33.07 3din n ARG 204 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.63 178.57 3din n GLN 205 N -0.44 0.54 -0.05 -0.14 -0.06 -1.26 -4.84 117.38 111.13 3din n GLN 205 Ca -0.23 -2.94 0.00 0.00 -2.00 0.00 0.00 57.00 51.82 3din n GLN 205 Cb 0.61 -1.40 0.00 0.00 -4.06 0.00 0.00 30.24 25.39 3din n GLN 205 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 3din n ALA 206 N 2.00 0.75 0.00 1.69 0.00 -1.26 -4.89 120.51 118.80 3din n ALA 206 Ca 0.22 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.59 3din n ALA 206 Cb 0.53 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.85 3din n ALA 206 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 177.50 177.60 3din h TYR 207 N 0.00 0.00 -3.57 0.00 -0.00 -2.03 -3.46 116.97 107.91 3din h TYR 207 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 58.73 58.44 3din h TYR 207 Cb 0.65 0.00 -0.33 0.00 0.00 0.00 0.00 36.73 37.05 3din h TYR 207 CO -0.03 0.94 -0.73 -0.51 -0.00 0.00 0.00 178.16 177.84 3din s LEU 208 N -6.19 1.28 0.00 0.10 1.43 -1.26 -5.06 118.68 108.98 3din s LEU 208 Ca -0.03 0.03 0.00 0.00 -1.03 0.00 0.00 54.13 53.10 3din s LEU 208 Cb 0.08 -0.06 0.00 0.00 0.03 0.00 0.00 46.19 46.24 3din s LEU 208 CO 0.82 -0.10 0.00 0.61 0.23 0.00 0.00 176.35 177.91 3din n GLY 209 N 3.94 0.63 0.00 -3.19 0.00 -1.26 -5.07 105.19 100.25 3din n GLY 209 Ca -0.24 -1.37 0.00 0.00 0.00 0.00 0.00 46.02 44.40 3din n GLY 209 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3din n GLY 210 N 0.00 -1.84 3.77 -0.02 0.00 -1.26 -4.89 105.19 100.94 3din n GLY 210 Ca 0.00 -1.36 -0.27 0.00 0.00 0.00 0.00 46.02 44.40 3din n GLY 210 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3din n LEU 211 N -1.12 -2.97 -2.63 0.99 4.77 -1.26 -4.79 117.00 109.99 3din n LEU 211 Ca 0.00 -0.70 -0.02 0.00 -0.03 0.00 0.00 56.01 55.26 3din n LEU 211 Cb 0.00 -2.75 0.13 0.00 -2.33 0.00 0.00 43.42 38.46 3din n LEU 211 CO 0.00 0.52 0.63 0.59 -1.33 0.00 0.00 177.39 177.80 3din n ASN 212 N -2.93 -1.43 -1.49 -1.43 3.02 -1.26 -5.01 115.26 104.72 3din n ASN 212 Ca -0.02 -2.19 0.00 0.00 -0.03 0.00 0.00 54.58 52.34 3din n ASN 212 Cb 0.56 0.67 0.00 0.00 -0.61 0.00 0.00 39.78 40.40 3din n ASN 212 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3din n LEU 213 N -1.51 1.56 0.12 3.41 4.77 -1.26 -3.49 117.00 120.60 3din n LEU 213 Ca -0.18 -0.72 -0.02 0.00 -0.03 0.00 0.00 56.01 55.06 3din n LEU 213 Cb 0.87 -0.31 0.13 0.00 -2.33 0.00 0.00 43.42 41.78 3din n LEU 213 CO -0.16 0.28 0.45 -0.07 -1.33 0.00 0.00 177.39 176.57 3din h LEU 214 N 2.84 0.02 -1.92 2.23 3.38 -2.00 -2.98 115.31 116.88 3din h LEU 214 Ca 0.00 -0.02 0.21 0.00 0.09 0.00 0.00 57.88 58.17 3din h LEU 214 Cb 0.35 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 41.07 3din h LEU 214 CO 0.00 0.68 0.63 -0.33 0.09 0.00 0.00 178.44 179.51 3din h GLU 215 N 0.01 0.00 0.02 1.13 5.08 -1.99 0.26 114.58 119.10 3din h GLU 215 Ca -0.01 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.24 3din h GLU 215 Cb 1.18 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.44 3din h GLU 215 CO 0.09 0.00 -0.46 2.35 -1.00 0.00 0.00 179.01 179.98 3din h TRP 216 N 0.00 0.43 -0.39 4.33 2.91 -1.85 -2.48 115.95 118.90 3din h TRP 216 Ca 0.35 -0.25 -0.10 0.00 1.13 0.00 0.00 58.89 60.03 3din h TRP 216 Cb 1.60 -0.04 -0.02 0.00 -0.51 0.00 0.00 29.16 30.19 3din h TRP 216 CO 0.00 1.08 -0.15 0.82 -1.03 0.00 0.00 178.44 179.16 3din h ILE 217 N -0.34 1.26 -0.48 2.65 2.04 -1.05 -2.29 117.51 119.30 3din h ILE 217 Ca -0.06 -1.20 -0.06 0.00 1.00 0.00 0.00 64.86 64.54 3din h ILE 217 Cb 1.22 1.12 -0.02 0.00 -0.74 0.00 0.00 36.82 38.40 3din h ILE 217 CO 0.09 0.40 0.08 -0.26 0.00 0.00 0.00 178.15 178.46 3din h PHE 218 N 0.64 0.85 -0.91 1.37 0.05 -0.65 -1.87 116.94 116.43 3din h PHE 218 Ca 0.10 -0.12 0.11 0.00 3.82 0.00 0.00 57.97 61.89 3din h PHE 218 Cb 0.62 -0.23 -0.07 0.00 2.00 0.00 0.00 35.95 38.26 3din h PHE 218 CO 0.03 0.79 0.58 -0.07 -0.18 0.00 0.00 178.31 179.46 3din h LEU 219 N 0.67 0.78 -0.90 1.54 3.38 -1.15 -0.04 115.31 119.59 3din h LEU 219 Ca 0.15 0.03 0.06 0.00 0.09 0.00 0.00 57.88 58.21 3din h LEU 219 Cb 0.39 -0.13 -0.06 0.00 0.09 0.00 0.00 40.66 40.96 3din h LEU 219 CO 0.01 0.43 0.56 0.40 0.09 0.00 0.00 178.44 179.94 3din h ILE 220 N 0.84 1.06 -0.34 1.22 2.04 -0.78 0.02 117.51 121.57 3din h ILE 220 Ca 0.44 -0.35 0.07 0.00 1.00 0.00 0.00 64.86 66.01 3din h ILE 220 Cb 0.51 -0.06 -0.02 0.00 -0.74 0.00 0.00 36.82 36.51 3din h ILE 220 CO -0.20 0.19 0.23 0.00 0.00 0.00 0.00 178.15 178.37 3din h ALA 221 N 1.42 2.11 -0.30 1.87 0.00 -0.69 0.15 119.26 123.81 3din h ALA 221 Ca 0.39 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 55.18 3din h ALA 221 Cb 0.17 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 3din h ALA 221 CO -0.17 -0.18 -0.28 0.28 0.00 0.00 0.00 179.25 178.90 3din h VAL 222 N 0.16 1.28 -0.17 0.00 2.07 -0.86 -2.90 116.25 115.83 3din h VAL 222 Ca 0.15 -1.37 0.03 0.00 0.82 0.00 0.00 66.70 66.33 3din h VAL 222 Cb 0.40 1.35 -0.03 0.00 -1.52 0.00 0.00 31.29 31.49 3din h VAL 222 CO -0.02 0.44 0.01 0.00 0.02 0.00 0.00 177.57 178.02 3din h ALA 223 N 1.17 0.15 -0.59 1.67 0.00 -0.35 -1.74 119.26 119.56 3din h ALA 223 Ca 0.07 0.04 0.08 0.00 0.00 0.00 0.00 54.91 55.10 3din h ALA 223 Cb 0.75 0.07 -0.07 0.00 0.00 0.00 0.00 17.79 18.54 3din h ALA 223 CO 0.06 -0.43 0.24 -0.07 0.00 0.00 0.00 179.25 179.05 3din h LEU 224 N 0.06 0.28 -0.22 0.00 4.07 -1.32 -1.58 115.31 116.61 3din h LEU 224 Ca 0.08 0.07 0.06 0.00 0.08 0.00 0.00 57.88 58.16 3din h LEU 224 Cb 0.09 0.03 -0.06 0.00 1.08 0.00 0.00 40.66 41.79 3din h LEU 224 CO -0.13 0.17 -0.20 0.40 -1.08 0.00 0.00 178.44 177.60 3din h ILE 225 N 0.45 0.46 -0.62 1.22 2.04 -1.20 -2.20 117.51 117.65 3din h ILE 225 Ca 0.29 0.00 0.12 0.00 1.00 0.00 0.00 64.86 66.27 3din h ILE 225 Cb 0.32 0.46 -0.12 0.00 -0.74 0.00 0.00 36.82 36.74 3din h ILE 225 CO -0.27 0.00 -0.23 0.74 0.00 0.00 0.00 178.15 178.39 3din h THR 226 N -0.21 0.27 -0.94 -0.27 2.02 -0.44 -1.14 112.91 112.21 3din h THR 226 Ca 0.13 0.00 0.14 0.00 0.77 0.00 0.00 66.41 67.46 3din h THR 226 Cb 0.41 0.27 -0.08 0.00 -1.74 0.00 0.00 68.15 67.02 3din h THR 226 CO -0.35 0.00 0.60 0.40 0.37 0.00 0.00 175.52 176.54 3din h ILE 227 N -0.07 0.84 -0.40 3.11 2.04 -1.10 -0.93 117.51 120.99 3din h ILE 227 Ca 0.28 -0.27 0.07 0.00 1.00 0.00 0.00 64.86 65.95 3din h ILE 227 Cb 0.51 -0.01 -0.06 0.00 -0.74 0.00 0.00 36.82 36.53 3din h ILE 227 CO -0.67 0.14 0.05 -0.26 0.00 0.00 0.00 178.15 177.40 3din h PHE 228 N 0.78 0.07 -0.69 1.37 -1.00 -1.04 -3.03 116.94 113.40 3din h PHE 228 Ca 0.48 0.03 0.14 0.00 2.81 0.00 0.00 57.97 61.42 3din h PHE 228 Cb 0.69 0.03 -0.13 0.00 3.61 0.00 0.00 35.95 40.15 3din h PHE 228 CO -0.00 -0.03 -0.19 0.78 -1.61 0.00 0.00 178.31 177.26 3din h GLY 229 N 0.17 0.44 -0.03 -1.45 0.00 -1.12 -3.09 103.07 97.98 3din h GLY 229 Ca 0.20 0.25 0.00 0.00 0.00 0.00 0.00 47.33 47.78 3din h GLY 229 CO -0.29 -0.26 -0.02 -2.22 0.00 0.00 0.00 176.54 173.75 3din h ILE 230 N -0.02 0.00 0.00 2.60 5.03 -1.59 -1.83 117.51 121.70 3din h ILE 230 Ca 0.32 0.00 0.00 0.00 -0.12 0.00 0.00 64.86 65.06 3din h ILE 230 Cb 0.51 0.00 0.00 0.00 -3.03 0.00 0.00 36.82 34.30 3din h ILE 230 CO -0.71 0.00 0.00 -0.38 -0.68 0.00 0.00 178.15 176.38 3din n ILE 231 N -3.02 0.21 0.00 -0.67 5.41 -1.17 -4.82 119.36 115.30 3din n ILE 231 Ca 0.00 0.06 0.00 0.00 1.00 0.00 0.00 62.75 63.81 3din n ILE 231 Cb 0.01 -1.06 0.00 0.00 -0.71 0.00 0.00 39.64 37.89 3din n ILE 231 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3din n LEU 232 N -1.03 0.00 -1.90 1.39 -0.00 -0.69 -1.09 117.00 113.68 3din n LEU 232 Ca 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 56.01 55.88 3din n LEU 232 Cb 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 43.42 43.39 3din n LEU 232 CO 0.00 0.00 1.30 1.33 -0.00 0.00 0.00 177.39 180.02 3din n VAL 233 N 0.00 2.69 -1.53 1.47 0.24 -1.23 -4.94 118.33 115.02 3din n VAL 233 Ca 0.00 -1.52 -0.28 0.00 -2.04 0.00 0.00 64.34 60.51 3din n VAL 233 Cb 0.00 -1.56 -0.11 0.00 -1.47 0.00 0.00 33.84 30.70 3din n VAL 233 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3din n GLN 234 N 1.21 0.45 -3.77 7.34 10.64 -0.25 -4.12 117.38 128.88 3din n GLN 234 Ca 0.27 -0.24 -0.11 0.00 -1.83 0.00 0.00 57.00 55.09 3din n GLN 234 Cb 0.62 -2.55 -0.07 0.00 -0.86 0.00 0.00 30.24 27.37 3din n GLN 234 CO 0.00 0.00 0.00 -1.14 -1.83 0.00 0.00 177.06 174.09 3din s GLN 235 N 8.35 0.82 0.00 2.61 -0.44 -1.26 -4.65 119.66 125.09 3din s GLN 235 Ca 1.12 -0.57 0.00 0.00 -2.50 0.00 0.00 55.36 53.41 3din s GLN 235 Cb -0.55 0.35 0.00 0.00 -1.64 0.00 0.00 33.01 31.17 3din s GLN 235 CO 0.33 -0.26 0.00 0.00 0.50 0.00 0.00 175.29 175.86 3din n ALA 236 N 0.48 0.00 -2.22 1.58 0.00 0.25 0.75 120.51 121.35 3din n ALA 236 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.26 3din n ALA 236 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.05 3din n ALA 236 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 3din n GLU 237 N 0.00 0.00 -0.21 0.00 0.00 -1.26 -0.14 120.64 119.03 3din n GLU 237 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.16 3din n GLU 237 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.44 3din n GLU 237 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.13 180.02 3din n ARG 238 N 0.00 0.00 -1.52 3.44 1.85 -1.26 -4.57 116.66 114.60 3din n ARG 238 Ca 0.00 0.00 0.01 0.00 -1.00 0.00 0.00 57.85 56.86 3din n ARG 238 Cb 0.00 0.00 -0.01 0.00 -1.05 0.00 0.00 32.46 31.40 3din n ARG 238 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 3din n ARG 239 N 0.00 -3.58 -4.18 2.89 5.12 -1.26 -4.75 116.66 110.90 3din n ARG 239 Ca 0.00 2.79 -0.16 0.00 -1.93 0.00 0.00 57.85 58.55 3din n ARG 239 Cb 0.00 -3.60 -0.11 0.00 -1.16 0.00 0.00 32.46 27.59 3din n ARG 239 CO 0.00 0.00 0.00 0.96 -1.93 0.00 0.00 177.63 176.66 3din s ILE 240 N -5.19 1.03 -0.28 0.55 -5.25 -1.26 -5.06 121.20 105.74 3din s ILE 240 Ca 0.00 -1.51 -0.28 0.00 -0.99 0.00 0.00 60.65 57.87 3din s ILE 240 Cb 0.00 -1.24 0.18 0.00 2.95 0.00 0.00 42.46 44.35 3din s ILE 240 CO 0.00 -0.42 1.34 -0.89 -1.79 0.00 0.00 174.94 173.18 3din s THR 241 N -1.95 0.00 -0.18 8.37 2.01 -1.26 -4.81 115.64 117.82 3din s THR 241 Ca 0.03 0.00 -0.04 0.00 0.31 0.00 0.00 61.69 61.98 3din s THR 241 Cb -0.06 -1.00 0.09 0.00 0.01 0.00 0.00 72.50 71.54 3din s THR 241 CO 0.01 0.00 0.28 0.27 -0.69 0.00 0.00 174.62 174.49 3din s ILE 242 N -0.80 -0.43 -0.24 1.82 -4.36 -1.26 -5.12 121.20 110.81 3din s ILE 242 Ca 0.07 0.07 -0.04 0.00 -0.26 0.00 0.00 60.65 60.50 3din s ILE 242 Cb -0.02 -0.61 0.00 0.00 1.25 0.00 0.00 42.46 43.09 3din s ILE 242 CO -0.08 -0.04 -0.03 -1.58 0.24 0.00 0.00 174.94 173.44 3din s GLN 243 N 2.42 3.21 0.23 0.37 -0.44 -1.26 -4.46 119.66 119.73 3din s GLN 243 Ca 0.05 -0.74 0.02 0.00 -2.50 0.00 0.00 55.36 52.20 3din s GLN 243 Cb -0.14 -3.05 -0.01 0.00 -1.64 0.00 0.00 33.01 28.18 3din s GLN 243 CO -0.11 -0.28 0.07 2.48 0.50 0.00 0.00 175.29 177.95 3din n TYR 244 N 4.78 0.16 -2.88 1.67 0.18 -1.25 -5.09 117.16 114.72 3din n TYR 244 Ca -0.17 -1.39 0.00 0.00 1.88 0.00 0.00 57.90 58.22 3din n TYR 244 Cb 0.50 -0.03 0.00 0.00 -0.38 0.00 0.00 39.34 39.43 3din n TYR 244 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 3din n ALA 245 N -1.99 0.00 -4.07 -3.48 0.00 -1.26 -4.21 120.51 105.50 3din n ALA 245 Ca -0.09 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.03 3din n ALA 245 Cb 0.33 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.63 3din n ALA 245 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 3din s ARG 246 N 0.00 2.54 -1.31 0.00 3.52 -1.26 -4.80 118.95 117.65 3din s ARG 246 Ca 0.00 -1.14 -0.05 0.00 -0.13 0.00 0.00 55.73 54.40 3din s ARG 246 Cb 0.00 -2.78 0.01 0.00 -1.56 0.00 0.00 34.95 30.63 3din s ARG 246 CO 0.00 -0.43 1.07 -2.13 -0.81 0.00 0.00 175.30 173.00 3din n ARG 247 N 4.51 -7.11 -3.70 5.12 0.63 -1.26 -5.03 116.66 109.82 3din n ARG 247 Ca -0.17 0.81 -0.12 0.00 -0.92 0.00 0.00 57.85 57.45 3din n ARG 247 Cb 0.45 -5.81 -0.12 0.00 0.45 0.00 0.00 32.46 27.43 3din n ARG 247 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 3din s VAL 248 N -3.36 -0.15 0.00 5.15 1.01 -1.26 -5.17 120.40 116.63 3din s VAL 248 Ca 0.34 0.16 0.00 0.00 0.00 0.00 0.00 61.98 62.48 3din s VAL 248 Cb -0.15 -0.48 0.00 0.00 0.00 0.00 0.00 36.38 35.75 3din s VAL 248 CO 0.74 0.06 0.00 0.41 0.00 0.00 0.00 175.10 176.32 3din n THR 249 N 4.52 0.00 -3.22 3.92 -1.04 -1.26 -3.79 114.28 113.41 3din n THR 249 Ca -0.20 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.81 3din n THR 249 Cb 0.53 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.04 3din n THR 249 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3din n GLY 250 N 0.00 2.64 3.56 3.41 0.00 -1.26 -5.11 105.19 108.42 3din n GLY 250 Ca 0.00 -1.18 -0.07 0.00 0.00 0.00 0.00 46.02 44.77 3din n GLY 250 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3din s ARG 251 N -1.81 0.88 0.28 1.61 1.81 -1.26 -4.79 118.95 115.66 3din s ARG 251 Ca 0.00 -0.37 0.03 0.00 -1.72 0.00 0.00 55.73 53.66 3din s ARG 251 Cb 0.00 0.37 -0.04 0.00 -0.45 0.00 0.00 34.95 34.84 3din s ARG 251 CO 0.00 -0.39 0.16 1.03 -0.68 0.00 0.00 175.30 175.42 3din s ARG 252 N -3.13 1.50 0.00 3.54 0.52 -1.26 -5.17 118.95 114.95 3din s ARG 252 Ca 0.07 -1.84 0.00 0.00 -0.52 0.00 0.00 55.73 53.44 3din s ARG 252 Cb -0.01 0.05 0.00 0.00 0.52 0.00 0.00 34.95 35.51 3din s ARG 252 CO -0.06 -0.45 0.00 0.28 0.02 0.00 0.00 175.30 175.09 3din n VAL 253 N -0.49 0.00 0.00 3.52 0.31 -1.26 -5.10 118.33 115.31 3din n VAL 253 Ca 0.02 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.35 3din n VAL 253 Cb 0.65 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.58 3din n VAL 253 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3din n TYR 254 N 0.00 0.00 0.00 3.52 0.18 -1.26 -5.08 117.16 114.52 3din n TYR 254 Ca 0.00 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.78 3din n TYR 254 Cb 0.00 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 38.96 3din n TYR 254 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 3din n GLY 255 N -0.00 0.00 1.15 -7.48 0.00 -1.26 -5.18 105.19 92.42 3din n GLY 255 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 3din n GLY 255 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3din n GLY 256 N 0.00 -1.44 2.69 -0.02 0.00 -1.26 -5.08 105.19 100.08 3din n GLY 256 Ca 0.00 -1.65 -0.04 0.00 0.00 0.00 0.00 46.02 44.33 3din n GLY 256 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3din n ALA 257 N -3.31 -3.19 -3.31 4.61 0.00 -1.26 -5.17 120.51 108.88 3din n ALA 257 Ca -0.06 -0.36 -0.13 0.00 0.00 0.00 0.00 53.44 52.89 3din n ALA 257 Cb 0.18 -2.81 -0.01 0.00 0.00 0.00 0.00 19.45 16.81 3din n ALA 257 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3din s SER 258 N 0.29 0.60 0.00 0.00 1.04 -1.26 -5.17 113.70 109.21 3din s SER 258 Ca 0.26 -1.40 0.00 0.00 0.48 0.00 0.00 55.95 55.29 3din s SER 258 Cb 0.15 0.77 0.00 0.00 0.10 0.00 0.00 66.02 67.04 3din s SER 258 CO -0.11 -1.52 0.00 0.41 0.98 0.00 0.00 173.24 173.00 3din n THR 259 N -0.57 0.00 -1.66 2.02 -1.04 -1.26 -5.07 114.28 106.70 3din n THR 259 Ca -0.03 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.98 3din n THR 259 Cb 0.61 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.12 3din n THR 259 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 3din n TYR 260 N 0.00 -4.48 -3.72 -1.42 0.53 -1.26 -5.12 117.16 101.68 3din n TYR 260 Ca 0.00 2.41 -0.06 0.00 -1.02 0.00 0.00 57.90 59.23 3din n TYR 260 Cb 0.00 -3.64 -0.01 0.00 -1.03 0.00 0.00 39.34 34.66 3din n TYR 260 CO 0.00 0.00 0.00 1.28 -1.02 0.00 0.00 176.86 177.12 3din n LEU 261 N -1.88 0.00 -4.64 7.72 4.77 -1.26 -5.17 117.00 116.55 3din n LEU 261 Ca 0.00 -1.15 -0.40 0.00 -0.03 0.00 0.00 56.01 54.43 3din n LEU 261 Cb 0.28 1.09 -0.06 0.00 -2.33 0.00 0.00 43.42 42.39 3din n LEU 261 CO 0.00 -0.27 0.37 -2.16 -1.33 0.00 0.00 177.39 173.99 3din s PRO 262 N -2.30 4.13 -0.08 3.23 0.04 -1.26 -5.05 135.00 133.71 3din s PRO 262 Ca 0.11 0.54 0.02 0.00 0.04 0.00 0.00 61.00 61.71 3din s PRO 262 Cb -0.01 -3.63 0.01 0.00 0.04 0.00 0.00 34.50 30.92 3din s PRO 262 CO 0.08 -0.35 -0.16 0.42 0.04 0.00 0.00 177.00 177.03 3din s ILE 263 N 2.30 1.44 0.00 0.56 1.01 -1.26 0.84 121.20 126.09 3din s ILE 263 Ca 0.26 -0.64 0.00 0.00 0.00 0.00 0.00 60.65 60.27 3din s ILE 263 Cb -0.16 -1.30 0.00 0.00 0.01 0.00 0.00 42.46 41.02 3din s ILE 263 CO 0.09 0.42 0.00 0.29 0.00 0.00 0.00 174.94 175.74 3din n LYS 264 N 3.86 0.41 -0.47 2.79 5.02 0.23 -4.64 118.16 125.36 3din n LYS 264 Ca -0.21 0.00 -0.29 0.00 -2.02 0.00 0.00 58.31 55.80 3din n LYS 264 Cb 0.52 -0.19 0.27 0.00 -0.02 0.00 0.00 35.03 35.61 3din n LYS 264 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3din s VAL 265 N -0.82 1.82 0.00 -0.18 1.01 0.11 -4.68 120.40 117.66 3din s VAL 265 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61.98 61.98 3din s VAL 265 Cb 0.00 -2.04 0.00 0.00 0.00 0.00 0.00 36.38 34.34 3din s VAL 265 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 175.10 174.64 3din n ASN 266 N -5.17 0.00 -3.71 3.32 6.94 -1.26 -3.66 115.26 111.72 3din n ASN 266 Ca 0.04 -0.58 -0.10 0.00 -0.02 0.00 0.00 54.58 53.93 3din n ASN 266 Cb 0.55 0.00 -0.03 0.00 -2.36 0.00 0.00 39.78 37.94 3din n ASN 266 CO 0.00 0.00 0.00 -1.58 -1.03 0.00 0.00 177.26 174.65 3din s GLN 267 N -0.75 1.42 0.02 -3.83 0.74 -1.26 -3.56 119.66 112.44 3din s GLN 267 Ca 0.00 -0.83 -0.37 0.00 0.05 0.00 0.00 55.36 54.21 3din s GLN 267 Cb 0.00 0.54 -0.19 0.00 1.10 0.00 0.00 33.01 34.46 3din s GLN 267 CO 0.00 -0.61 0.97 0.41 -0.55 0.00 0.00 175.29 175.51 3din n GLY 268 N -0.36 -0.41 0.00 2.59 0.00 -1.26 -4.98 105.19 100.76 3din n GLY 268 Ca -0.10 0.69 0.00 0.00 0.00 0.00 0.00 46.02 46.61 3din n GLY 268 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3din n GLY 269 N 1.49 -1.74 3.96 -0.02 0.00 -1.26 -4.92 105.19 102.69 3din n GLY 269 Ca 0.19 -1.05 -0.22 0.00 0.00 0.00 0.00 46.02 44.93 3din n GLY 269 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3din s VAL 270 N 0.00 4.14 -1.47 1.61 1.01 -1.26 -4.60 120.40 119.83 3din s VAL 270 Ca 0.00 -0.56 -0.07 0.00 0.00 0.00 0.00 61.98 61.34 3din s VAL 270 Cb 0.00 -3.51 0.02 0.00 0.00 0.00 0.00 36.38 32.89 3din s VAL 270 CO 0.00 -0.34 0.81 -0.38 0.00 0.00 0.00 175.10 175.20 3din n ILE 271 N -1.98 -2.22 0.00 2.22 5.41 -1.26 -5.00 119.36 116.53 3din n ILE 271 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 3din n ILE 271 Cb 0.58 -3.43 0.00 0.00 -0.71 0.00 0.00 39.64 36.07 3din n ILE 271 CO 0.00 0.00 0.00 -0.81 0.00 0.00 0.00 176.55 175.74 3din n PRO 272 N -4.38 0.00 -0.46 0.38 -0.04 -1.26 -2.47 135.00 126.77 3din n PRO 272 Ca -0.05 0.00 0.38 0.00 -0.04 0.00 0.00 63.50 63.78 3din n PRO 272 Cb 0.59 -0.40 0.67 0.00 -0.04 0.00 0.00 33.50 34.31 3din n PRO 272 CO 0.00 0.00 0.00 0.82 -0.04 0.00 0.00 175.50 176.28 3din h ILE 273 N 0.00 0.15 -0.46 0.52 2.04 -1.93 0.78 117.51 118.60 3din h ILE 273 Ca 0.00 -0.03 -0.03 0.00 1.00 0.00 0.00 64.86 65.80 3din h ILE 273 Cb 0.00 0.05 -0.02 0.00 -0.74 0.00 0.00 36.82 36.11 3din h ILE 273 CO 0.00 0.02 0.16 0.40 0.00 0.00 0.00 178.15 178.73 3din h ILE 274 N 0.09 1.22 -0.33 -0.67 2.04 -1.96 0.28 117.51 118.16 3din h ILE 274 Ca 0.81 -0.69 -0.09 0.00 1.00 0.00 0.00 64.86 65.88 3din h ILE 274 Cb 2.62 0.81 -0.01 0.00 -0.74 0.00 0.00 36.82 39.51 3din h ILE 274 CO -0.35 0.25 -0.15 2.19 0.00 0.00 0.00 178.15 180.10 3din h PHE 275 N 0.60 0.79 -0.16 1.37 -5.15 -0.52 -2.28 116.94 111.59 3din h PHE 275 Ca 0.15 -0.19 -0.06 0.00 -0.20 0.00 0.00 57.97 57.67 3din h PHE 275 Cb 0.23 -0.18 -0.00 0.00 0.22 0.00 0.00 35.95 36.22 3din h PHE 275 CO 0.01 0.89 -0.12 0.00 -2.00 0.00 0.00 178.31 177.09 3din h ALA 276 N 0.78 0.23 -0.77 12.09 0.00 -1.45 -3.04 119.26 127.11 3din h ALA 276 Ca 0.08 -0.31 0.05 0.00 0.00 0.00 0.00 54.91 54.73 3din h ALA 276 Cb 0.68 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.36 3din h ALA 276 CO 0.05 0.08 0.47 0.66 0.00 0.00 0.00 179.25 180.51 3din h SER 277 N 0.01 0.73 -0.96 0.00 4.64 -0.48 -0.90 113.55 116.59 3din h SER 277 Ca 0.03 0.01 0.02 0.00 -0.47 0.00 0.00 61.79 61.38 3din h SER 277 Cb 0.63 -0.14 -0.05 0.00 -0.31 0.00 0.00 62.40 62.54 3din h SER 277 CO 0.03 0.48 0.63 0.00 -0.87 0.00 0.00 176.83 177.11 3din h ALA 278 N 1.36 1.34 -0.19 5.18 0.00 -1.45 -2.13 119.26 123.37 3din h ALA 278 Ca 0.33 -0.06 0.04 0.00 0.00 0.00 0.00 54.91 55.22 3din h ALA 278 Cb 0.13 -0.37 -0.04 0.00 0.00 0.00 0.00 17.79 17.51 3din h ALA 278 CO -0.16 0.60 -0.06 0.82 0.00 0.00 0.00 179.25 180.46 3din h ILE 279 N 1.27 0.79 -0.38 0.00 2.04 -1.05 -1.49 117.51 118.69 3din h ILE 279 Ca 0.36 0.00 0.02 0.00 1.00 0.00 0.00 64.86 66.25 3din h ILE 279 Cb -0.09 0.79 -0.02 0.00 -0.74 0.00 0.00 36.82 36.76 3din h ILE 279 CO -0.09 0.00 0.25 0.58 0.00 0.00 0.00 178.15 178.89 3din h VAL 280 N -0.01 1.04 0.00 1.67 2.07 -1.05 0.87 116.25 120.85 3din h VAL 280 Ca 0.09 -0.15 0.00 0.00 0.82 0.00 0.00 66.70 67.47 3din h VAL 280 Cb 0.15 0.58 0.00 0.00 -1.52 0.00 0.00 31.29 30.50 3din h VAL 280 CO -0.20 0.08 0.00 0.77 0.02 0.00 0.00 177.57 178.23 3din h SER 281 N 0.42 0.00 0.31 0.57 4.64 -0.65 -3.04 113.55 115.81 3din h SER 281 Ca 0.15 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.46 3din h SER 281 Cb 0.08 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.17 3din h SER 281 CO -0.03 0.00 -0.15 0.40 -0.87 0.00 0.00 176.83 176.18 3din h ILE 282 N 0.00 0.00 0.00 0.95 2.04 -0.57 -1.93 117.51 118.00 3din h ILE 282 Ca 0.00 -0.65 0.00 0.00 1.00 0.00 0.00 64.86 65.21 3din h ILE 282 Cb 0.26 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.34 3din h ILE 282 CO 0.00 0.00 0.02 1.55 0.00 0.00 0.00 178.15 179.72 3din h PRO 283 N -1.07 0.00 0.00 2.37 0.13 -1.60 -2.14 132.00 129.70 3din h PRO 283 Ca -0.04 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 65.02 3din h PRO 283 Cb 0.32 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.45 3din h PRO 283 CO 0.07 0.00 -0.25 1.03 -0.23 0.00 0.00 178.00 178.62 3din h SER 284 N 0.00 0.21 -0.37 1.44 0.87 -1.53 -2.42 113.55 111.75 3din h SER 284 Ca 0.00 -0.79 0.00 0.00 -1.23 0.00 0.00 61.79 59.77 3din h SER 284 Cb 0.04 -0.07 -0.02 0.00 -0.44 0.00 0.00 62.40 61.92 3din h SER 284 CO 0.00 0.98 0.25 0.00 -0.53 0.00 0.00 176.83 177.53 3din h ALA 285 N 0.24 0.47 -0.12 6.23 0.00 -0.71 -1.78 119.26 123.59 3din h ALA 285 Ca -0.03 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.79 3din h ALA 285 Cb 1.02 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 3din h ALA 285 CO 0.05 -0.07 -0.22 0.82 0.00 0.00 0.00 179.25 179.83 3din h ILE 286 N 0.50 1.22 0.00 0.00 2.04 -1.57 -1.43 117.51 118.27 3din h ILE 286 Ca 0.14 -1.00 0.00 0.00 1.00 0.00 0.00 64.86 64.99 3din h ILE 286 Cb -0.06 1.37 0.00 0.00 -0.74 0.00 0.00 36.82 37.39 3din h ILE 286 CO -0.03 0.30 0.00 0.00 0.00 0.00 0.00 178.15 178.43 3din n ALA 287 N -2.48 2.00 -0.07 1.87 0.00 -0.75 -2.09 120.51 118.98 3din n ALA 287 Ca -0.01 -0.08 -0.08 0.00 0.00 0.00 0.00 53.44 53.27 3din n ALA 287 Cb 0.33 -1.33 -0.15 0.00 0.00 0.00 0.00 19.45 18.30 3din n ALA 287 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3din n SER 288 N -1.41 0.26 -3.17 0.00 7.64 -0.57 -4.53 113.62 111.83 3din n SER 288 Ca 0.07 0.12 -0.22 0.00 1.01 0.00 0.00 58.87 59.85 3din n SER 288 Cb 0.21 0.77 -0.05 0.00 -1.01 0.00 0.00 64.21 64.13 3din n SER 288 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 3din n ILE 289 N -2.79 0.46 0.00 0.44 5.41 -0.99 -4.30 119.36 117.59 3din n ILE 289 Ca -0.26 -4.67 0.00 0.00 1.00 0.00 0.00 62.75 58.82 3din n ILE 289 Cb 1.08 -1.02 0.00 0.00 -0.71 0.00 0.00 39.64 38.99 3din n ILE 289 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 176.55 176.96 3din n THR 290 N 0.51 0.00 -2.25 1.39 -1.04 -0.89 -4.78 114.28 107.21 3din n THR 290 Ca 0.25 0.00 -0.43 0.00 -2.04 0.00 0.00 64.05 61.84 3din n THR 290 Cb 0.56 0.00 -0.02 0.00 -1.82 0.00 0.00 70.33 69.05 3din n THR 290 CO 0.00 0.00 0.00 0.20 -0.64 0.00 0.00 175.07 174.63 3din s ASN 291 N -1.00 6.39 -1.44 8.00 0.01 -1.26 -3.22 114.94 122.41 3din s ASN 291 Ca 0.00 1.23 0.00 0.00 -0.71 0.00 0.00 52.86 53.38 3din s ASN 291 Cb 0.00 -2.54 0.00 0.00 0.41 0.00 0.00 41.25 39.12 3din s ASN 291 CO 0.00 -1.32 0.00 0.59 -1.51 0.00 0.00 177.10 174.86 3din n ASN 292 N 8.56 -4.93 -2.77 -1.22 3.02 -1.26 -3.64 115.26 113.02 3din n ASN 292 Ca 0.17 0.10 -0.06 0.00 -0.03 0.00 0.00 54.58 54.76 3din n ASN 292 Cb 0.47 -4.14 0.01 0.00 -0.61 0.00 0.00 39.78 35.50 3din n ASN 292 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3din n GLU 293 N -2.89 -2.60 -1.58 3.52 1.02 -1.20 -4.80 120.64 112.12 3din n GLU 293 Ca -0.20 2.25 -0.42 0.00 -0.02 0.00 0.00 57.16 58.77 3din n GLU 293 Cb 0.65 -5.47 -0.01 0.00 -0.02 0.00 0.00 31.44 26.58 3din n GLU 293 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 3din n THR 294 N -0.05 3.09 -1.58 2.62 -1.04 -1.24 -4.91 114.28 111.17 3din n THR 294 Ca 0.09 -2.66 -0.45 0.00 -2.04 0.00 0.00 64.05 58.99 3din n THR 294 Cb 0.33 -2.54 -0.04 0.00 -1.82 0.00 0.00 70.33 66.26 3din n THR 294 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 3din n LEU 295 N 6.33 3.11 -4.08 -4.42 4.77 -1.26 -4.79 117.00 116.67 3din n LEU 295 Ca 0.52 0.36 -0.10 0.00 -0.03 0.00 0.00 56.01 56.76 3din n LEU 295 Cb 0.39 -1.48 -0.08 0.00 -2.33 0.00 0.00 43.42 39.92 3din n LEU 295 CO 0.93 -0.58 -0.03 -0.54 -1.33 0.00 0.00 177.39 175.84 3din s LYS 296 N 6.02 1.33 0.29 3.23 1.02 -1.26 -5.15 119.74 125.21 3din s LYS 296 Ca 1.01 -1.39 -0.28 0.00 0.02 0.00 0.00 55.97 55.33 3din s LYS 296 Cb -0.48 0.37 -0.09 0.00 -0.52 0.00 0.00 37.83 37.10 3din s LYS 296 CO 0.40 -0.49 1.04 -0.80 -0.92 0.00 0.00 175.35 174.58 3din s ASN 297 N -3.07 7.28 0.00 2.83 0.01 -1.26 -4.94 114.94 115.79 3din s ASN 297 Ca 0.28 2.13 0.00 0.00 -0.71 0.00 0.00 52.86 54.56 3din s ASN 297 Cb 0.03 -2.61 0.00 0.00 0.41 0.00 0.00 41.25 39.08 3din s ASN 297 CO 0.08 -0.12 0.00 -0.11 -1.51 0.00 0.00 177.10 175.44 3din n LEU 298 N 1.02 0.00 0.00 0.60 7.94 -1.26 -5.03 117.00 120.27 3din n LEU 298 Ca -0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 3din n LEU 298 Cb 0.46 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.41 3din n LEU 298 CO 0.51 0.00 0.00 0.49 -1.11 0.00 0.00 177.39 177.28 3din n PHE 299 N 0.00 0.00 -0.07 1.96 0.99 -1.26 -4.91 117.46 114.17 3din n PHE 299 Ca 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 57.45 57.35 3din n PHE 299 Cb 0.00 0.10 -0.07 0.00 -1.00 0.00 0.00 39.48 38.51 3din n PHE 299 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.76 177.30 3din n ARG 300 N -2.20 0.52 -0.05 -1.08 1.74 -1.26 -4.61 116.66 109.71 3din n ARG 300 Ca 0.00 0.08 -0.04 0.00 -0.77 0.00 0.00 57.85 57.11 3din n ARG 300 Cb 0.00 -1.30 -0.03 0.00 -1.02 0.00 0.00 32.46 30.11 3din n ARG 300 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3din h ALA 301 N 0.05 -0.42 0.00 7.54 0.00 -1.99 0.25 119.26 124.68 3din h ALA 301 Ca -0.33 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.58 3din h ALA 301 Cb 1.53 0.87 0.00 0.00 0.00 0.00 0.00 17.79 20.19 3din h ALA 301 CO -0.05 -0.51 0.00 0.41 0.00 0.00 0.00 179.25 179.10 3din n GLY 302 N -1.12 -0.27 0.13 0.00 0.00 -1.26 -4.05 105.19 98.62 3din n GLY 302 Ca -0.01 -0.03 -0.04 0.00 0.00 0.00 0.00 46.02 45.94 3din n GLY 302 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3din h GLY 303 N 1.44 -1.73 -0.80 -0.02 0.00 -0.75 -1.53 103.07 99.68 3din h GLY 303 Ca 0.00 0.83 0.37 0.00 0.00 0.00 0.00 47.33 48.53 3din h GLY 303 CO 0.00 -0.58 0.52 0.74 0.00 0.00 0.00 176.54 177.22 3din h PHE 304 N -0.10 0.82 -0.14 5.60 -1.00 -1.77 0.85 116.94 121.19 3din h PHE 304 Ca 0.02 0.04 -0.04 0.00 2.81 0.00 0.00 57.97 60.80 3din h PHE 304 Cb 0.16 -0.19 -0.00 0.00 3.61 0.00 0.00 35.95 39.53 3din h PHE 304 CO -0.66 -0.35 -0.08 -0.07 -1.61 0.00 0.00 178.31 175.53 3din h LEU 305 N 0.13 0.32 -1.06 1.54 3.38 -1.68 -1.81 115.31 116.14 3din h LEU 305 Ca 0.79 -0.43 -0.08 0.00 0.09 0.00 0.00 57.88 58.25 3din h LEU 305 Cb 1.95 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 42.60 3din h LEU 305 CO -0.71 0.68 -0.40 1.88 0.09 0.00 0.00 178.44 179.98 3din h TYR 306 N -0.04 0.00 -0.33 1.13 0.99 0.58 -2.75 116.97 116.55 3din h TYR 306 Ca 0.03 0.00 -0.07 0.00 2.00 0.00 0.00 58.73 60.69 3din h TYR 306 Cb 0.56 0.00 -0.01 0.00 1.00 0.00 0.00 36.73 38.28 3din h TYR 306 CO 0.07 0.40 -0.06 -0.07 -0.00 0.00 0.00 178.16 178.50 3din h LEU 307 N 0.00 0.62 -1.82 3.88 3.38 0.64 -2.19 115.31 119.82 3din h LEU 307 Ca -0.00 -0.35 -0.03 0.00 0.09 0.00 0.00 57.88 57.58 3din h LEU 307 Cb 0.84 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 41.41 3din h LEU 307 CO 0.05 0.83 -0.14 -0.07 0.09 0.00 0.00 178.44 179.20 3din h LEU 308 N 0.41 0.00 -1.03 1.67 3.38 -1.21 0.08 115.31 118.61 3din h LEU 308 Ca 0.09 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 3din h LEU 308 Cb 0.55 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.26 3din h LEU 308 CO 0.03 0.14 0.45 0.40 0.09 0.00 0.00 178.44 179.55 3din h ILE 309 N 0.00 1.24 -0.66 1.22 2.04 -1.10 0.39 117.51 120.63 3din h ILE 309 Ca -0.00 -0.58 0.08 0.00 1.00 0.00 0.00 64.86 65.36 3din h ILE 309 Cb 0.30 0.14 -0.04 0.00 -0.74 0.00 0.00 36.82 36.48 3din h ILE 309 CO 0.02 0.26 0.44 1.88 0.00 0.00 0.00 178.15 180.75 3din h TYR 310 N 1.13 0.60 0.07 1.37 0.99 -0.68 -0.15 116.97 120.30 3din h TYR 310 Ca 0.29 0.02 -0.00 0.00 2.00 0.00 0.00 58.73 61.03 3din h TYR 310 Cb 0.02 -0.20 0.00 0.00 1.00 0.00 0.00 36.73 37.55 3din h TYR 310 CO 0.01 0.30 -0.03 0.78 -0.00 0.00 0.00 178.16 179.22 3din h GLY 311 N 0.58 -0.10 0.30 3.88 0.00 -0.80 -2.30 103.07 104.64 3din h GLY 311 Ca 0.30 0.04 0.05 0.00 0.00 0.00 0.00 47.33 47.72 3din h GLY 311 CO -0.09 -0.04 -0.19 1.41 0.00 0.00 0.00 176.54 177.63 3din h LEU 312 N -0.11 -0.60 0.00 3.11 3.38 -1.36 -2.50 115.31 117.22 3din h LEU 312 Ca -0.01 0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.07 3din h LEU 312 Cb 0.07 0.29 0.00 0.00 0.09 0.00 0.00 40.66 41.11 3din h LEU 312 CO 0.02 -0.23 0.00 0.18 0.09 0.00 0.00 178.44 178.49 3din n LEU 313 N -5.34 0.00 0.00 1.67 4.77 -0.08 -2.51 117.00 115.52 3din n LEU 313 Ca -0.02 0.48 0.00 0.00 -0.03 0.00 0.00 56.01 56.44 3din n LEU 313 Cb 0.25 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.34 3din n LEU 313 CO 0.18 0.00 0.19 0.52 -1.33 0.00 0.00 177.39 176.95 3din n VAL 314 N -0.70 0.00 0.00 4.08 0.31 -0.86 -2.23 118.33 118.93 3din n VAL 314 Ca 0.00 0.88 0.00 0.00 -0.01 0.00 0.00 64.34 65.21 3din n VAL 314 Cb 0.00 -1.58 0.00 0.00 -0.91 0.00 0.00 33.84 31.35 3din n VAL 314 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 3din n PHE 315 N -0.61 0.00 0.20 3.52 3.01 -0.94 -2.09 117.46 120.55 3din n PHE 315 Ca 0.00 0.00 -0.15 0.00 1.01 0.00 0.00 57.45 58.31 3din n PHE 315 Cb 0.00 -0.33 -0.09 0.00 -0.01 0.00 0.00 39.48 39.06 3din n PHE 315 CO 0.00 0.00 0.00 0.74 1.01 0.00 0.00 176.76 178.51 3din h PHE 316 N 0.00 -1.25 0.12 1.38 -1.00 -1.57 -0.82 116.94 113.80 3din h PHE 316 Ca 0.00 0.02 0.01 0.00 2.81 0.00 0.00 57.97 60.81 3din h PHE 316 Cb 0.00 0.50 -0.04 0.00 3.61 0.00 0.00 35.95 40.02 3din h PHE 316 CO -0.62 -0.56 -0.46 0.74 -1.61 0.00 0.00 178.31 175.80 3din h PHE 317 N -0.80 -1.34 0.19 -0.55 -1.00 -1.40 -1.51 116.94 110.53 3din h PHE 317 Ca -0.04 0.03 -0.01 0.00 2.81 0.00 0.00 57.97 60.77 3din h PHE 317 Cb 0.72 0.57 -0.00 0.00 3.61 0.00 0.00 35.95 40.85 3din h PHE 317 CO -0.30 -0.53 -0.13 1.15 -1.61 0.00 0.00 178.31 176.89 3din h THR 318 N -0.67 0.00 -1.75 -1.55 2.02 -1.48 -2.53 112.91 106.95 3din h THR 318 Ca -0.01 0.00 0.51 0.00 0.77 0.00 0.00 66.41 67.68 3din h THR 318 Cb 0.67 0.00 -0.07 0.00 -1.74 0.00 0.00 68.15 67.01 3din h THR 318 CO -0.24 0.00 1.35 0.00 0.37 0.00 0.00 175.52 177.00 3din n TYR 319 N -3.03 0.00 0.00 3.16 9.36 -0.31 0.15 117.16 126.49 3din n TYR 319 Ca -0.04 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.18 3din n TYR 319 Cb 0.13 -0.44 0.00 0.00 -0.63 0.00 0.00 39.34 38.40 3din n TYR 319 CO 0.00 0.00 0.00 0.34 0.22 0.00 0.00 176.86 177.42 3din n PHE 320 N -3.73 0.00 -0.00 2.98 -0.00 -0.57 -1.61 117.46 114.52 3din n PHE 320 Ca 0.39 0.00 -0.09 0.00 -0.00 0.00 0.00 57.45 57.75 3din n PHE 320 Cb 1.88 -0.44 -0.03 0.00 -0.00 0.00 0.00 39.48 40.89 3din n PHE 320 CO 0.00 0.00 0.00 1.88 -0.00 0.00 0.00 176.76 178.64 3din h TYR 321 N 0.00 -0.43 -0.76 -5.13 -1.99 -0.77 -2.89 116.97 105.00 3din h TYR 321 Ca 0.00 0.02 0.09 0.00 2.00 0.00 0.00 58.73 60.84 3din h TYR 321 Cb 0.00 0.21 -0.10 0.00 2.00 0.00 0.00 36.73 38.84 3din h TYR 321 CO 0.11 -0.24 -0.40 0.45 -0.00 0.00 0.00 178.16 178.08 3din n SER 322 N -5.31 -0.70 -1.69 3.88 2.88 0.40 0.20 113.62 113.29 3din n SER 322 Ca -0.03 1.35 -0.05 0.00 -1.33 0.00 0.00 58.87 58.80 3din n SER 322 Cb 0.23 -0.22 -0.03 0.00 -0.75 0.00 0.00 64.21 63.43 3din n SER 322 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 3din n VAL 323 N -5.01 2.35 -0.01 2.46 0.31 -0.64 -4.89 118.33 112.91 3din n VAL 323 Ca 0.04 -0.94 0.00 0.00 -0.01 0.00 0.00 64.34 63.43 3din n VAL 323 Cb 0.23 -1.59 0.00 0.00 -0.91 0.00 0.00 33.84 31.57 3din n VAL 323 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 3din n VAL 324 N 1.56 0.00 -0.49 2.52 0.31 0.54 -4.63 118.33 118.14 3din n VAL 324 Ca 0.14 0.00 0.40 0.00 -0.01 0.00 0.00 64.34 64.87 3din n VAL 324 Cb 0.60 0.00 0.61 0.00 -0.91 0.00 0.00 33.84 34.14 3din n VAL 324 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 3din n ILE 325 N 0.35 0.00 1.34 2.52 5.41 -1.25 -0.91 119.36 126.83 3din n ILE 325 Ca 0.00 1.24 0.03 0.00 1.00 0.00 0.00 62.75 65.02 3din n ILE 325 Cb 0.00 -2.12 0.08 0.00 -0.71 0.00 0.00 39.64 36.90 3din n ILE 325 CO 0.00 0.00 0.00 0.49 0.00 0.00 0.00 176.55 177.04 3din n PHE 326 N -3.46 0.27 -0.02 1.39 3.01 -1.26 -4.44 117.46 112.94 3din n PHE 326 Ca 0.33 -0.13 -0.10 0.00 1.01 0.00 0.00 57.45 58.57 3din n PHE 326 Cb 1.64 -0.02 -0.04 0.00 -0.01 0.00 0.00 39.48 41.05 3din n PHE 326 CO 0.00 0.00 0.00 0.38 1.01 0.00 0.00 176.76 178.15 3din h ASP 327 N 1.05 -0.03 -0.04 4.37 -0.00 -1.29 -2.19 116.42 118.29 3din h ASP 327 Ca 0.00 0.03 0.01 0.00 -0.00 0.00 0.00 57.03 57.07 3din h ASP 327 Cb 0.30 0.04 -0.00 0.00 -0.00 0.00 0.00 39.33 39.67 3din h ASP 327 CO 0.01 0.01 0.05 1.55 -0.00 0.00 0.00 179.24 180.86 3din h PRO 328 N 0.06 0.00 -0.01 4.15 0.13 -1.86 -0.03 132.00 134.44 3din h PRO 328 Ca 0.06 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.19 3din h PRO 328 Cb 0.07 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.20 3din h PRO 328 CO -0.10 0.00 0.01 0.00 -0.23 0.00 0.00 178.00 177.68 3din h ARG 329 N 0.00 0.02 -0.04 0.86 3.08 -1.70 0.26 114.38 116.85 3din h ARG 329 Ca 0.02 -0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.03 3din h ARG 329 Cb 0.13 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.17 3din h ARG 329 CO -0.00 0.15 -0.13 0.93 -1.07 0.00 0.00 179.97 179.84 3din h GLU 330 N -0.11 0.16 0.30 0.04 5.08 -1.29 -2.76 114.58 116.00 3din h GLU 330 Ca 0.00 -0.12 -0.01 0.00 -1.00 0.00 0.00 59.36 58.23 3din h GLU 330 Cb 0.13 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 3din h GLU 330 CO -0.00 0.75 -0.25 0.82 -1.00 0.00 0.00 179.01 179.33 3din h ILE 331 N -0.41 0.00 0.00 3.13 2.04 -1.00 -1.53 117.51 119.74 3din h ILE 331 Ca -0.01 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.85 3din h ILE 331 Cb 0.77 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.85 3din h ILE 331 CO 0.03 0.00 0.00 -0.24 0.00 0.00 0.00 178.15 177.94 3din n SER 332 N -3.86 0.00 -0.08 1.72 2.88 0.90 -2.62 113.62 112.56 3din n SER 332 Ca -0.06 -0.38 -0.09 0.00 -1.33 0.00 0.00 58.87 57.01 3din n SER 332 Cb 0.24 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.66 3din n SER 332 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 3din n GLU 333 N -0.89 0.48 0.00 -1.46 2.13 -0.65 -3.98 120.64 116.26 3din n GLU 333 Ca 0.06 0.53 0.00 0.00 0.66 0.00 0.00 57.16 58.41 3din n GLU 333 Cb 0.03 -1.70 0.00 0.00 0.27 0.00 0.00 31.44 30.04 3din n GLU 333 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 3din n ASN 334 N -4.57 0.41 -1.99 4.31 3.02 -0.74 -4.81 115.26 110.89 3din n ASN 334 Ca -0.13 -1.04 -0.01 0.00 -0.03 0.00 0.00 54.58 53.37 3din n ASN 334 Cb 0.37 -0.20 -0.01 0.00 -0.61 0.00 0.00 39.78 39.32 3din n ASN 334 CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26 3din n ILE 335 N 0.09 -6.74 -3.63 2.41 -0.00 -1.19 -4.83 119.36 105.47 3din n ILE 335 Ca 0.00 0.98 -0.07 0.00 -0.00 0.00 0.00 62.75 63.66 3din n ILE 335 Cb 0.10 -5.05 -0.08 0.00 -0.00 0.00 0.00 39.64 34.61 3din n ILE 335 CO 0.00 0.00 0.00 -0.13 -0.00 0.00 0.00 176.55 176.42 3din s ARG 336 N -0.77 0.38 -0.42 0.38 0.52 -1.15 -4.49 118.95 113.39 3din s ARG 336 Ca -0.06 1.09 0.02 0.00 -0.52 0.00 0.00 55.73 56.26 3din s ARG 336 Cb 0.00 0.40 0.11 0.00 0.52 0.00 0.00 34.95 35.99 3din s ARG 336 CO 0.34 -0.27 0.17 -1.59 0.02 0.00 0.00 175.30 173.97 3din s LYS 337 N 2.67 1.81 1.00 3.54 0.00 -1.26 -4.28 119.74 123.21 3din s LYS 337 Ca -0.01 -2.06 -0.20 0.00 0.00 0.00 0.00 55.97 53.70 3din s LYS 337 Cb -0.12 -3.38 -0.15 0.00 0.00 0.00 0.00 37.83 34.18 3din s LYS 337 CO -0.14 -1.03 -0.91 2.48 0.00 0.00 0.00 175.35 175.75 3din n TYR 338 N 4.06 -3.97 -3.37 1.78 -0.00 -1.26 -4.48 117.16 109.91 3din n TYR 338 Ca 0.03 0.16 -0.12 0.00 -0.00 0.00 0.00 57.90 57.97 3din n TYR 338 Cb 0.40 -1.44 -0.08 0.00 -0.00 0.00 0.00 39.34 38.21 3din n TYR 338 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.86 177.06 3din s GLY 339 N -1.07 -0.34 -0.08 -7.48 0.00 0.80 -2.57 107.32 96.58 3din s GLY 339 Ca 0.40 0.44 -0.31 0.00 0.00 0.00 0.00 44.72 45.26 3din s GLY 339 CO 0.78 2.68 0.76 -0.32 0.00 0.00 0.00 173.10 176.99 3din s GLY 340 N 2.48 -0.50 -0.48 0.20 0.00 -1.26 -4.19 107.32 103.57 3din s GLY 340 Ca 0.11 1.49 0.00 0.00 0.00 0.00 0.00 44.72 46.32 3din s GLY 340 CO -0.22 0.97 0.00 1.58 0.00 0.00 0.00 173.10 175.43 3din n TYR 341 N 0.84 -0.80 0.00 1.90 0.18 -1.26 -4.52 117.16 113.50 3din n TYR 341 Ca -0.17 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.61 3din n TYR 341 Cb 0.57 -1.54 0.00 0.00 -0.38 0.00 0.00 39.34 37.99 3din n TYR 341 CO 0.00 0.00 0.00 -0.89 -2.08 0.00 0.00 176.86 173.89 3din n ILE 342 N -1.32 0.00 -1.68 -3.48 5.41 -1.26 -5.05 119.36 111.98 3din n ILE 342 Ca -0.05 0.00 -0.38 0.00 1.00 0.00 0.00 62.75 63.32 3din n ILE 342 Cb 0.15 0.00 -0.03 0.00 -0.71 0.00 0.00 39.64 39.05 3din n ILE 342 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 3din s PRO 343 N -3.24 2.45 0.92 0.38 0.04 -1.26 -4.70 135.00 129.58 3din s PRO 343 Ca 0.00 1.38 -0.11 0.00 0.04 0.00 0.00 61.00 62.31 3din s PRO 343 Cb 0.00 -4.49 0.18 0.00 0.04 0.00 0.00 34.50 30.23 3din s PRO 343 CO 0.00 -2.89 0.40 0.41 0.04 0.00 0.00 177.00 174.96 3din n GLY 344 N 5.87 -1.95 0.00 0.56 0.00 -1.06 -4.93 105.19 103.68 3din n GLY 344 Ca 0.32 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.71 3din n GLY 344 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3din n LEU 345 N 0.00 0.00 -3.84 0.99 0.00 -1.23 -4.87 117.00 108.05 3din n LEU 345 Ca 0.06 0.00 -0.51 0.00 0.00 0.00 0.00 56.01 55.56 3din n LEU 345 Cb 0.28 0.00 -0.07 0.00 0.00 0.00 0.00 43.42 43.63 3din n LEU 345 CO 0.18 0.00 0.57 0.54 0.00 0.00 0.00 177.39 178.68 3din n ARG 346 N 0.00 0.00 0.00 1.96 1.74 -1.26 -4.61 116.66 114.49 3din n ARG 346 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 3din n ARG 346 Cb 0.00 -1.27 0.00 0.00 -1.02 0.00 0.00 32.46 30.17 3din n ARG 346 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 3din n PRO 347 N 1.63 3.53 0.00 5.56 -0.04 -1.26 -4.24 135.00 140.18 3din n PRO 347 Ca 0.18 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.64 3din n PRO 347 Cb 0.05 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.51 3din n PRO 347 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3din n GLY 348 N 5.00 0.31 0.28 0.55 0.00 -1.26 -2.30 105.19 107.76 3din n GLY 348 Ca 0.00 -0.63 0.18 0.00 0.00 0.00 0.00 46.02 45.57 3din n GLY 348 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3din h ARG 349 N 0.00 0.00 -0.26 1.61 3.08 -1.96 -2.02 114.38 114.84 3din h ARG 349 Ca 0.00 0.00 0.07 0.00 0.07 0.00 0.00 59.98 60.12 3din h ARG 349 Cb 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.04 3din h ARG 349 CO 0.00 0.00 0.22 1.03 -1.07 0.00 0.00 179.97 180.15 3din h SER 350 N 0.00 0.00 -0.40 7.04 0.87 -1.89 0.26 113.55 119.43 3din h SER 350 Ca 0.00 0.00 -0.10 0.00 -1.23 0.00 0.00 61.79 60.46 3din h SER 350 Cb 0.27 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.21 3din h SER 350 CO 0.00 0.00 -0.15 0.74 -0.53 0.00 0.00 176.83 176.89 3din h THR 351 N 0.00 1.28 0.00 2.23 2.02 -0.94 -1.62 112.91 115.88 3din h THR 351 Ca 0.12 -1.28 -0.01 0.00 0.77 0.00 0.00 66.41 66.01 3din h THR 351 Cb 0.55 1.25 -0.00 0.00 -1.74 0.00 0.00 68.15 68.21 3din h THR 351 CO -0.00 0.43 -0.06 -0.08 0.37 0.00 0.00 175.52 176.18 3din h GLU 352 N 0.63 0.00 0.61 6.66 4.57 -0.65 -0.22 114.58 126.18 3din h GLU 352 Ca 0.10 0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 58.25 3din h GLU 352 Cb 0.70 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 29.30 3din h GLU 352 CO 0.05 0.06 -0.29 1.96 -1.18 0.00 0.00 179.01 179.61 3din h GLN 353 N 0.00 -0.79 -0.75 1.92 4.20 -0.51 1.14 115.11 120.33 3din h GLN 353 Ca -0.00 0.05 0.12 0.00 0.06 0.00 0.00 58.65 58.88 3din h GLN 353 Cb 0.16 0.18 -0.08 0.00 0.30 0.00 0.00 27.48 28.04 3din h GLN 353 CO 0.01 -0.53 0.34 1.88 -0.67 0.00 0.00 178.83 179.86 3din h TYR 354 N -1.14 0.60 -0.42 2.96 -1.99 -1.05 0.07 116.97 116.00 3din h TYR 354 Ca -0.08 0.03 -0.11 0.00 2.00 0.00 0.00 58.73 60.57 3din h TYR 354 Cb 0.63 -0.16 -0.02 0.00 2.00 0.00 0.00 36.73 39.19 3din h TYR 354 CO 0.01 0.16 -0.18 -0.07 -0.00 0.00 0.00 178.16 178.08 3din h LEU 355 N 0.54 0.80 -0.87 3.88 3.38 -1.03 -2.62 115.31 119.40 3din h LEU 355 Ca 0.39 -0.27 0.12 0.00 0.09 0.00 0.00 57.88 58.21 3din h LEU 355 Cb 0.51 -0.22 -0.08 0.00 0.09 0.00 0.00 40.66 40.96 3din h LEU 355 CO -0.33 0.97 0.49 -0.74 0.09 0.00 0.00 178.44 178.91 3din h HIS 356 N 0.70 0.87 0.84 1.13 2.76 0.33 0.64 115.15 122.43 3din h HIS 356 Ca 0.11 0.03 -0.04 0.00 -2.20 0.00 0.00 60.37 58.27 3din h HIS 356 Cb 0.68 -0.26 0.00 0.00 1.55 0.00 0.00 27.41 29.38 3din h HIS 356 CO 0.04 0.29 -0.44 0.00 -1.30 0.00 0.00 177.93 176.52 3din h ARG 357 N 0.76 -1.13 -0.57 5.26 3.08 -0.99 -1.88 114.38 118.90 3din h ARG 357 Ca 0.45 0.08 0.10 0.00 0.07 0.00 0.00 59.98 60.67 3din h ARG 357 Cb 0.52 0.26 -0.03 0.00 0.08 0.00 0.00 29.97 30.79 3din h ARG 357 CO -0.30 -0.75 0.39 0.28 -1.07 0.00 0.00 179.97 178.51 3din h VAL 358 N -1.17 0.89 0.00 2.04 2.07 -1.16 -1.72 116.25 117.19 3din h VAL 358 Ca -0.11 -0.12 0.00 0.00 0.82 0.00 0.00 66.70 67.28 3din h VAL 358 Cb 0.92 0.49 0.00 0.00 -1.52 0.00 0.00 31.29 31.18 3din h VAL 358 CO 0.16 0.07 0.00 0.18 0.02 0.00 0.00 177.57 178.00 3din n LEU 359 N -4.46 0.00 0.32 2.57 4.77 0.22 -1.18 117.00 119.23 3din n LEU 359 Ca 0.09 0.87 0.20 0.00 -0.03 0.00 0.00 56.01 57.14 3din n LEU 359 Cb 0.38 -0.37 1.07 0.00 -2.33 0.00 0.00 43.42 42.17 3din n LEU 359 CO 0.34 -0.37 1.14 0.78 -1.33 0.00 0.00 177.39 177.95 3din h ASN 360 N 0.00 0.00 0.00 -1.43 2.35 -1.28 -1.96 115.58 113.27 3din h ASN 360 Ca 0.00 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.70 3din h ASN 360 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 3din h ASN 360 CO 0.00 0.01 -0.18 0.08 -1.65 0.00 0.00 177.43 175.69 3din h ARG 361 N 0.00 0.12 0.00 0.81 0.11 -1.21 -2.06 114.38 112.15 3din h ARG 361 Ca -0.00 -0.13 -0.03 0.00 0.10 0.00 0.00 59.98 59.92 3din h ARG 361 Cb 0.06 0.04 -0.00 0.00 1.11 0.00 0.00 29.97 31.17 3din h ARG 361 CO 0.00 0.90 -0.13 -0.39 0.10 0.00 0.00 179.97 180.46 3din h VAL 362 N -0.61 0.47 -0.19 0.08 -1.51 -0.92 -1.20 116.25 112.36 3din h VAL 362 Ca -0.02 -0.64 -0.16 0.00 -1.23 0.00 0.00 66.70 64.64 3din h VAL 362 Cb 0.97 1.44 -0.01 0.00 -2.13 0.00 0.00 31.29 31.57 3din h VAL 362 CO 0.04 0.12 -0.54 0.74 -1.23 0.00 0.00 177.57 176.70 3din h THR 363 N 0.00 1.32 -0.08 7.19 2.02 -1.31 0.57 112.91 122.63 3din h THR 363 Ca -0.00 -1.78 -0.00 0.00 0.77 0.00 0.00 66.41 65.39 3din h THR 363 Cb 0.43 1.75 -0.00 0.00 -1.74 0.00 0.00 68.15 68.59 3din h THR 363 CO 0.02 0.56 0.05 -0.26 0.37 0.00 0.00 175.52 176.25 3din h PHE 364 N 0.44 0.11 -0.51 3.16 0.05 -0.48 -1.19 116.94 118.51 3din h PHE 364 Ca 0.01 -0.00 -0.00 0.00 3.82 0.00 0.00 57.97 61.80 3din h PHE 364 Cb 1.08 -0.03 -0.02 0.00 2.00 0.00 0.00 35.95 38.98 3din h PHE 364 CO 0.05 0.12 0.30 0.82 -0.18 0.00 0.00 178.31 179.42 3din h ILE 365 N 0.06 1.16 -0.81 -0.55 2.04 -1.32 -2.16 117.51 115.92 3din h ILE 365 Ca 0.03 -0.36 0.10 0.00 1.00 0.00 0.00 64.86 65.64 3din h ILE 365 Cb 0.05 0.48 -0.08 0.00 -0.74 0.00 0.00 36.82 36.53 3din h ILE 365 CO -0.01 0.16 0.45 1.23 0.00 0.00 0.00 178.15 179.98 3din h GLY 366 N 0.68 1.26 0.92 5.37 0.00 -0.55 -0.50 103.07 110.25 3din h GLY 366 Ca 0.18 -0.29 0.02 0.00 0.00 0.00 0.00 47.33 47.24 3din h GLY 366 CO -0.03 0.09 0.24 0.00 0.00 0.00 0.00 176.54 176.84 3din h ALA 367 N 1.47 0.50 -0.75 3.60 0.00 -0.68 -2.02 119.26 121.38 3din h ALA 367 Ca 0.40 -0.01 0.15 0.00 0.00 0.00 0.00 54.91 55.45 3din h ALA 367 Cb 0.41 -0.12 -0.14 0.00 0.00 0.00 0.00 17.79 17.94 3din h ALA 367 CO -0.27 -0.09 -0.21 0.28 0.00 0.00 0.00 179.25 178.96 3din h VAL 368 N 0.48 0.23 0.21 0.00 2.07 -0.49 -0.90 116.25 117.85 3din h VAL 368 Ca 0.16 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.67 3din h VAL 368 Cb -0.00 0.23 0.00 0.00 -1.52 0.00 0.00 31.29 30.00 3din h VAL 368 CO -0.07 0.00 -0.10 -0.26 0.02 0.00 0.00 177.57 177.16 3din h PHE 369 N -0.01 -0.26 -0.24 1.57 -1.00 -1.14 -2.77 116.94 113.09 3din h PHE 369 Ca 0.35 -0.01 0.04 0.00 2.81 0.00 0.00 57.97 61.17 3din h PHE 369 Cb 0.56 0.08 -0.04 0.00 3.61 0.00 0.00 35.95 40.16 3din h PHE 369 CO -0.61 -0.12 -0.01 -0.07 -1.61 0.00 0.00 178.31 175.89 3din h LEU 370 N -1.06 -0.11 -2.27 1.54 3.38 -1.36 0.50 115.31 115.92 3din h LEU 370 Ca -0.03 0.06 -0.00 0.00 0.09 0.00 0.00 57.88 58.00 3din h LEU 370 Cb 0.26 0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.11 3din h LEU 370 CO 0.05 -0.03 -0.01 0.58 0.09 0.00 0.00 178.44 179.12 3din h VAL 371 N 0.07 0.70 0.00 1.22 2.07 -1.33 0.35 116.25 119.33 3din h VAL 371 Ca 0.12 -0.04 0.00 0.00 0.82 0.00 0.00 66.70 67.60 3din h VAL 371 Cb 0.15 1.02 0.00 0.00 -1.52 0.00 0.00 31.29 30.95 3din h VAL 371 CO -0.20 0.01 0.00 0.55 0.02 0.00 0.00 177.57 177.95 3din n VAL 372 N -4.08 0.46 0.10 2.57 3.14 0.12 -2.10 118.33 118.53 3din n VAL 372 Ca -0.03 0.09 -0.08 0.00 -2.96 0.00 0.00 64.34 61.36 3din n VAL 372 Cb 0.09 -0.73 -0.05 0.00 -1.06 0.00 0.00 33.84 32.10 3din n VAL 372 CO 0.00 0.00 0.00 0.40 -6.46 0.00 0.00 176.83 170.77 3din h ILE 373 N 0.00 0.37 -0.32 1.55 2.04 0.21 0.67 117.51 122.03 3din h ILE 373 Ca 0.00 -0.90 -0.01 0.00 1.00 0.00 0.00 64.86 64.94 3din h ILE 373 Cb 0.41 0.64 -0.02 0.00 -0.74 0.00 0.00 36.82 37.11 3din h ILE 373 CO 0.00 0.10 0.14 0.00 0.00 0.00 0.00 178.15 178.39 3din h ALA 374 N -0.77 1.65 0.00 1.87 0.00 -1.58 0.15 119.26 120.58 3din h ALA 374 Ca -0.03 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.80 3din h ALA 374 Cb 0.42 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.07 3din h ALA 374 CO 0.06 0.28 0.00 1.25 0.00 0.00 0.00 179.25 180.84 3din h LEU 375 N 0.44 0.00 0.44 0.00 6.46 -1.41 -3.27 115.31 117.98 3din h LEU 375 Ca 0.11 0.00 -0.01 0.00 -0.12 0.00 0.00 57.88 57.86 3din h LEU 375 Cb 0.07 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 39.99 3din h LEU 375 CO -0.01 0.00 -0.33 0.25 -0.62 0.00 0.00 178.44 177.72 3din h LEU 376 N 0.00 -0.86 -1.69 2.25 6.46 0.33 0.31 115.31 122.12 3din h LEU 376 Ca 0.00 0.06 -0.03 0.00 -0.12 0.00 0.00 57.88 57.79 3din h LEU 376 Cb 0.72 0.27 -0.00 0.00 -0.73 0.00 0.00 40.66 40.92 3din h LEU 376 CO 0.00 -0.49 -0.16 1.55 -0.62 0.00 0.00 178.44 178.72 3din h PRO 377 N -0.76 0.00 0.00 5.25 0.13 -1.61 -1.67 132.00 133.34 3din h PRO 377 Ca -0.04 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.07 3din h PRO 377 Cb 0.65 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.78 3din h PRO 377 CO 0.01 0.16 -0.09 1.88 -0.23 0.00 0.00 178.00 179.73 3din h TYR 378 N 0.00 0.00 0.00 1.56 -1.99 -1.22 -0.46 116.97 114.86 3din h TYR 378 Ca -0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 3din h TYR 378 Cb 0.28 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.01 3din h TYR 378 CO 0.00 0.09 -0.70 1.28 -0.00 0.00 0.00 178.16 178.83 3din n LEU 379 N -3.33 0.61 -0.03 3.88 4.77 0.97 -4.06 117.00 119.81 3din n LEU 379 Ca -0.01 -0.02 0.03 0.00 -0.03 0.00 0.00 56.01 55.98 3din n LEU 379 Cb 0.27 -0.18 -0.11 0.00 -2.33 0.00 0.00 43.42 41.07 3din n LEU 379 CO 0.28 0.09 -0.76 0.52 -1.33 0.00 0.00 177.39 176.19 3din n VAL 380 N -1.70 0.30 -2.03 4.08 0.31 -1.07 -4.61 118.33 113.60 3din n VAL 380 Ca 0.04 -0.42 -0.40 0.00 -0.01 0.00 0.00 64.34 63.55 3din n VAL 380 Cb 0.37 -0.09 -0.00 0.00 -0.91 0.00 0.00 33.84 33.21 3din n VAL 380 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3din n GLN 381 N -2.17 4.55 0.00 5.55 6.02 -0.20 -4.11 117.38 127.01 3din n GLN 381 Ca -0.09 -3.49 0.00 0.00 -0.01 0.00 0.00 57.00 53.41 3din n GLN 381 Cb 0.56 -2.65 0.00 0.00 1.02 0.00 0.00 30.24 29.18 3din n GLN 381 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3din n GLY 382 N 1.76 0.73 0.65 1.08 0.00 -1.26 -4.61 105.19 103.54 3din n GLY 382 Ca 0.61 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.54 3din n GLY 382 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3din n ALA 383 N -0.71 2.39 -3.78 4.61 0.00 -1.26 -4.95 120.51 116.81 3din n ALA 383 Ca 0.00 -0.32 -0.29 0.00 0.00 0.00 0.00 53.44 52.83 3din n ALA 383 Cb 0.01 0.39 -0.16 0.00 0.00 0.00 0.00 19.45 19.68 3din n ALA 383 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3din s ILE 384 N -2.15 0.81 -0.10 0.00 1.01 -1.26 -5.13 121.20 114.38 3din s ILE 384 Ca -0.11 -0.89 -0.12 0.00 0.00 0.00 0.00 60.65 59.52 3din s ILE 384 Cb 0.04 -1.34 -0.05 0.00 0.01 0.00 0.00 42.46 41.12 3din s ILE 384 CO 0.15 -0.30 0.29 -0.54 0.00 0.00 0.00 174.94 174.54 3din s LYS 385 N 1.71 3.96 -0.23 2.79 1.02 -1.26 -4.56 119.74 123.16 3din s LYS 385 Ca 0.00 0.13 -0.05 0.00 0.02 0.00 0.00 55.97 56.08 3din s LYS 385 Cb -0.17 -3.31 -0.01 0.00 -0.52 0.00 0.00 37.83 33.81 3din s LYS 385 CO -0.12 0.50 -0.01 0.08 -0.92 0.00 0.00 175.35 174.88 3din s VAL 386 N -0.35 3.63 0.00 3.17 1.01 -1.26 -4.97 120.40 121.62 3din s VAL 386 Ca 0.18 -0.41 0.00 0.00 0.00 0.00 0.00 61.98 61.76 3din s VAL 386 Cb -0.14 -2.66 0.00 0.00 0.00 0.00 0.00 36.38 33.58 3din s VAL 386 CO 0.07 0.40 1.71 0.59 0.00 0.00 0.00 175.10 177.87 3din n ASN 387 N 4.81 4.60 -3.34 3.32 3.02 -1.26 -4.15 115.26 122.25 3din n ASN 387 Ca -0.18 -2.22 -0.25 0.00 -0.03 0.00 0.00 54.58 51.90 3din n ASN 387 Cb 0.51 -0.96 -0.09 0.00 -0.61 0.00 0.00 39.78 38.63 3din n ASN 387 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3din s VAL 388 N 0.20 0.21 -1.68 2.41 1.01 -1.26 -4.96 120.40 116.33 3din s VAL 388 Ca 0.00 -2.47 0.28 0.00 0.00 0.00 0.00 61.98 59.79 3din s VAL 388 Cb 0.00 -1.14 0.40 0.00 0.00 0.00 0.00 36.38 35.64 3din s VAL 388 CO 0.00 -1.13 1.78 1.87 0.00 0.00 0.00 175.10 177.62 3din n TRP 389 N 2.90 0.00 -1.48 5.22 -0.00 -1.26 -4.89 117.44 117.94 3din n TRP 389 Ca 0.28 0.00 -0.44 0.00 -0.00 0.00 0.00 57.50 57.35 3din n TRP 389 Cb 0.48 -0.17 -0.09 0.00 -0.00 0.00 0.00 31.31 31.53 3din n TRP 389 CO 0.00 0.00 0.00 -0.89 -0.00 0.00 0.00 177.69 176.80 3din n ILE 390 N -0.86 0.02 0.00 5.87 5.41 -1.26 -2.97 119.36 125.57 3din n ILE 390 Ca 0.14 -0.29 0.00 0.00 1.00 0.00 0.00 62.75 63.60 3din n ILE 390 Cb 0.30 -1.43 0.00 0.00 -0.71 0.00 0.00 39.64 37.80 3din n ILE 390 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3din n GLY 391 N 6.46 0.51 0.11 7.39 0.00 -1.26 -5.06 105.19 113.34 3din n GLY 391 Ca 0.51 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.49 3din n GLY 391 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3din h GLY 392 N 0.00 -0.25 0.79 -0.02 0.00 -1.96 -2.96 103.07 98.66 3din h GLY 392 Ca 0.00 0.09 -0.04 0.00 0.00 0.00 0.00 47.33 47.39 3din h GLY 392 CO 0.00 -0.09 -0.38 -0.84 0.00 0.00 0.00 176.54 175.23 3din h THR 393 N -0.43 0.00 -1.00 4.70 2.02 -1.97 -2.09 112.91 114.14 3din h THR 393 Ca -0.02 -0.05 0.34 0.00 0.77 0.00 0.00 66.41 67.45 3din h THR 393 Cb 0.19 0.00 -0.16 0.00 -1.74 0.00 0.00 68.15 66.44 3din h THR 393 CO 0.04 0.00 0.55 0.77 0.37 0.00 0.00 175.52 177.25 3din h SER 394 N -1.10 0.45 0.06 4.18 4.64 -1.97 0.21 113.55 120.02 3din h SER 394 Ca -0.11 0.21 -0.00 0.00 -0.47 0.00 0.00 61.79 61.42 3din h SER 394 Cb 0.81 0.17 0.00 0.00 -0.31 0.00 0.00 62.40 63.07 3din h SER 394 CO 0.18 -0.21 -0.03 0.00 -0.87 0.00 0.00 176.83 175.90 3din h ALA 395 N 1.88 -0.08 -0.51 5.18 0.00 -1.38 -0.37 119.26 123.99 3din h ALA 395 Ca 0.76 -0.15 0.15 0.00 0.00 0.00 0.00 54.91 55.66 3din h ALA 395 Cb 1.79 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.59 3din h ALA 395 CO -0.65 -0.40 0.53 -0.07 0.00 0.00 0.00 179.25 178.66 3din h LEU 396 N -0.38 0.00 0.00 0.00 3.38 0.10 0.17 115.31 118.58 3din h LEU 396 Ca -0.01 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 3din h LEU 396 Cb 0.33 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.08 3din h LEU 396 CO 0.01 0.00 -0.11 0.40 0.09 0.00 0.00 178.44 178.83 3din h ILE 397 N 0.00 0.46 -0.73 1.22 2.04 -0.83 -2.77 117.51 116.90 3din h ILE 397 Ca 0.24 -1.37 0.13 0.00 1.00 0.00 0.00 64.86 64.87 3din h ILE 397 Cb 1.30 0.89 -0.09 0.00 -0.74 0.00 0.00 36.82 38.18 3din h ILE 397 CO -0.00 0.16 0.29 0.00 0.00 0.00 0.00 178.15 178.60 3din h ALA 398 N -0.74 1.02 -0.53 1.87 0.00 -0.08 0.63 119.26 121.42 3din h ALA 398 Ca -0.02 0.11 -0.11 0.00 0.00 0.00 0.00 54.91 54.89 3din h ALA 398 Cb 0.35 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 3din h ALA 398 CO -0.01 -0.20 -0.12 0.28 0.00 0.00 0.00 179.25 179.21 3din h VAL 399 N 0.45 1.27 -0.43 0.00 2.07 -0.86 -1.98 116.25 116.76 3din h VAL 399 Ca 0.40 -1.27 0.09 0.00 0.82 0.00 0.00 66.70 66.73 3din h VAL 399 Cb 0.58 0.99 -0.09 0.00 -1.52 0.00 0.00 31.29 31.24 3din h VAL 399 CO -0.38 0.45 -0.30 1.23 0.02 0.00 0.00 177.57 178.59 3din h GLY 400 N 0.89 -0.14 1.85 2.17 0.00 -0.60 0.20 103.07 107.44 3din h GLY 400 Ca 0.14 0.38 -0.08 0.00 0.00 0.00 0.00 47.33 47.76 3din h GLY 400 CO 0.05 -0.21 -0.32 -2.08 0.00 0.00 0.00 176.54 173.98 3din h VAL 401 N -0.21 1.26 0.48 4.60 2.07 -1.28 -2.14 116.25 121.03 3din h VAL 401 Ca 0.19 -1.24 -0.02 0.00 0.82 0.00 0.00 66.70 66.45 3din h VAL 401 Cb 0.52 1.55 -0.00 0.00 -1.52 0.00 0.00 31.29 31.83 3din h VAL 401 CO -0.55 0.37 -0.29 0.00 0.02 0.00 0.00 177.57 177.12 3din h ALA 402 N 1.52 -0.74 -0.55 1.67 0.00 -0.07 0.15 119.26 121.26 3din h ALA 402 Ca 0.02 -0.15 0.08 0.00 0.00 0.00 0.00 54.91 54.87 3din h ALA 402 Cb 0.64 0.35 -0.07 0.00 0.00 0.00 0.00 17.79 18.72 3din h ALA 402 CO 0.05 -0.93 0.18 -0.07 0.00 0.00 0.00 179.25 178.48 3din h LEU 403 N -0.73 0.14 -1.28 0.00 3.38 -0.55 -0.83 115.31 115.43 3din h LEU 403 Ca -0.06 0.08 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 3din h LEU 403 Cb 0.60 0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.40 3din h LEU 403 CO 0.06 0.10 0.22 0.44 0.09 0.00 0.00 178.44 179.36 3din h ASP 404 N 0.34 0.65 0.69 -0.43 3.32 -1.09 0.58 116.42 120.48 3din h ASP 404 Ca 0.27 -0.07 -0.07 0.00 0.02 0.00 0.00 57.03 57.18 3din h ASP 404 Cb 0.34 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.71 3din h ASP 404 CO -0.30 0.57 -0.35 0.40 -1.72 0.00 0.00 179.24 177.84 3din h ILE 405 N 0.72 0.93 0.00 0.35 2.04 0.10 -0.35 117.51 121.30 3din h ILE 405 Ca 0.18 -1.38 -0.01 0.00 1.00 0.00 0.00 64.86 64.64 3din h ILE 405 Cb 0.11 1.82 -0.00 0.00 -0.74 0.00 0.00 36.82 38.01 3din h ILE 405 CO -0.02 0.35 -0.07 0.40 0.00 0.00 0.00 178.15 178.80 3din h ILE 406 N 0.00 0.39 0.00 -0.67 2.04 0.46 0.30 117.51 120.03 3din h ILE 406 Ca -0.00 -0.39 -0.17 0.00 1.00 0.00 0.00 64.86 65.30 3din h ILE 406 Cb 0.79 1.27 -0.02 0.00 -0.74 0.00 0.00 36.82 38.12 3din h ILE 406 CO 0.05 0.07 -0.82 -0.61 0.00 0.00 0.00 178.15 176.84 3din h GLN 407 N 0.00 0.02 -0.60 2.37 5.75 -0.68 0.78 115.11 122.75 3din h GLN 407 Ca -0.00 -0.02 -0.03 0.00 -0.15 0.00 0.00 58.65 58.44 3din h GLN 407 Cb 0.27 0.01 -0.03 0.00 1.07 0.00 0.00 27.48 28.80 3din h GLN 407 CO 0.01 0.83 0.24 1.96 -2.65 0.00 0.00 178.83 179.21 3din h GLN 408 N 0.01 0.87 0.09 1.69 4.20 -0.21 -2.56 115.11 119.21 3din h GLN 408 Ca -0.01 -0.14 -0.28 0.00 0.06 0.00 0.00 58.65 58.28 3din h GLN 408 Cb 1.44 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 29.06 3din h GLN 408 CO 0.11 0.72 -1.40 0.52 -0.67 0.00 0.00 178.83 178.11 3din h MET 409 N 0.86 0.20 -0.96 1.46 2.86 -1.23 -2.98 114.93 115.14 3din h MET 409 Ca 0.20 -0.34 0.12 0.00 -2.06 0.00 0.00 59.70 57.62 3din h MET 409 Cb 0.17 0.13 -0.08 0.00 0.06 0.00 0.00 31.60 31.88 3din h MET 409 CO -0.02 1.07 0.61 0.93 1.06 0.00 0.00 176.91 180.57 3din h GLU 410 N 0.05 0.89 0.00 1.72 5.08 -0.52 0.11 114.58 121.91 3din h GLU 410 Ca -0.19 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.10 3din h GLU 410 Cb 1.97 -0.20 -0.00 0.00 0.50 0.00 0.00 28.75 31.02 3din h GLU 410 CO 0.16 0.59 -0.11 1.15 -1.00 0.00 0.00 179.01 179.80 3din h THR 411 N 0.92 1.11 -0.01 1.13 2.02 -1.57 -3.34 112.91 113.18 3din h THR 411 Ca 0.47 -1.87 0.00 0.00 0.77 0.00 0.00 66.41 65.79 3din h THR 411 Cb 0.51 2.13 -0.00 0.00 -1.74 0.00 0.00 68.15 69.05 3din h THR 411 CO -0.23 0.38 0.06 0.45 0.37 0.00 0.00 175.52 176.55 3din h HIS 412 N -1.00 0.00 -2.77 3.16 3.86 -1.38 -3.43 115.15 113.58 3din h HIS 412 Ca -0.03 0.00 -0.30 0.00 -1.16 0.00 0.00 60.37 58.88 3din h HIS 412 Cb 0.69 0.00 0.16 0.00 1.06 0.00 0.00 27.41 29.32 3din h HIS 412 CO 0.16 0.00 -0.01 -1.33 0.86 0.00 0.00 177.93 177.61 3din n MET 413 N -3.14 -3.43 -2.94 2.45 2.00 0.01 -4.67 117.12 107.41 3din n MET 413 Ca -0.03 -1.28 -0.07 0.00 0.00 0.00 0.00 57.70 56.32 3din n MET 413 Cb 0.13 -1.39 0.01 0.00 0.00 0.00 0.00 33.22 31.97 3din n MET 413 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 175.97 176.25 3din n VAL 414 N -4.77 -9.11 0.00 2.03 0.31 -1.26 -4.98 118.33 100.55 3din n VAL 414 Ca 0.12 1.13 0.00 0.00 -0.01 0.00 0.00 64.34 65.57 3din n VAL 414 Cb 0.47 -5.98 0.00 0.00 -0.91 0.00 0.00 33.84 27.43 3din n VAL 414 CO 0.00 0.00 0.00 0.80 -1.32 0.00 0.00 176.83 176.31 3din n MET 415 N 0.39 0.00 -3.59 5.55 1.56 -1.26 -4.84 117.12 114.93 3din n MET 415 Ca 0.02 0.00 -0.25 0.00 -0.27 0.00 0.00 57.70 57.20 3din n MET 415 Cb 0.31 -0.54 -0.16 0.00 2.15 0.00 0.00 33.22 34.98 3din n MET 415 CO 0.00 0.00 0.00 1.03 -0.73 0.00 0.00 175.97 176.27 3din s ARG 416 N -0.07 0.09 0.00 2.12 0.52 -1.26 -5.01 118.95 115.34 3din s ARG 416 Ca 0.00 -0.09 0.30 0.00 -0.52 0.00 0.00 55.73 55.42 3din s ARG 416 Cb 0.00 -1.67 1.53 0.00 0.52 0.00 0.00 34.95 35.33 3din s ARG 416 CO 0.00 -0.71 2.04 0.72 0.02 0.00 0.00 175.30 177.37 3din n HIS 417 N 5.28 0.00 -3.20 -0.53 8.25 -1.26 -4.58 115.22 119.19 3din n HIS 417 Ca -0.07 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 57.02 3din n HIS 417 Cb 0.48 -0.18 -0.06 0.00 1.12 0.00 0.00 29.99 31.35 3din n HIS 417 CO 0.00 0.00 0.00 1.52 0.64 0.00 0.00 176.34 178.50 3din s TYR 418 N -2.39 3.77 0.00 4.41 -0.85 -1.26 -3.95 117.35 117.08 3din s TYR 418 Ca 0.34 1.33 0.00 0.00 -0.52 0.00 0.00 57.07 58.22 3din s TYR 418 Cb 0.21 -2.55 0.00 0.00 0.38 0.00 0.00 41.96 39.99 3din s TYR 418 CO 0.44 0.51 0.00 0.39 -1.52 0.00 0.00 175.55 175.36 3din n GLU 419 N 1.38 0.00 -0.32 -3.49 1.02 -1.26 -4.77 120.64 113.20 3din n GLU 419 Ca -0.07 0.00 0.14 0.00 -0.02 0.00 0.00 57.16 57.21 3din n GLU 419 Cb 0.51 -3.25 0.33 0.00 -0.02 0.00 0.00 31.44 29.01 3din n GLU 419 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 3din h GLY 420 N 0.00 1.64 -3.90 0.62 0.00 -1.81 -3.00 103.07 96.62 3din h GLY 420 Ca 0.00 -0.21 -0.19 0.00 0.00 0.00 0.00 47.33 46.93 3din h GLY 420 CO 0.00 -0.26 -0.91 0.69 0.00 0.00 0.00 176.54 176.06 3din n PHE 421 N -5.00 0.25 -2.77 5.60 3.01 -1.26 -5.09 117.46 112.19 3din n PHE 421 Ca 0.23 -1.17 0.00 0.00 1.01 0.00 0.00 57.45 57.52 3din n PHE 421 Cb 0.68 0.05 0.00 0.00 -0.01 0.00 0.00 39.48 40.20 3din n PHE 421 CO 0.00 0.00 0.00 0.44 1.01 0.00 0.00 176.76 178.21 3din n ILE 422 N -0.12 0.00 0.00 4.37 -5.35 -1.14 -5.20 119.36 111.93 3din n ILE 422 Ca 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.48 3din n ILE 422 Cb 0.95 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 38.85 3din n ILE 422 CO 0.00 0.00 0.00 1.17 -1.76 0.00 0.00 176.55 175.96