#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2aet s ASN 3 N 0.00 5.90 -0.29 1.62 0.01 -1.26 -5.08 114.94 115.84 2aet s ASN 3 Ca 0.00 0.08 -0.29 0.00 -0.71 0.00 0.00 52.86 51.94 2aet s ASN 3 Cb 0.00 -1.68 0.01 0.00 0.41 0.00 0.00 41.25 39.99 2aet s ASN 3 CO 0.00 0.13 1.07 0.12 -1.51 0.00 0.00 177.10 176.92 2aet s PHE 4 N -1.54 3.19 0.00 2.20 5.36 -1.26 -4.90 117.98 121.03 2aet s PHE 4 Ca 0.32 1.26 0.00 0.00 -0.96 0.00 0.00 56.93 57.55 2aet s PHE 4 Cb -0.12 -3.58 0.00 0.00 -0.34 0.00 0.00 43.02 38.98 2aet s PHE 4 CO 0.25 -0.73 0.56 -2.30 -1.46 0.00 0.00 175.22 171.55 2aet n PRO 5 N 6.73 0.00 -0.69 10.12 -0.02 -1.26 -4.59 135.00 145.29 2aet n PRO 5 Ca 0.12 -0.17 0.52 0.00 -2.02 0.00 0.00 63.50 61.95 2aet n PRO 5 Cb 0.47 -1.50 0.81 0.00 -0.02 0.00 0.00 33.50 33.26 2aet n PRO 5 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 2aet h THR 6 N 3.22 0.00 0.04 3.45 2.02 -1.98 0.50 112.91 120.16 2aet h THR 6 Ca 0.00 -0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.18 2aet h THR 6 Cb 0.00 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.41 2aet h THR 6 CO 0.56 0.00 -0.02 -0.33 0.37 0.00 0.00 175.52 176.10 2aet h GLU 7 N 0.00 -0.05 -0.81 6.66 5.08 -2.00 -2.70 114.58 120.76 2aet h GLU 7 Ca 0.94 0.00 0.14 0.00 -1.00 0.00 0.00 59.36 59.44 2aet h GLU 7 Cb 3.70 0.01 -0.09 0.00 0.50 0.00 0.00 28.75 32.88 2aet h GLU 7 CO -0.06 0.42 0.40 1.88 -1.00 0.00 0.00 179.01 180.65 2aet h TYR 8 N -0.98 0.70 -0.19 4.33 -1.99 -0.66 0.06 116.97 118.24 2aet h TYR 8 Ca -0.01 0.03 0.04 0.00 2.00 0.00 0.00 58.73 60.80 2aet h TYR 8 Cb 0.50 -0.19 -0.05 0.00 2.00 0.00 0.00 36.73 39.00 2aet h TYR 8 CO 0.12 0.17 -0.10 0.35 -0.00 0.00 0.00 178.16 178.70 2aet h PHE 9 N 0.58 -0.23 -0.29 4.88 -0.00 -0.35 -0.92 116.94 120.62 2aet h PHE 9 Ca 0.44 0.02 0.06 0.00 -0.00 0.00 0.00 57.97 58.49 2aet h PHE 9 Cb 0.61 0.13 -0.06 0.00 -0.00 0.00 0.00 35.95 36.63 2aet h PHE 9 CO -0.11 -0.15 -0.11 -0.07 -0.00 0.00 0.00 178.31 177.87 2aet h LEU 10 N -0.08 -0.39 0.23 0.59 3.38 -0.72 -1.97 115.31 116.35 2aet h LEU 10 Ca 0.10 0.10 0.01 0.00 0.09 0.00 0.00 57.88 58.18 2aet h LEU 10 Cb 0.24 0.23 -0.04 0.00 0.09 0.00 0.00 40.66 41.17 2aet h LEU 10 CO -0.24 -0.15 -0.52 -1.13 0.09 0.00 0.00 178.44 176.49 2aet h ASN 11 N -0.06 -1.54 -0.19 -0.43 -0.73 -0.17 -2.05 115.58 110.41 2aet h ASN 11 Ca 0.15 0.15 -0.01 0.00 1.87 0.00 0.00 56.30 58.46 2aet h ASN 11 Cb 0.28 0.55 -0.01 0.00 0.27 0.00 0.00 38.32 39.42 2aet h ASN 11 CO -0.33 -0.59 0.09 0.71 -0.37 0.00 0.00 177.43 176.94 2aet h THR 12 N -0.83 1.13 -0.95 -3.57 1.35 -1.17 -2.76 112.91 106.11 2aet h THR 12 Ca -0.02 -0.38 0.16 0.00 -0.55 0.00 0.00 66.41 65.62 2aet h THR 12 Cb 0.80 1.03 -0.08 0.00 -1.73 0.00 0.00 68.15 68.17 2aet h THR 12 CO -0.23 0.13 0.60 0.74 -0.25 0.00 0.00 175.52 176.51 2aet h THR 13 N 0.18 0.79 -0.15 6.82 2.02 -1.32 -2.11 112.91 119.14 2aet h THR 13 Ca 0.07 -0.25 -0.04 0.00 0.77 0.00 0.00 66.41 66.95 2aet h THR 13 Cb 0.12 -0.01 -0.00 0.00 -1.74 0.00 0.00 68.15 66.51 2aet h THR 13 CO -0.01 0.13 -0.06 0.58 0.37 0.00 0.00 175.52 176.54 2aet h VAL 14 N 0.74 1.30 -0.20 3.16 2.07 -1.09 -1.16 116.25 121.07 2aet h VAL 14 Ca 0.50 -1.06 0.02 0.00 0.82 0.00 0.00 66.70 66.99 2aet h VAL 14 Cb 0.80 1.68 -0.02 0.00 -1.52 0.00 0.00 31.29 32.23 2aet h VAL 14 CO -0.27 0.31 0.06 0.03 0.02 0.00 0.00 177.57 177.72 2aet h ARG 15 N -0.01 0.15 0.05 1.57 3.08 -1.18 0.67 114.38 118.70 2aet h ARG 15 Ca 0.04 -0.01 0.01 0.00 0.07 0.00 0.00 59.98 60.08 2aet h ARG 15 Cb 0.51 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.51 2aet h ARG 15 CO 0.02 0.10 -0.06 -0.07 -1.07 0.00 0.00 179.97 178.88 2aet h LEU 16 N 0.15 -0.17 -0.87 3.04 3.38 -1.42 0.76 115.31 120.18 2aet h LEU 16 Ca 0.09 0.02 -0.06 0.00 0.09 0.00 0.00 57.88 58.02 2aet h LEU 16 Cb 0.07 0.06 -0.03 0.00 0.09 0.00 0.00 40.66 40.85 2aet h LEU 16 CO -0.10 -0.10 0.20 -0.07 0.09 0.00 0.00 178.44 178.46 2aet h LEU 17 N -0.13 0.97 -0.53 1.67 3.38 -0.98 -0.52 115.31 119.17 2aet h LEU 17 Ca 0.01 -0.18 -0.15 0.00 0.09 0.00 0.00 57.88 57.65 2aet h LEU 17 Cb 0.14 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 2aet h LEU 17 CO -0.03 0.91 -0.71 -0.08 0.09 0.00 0.00 178.44 178.62 2aet h GLU 18 N 1.00 0.00 0.03 1.13 4.57 0.62 -0.72 114.58 121.21 2aet h GLU 18 Ca 0.22 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.40 2aet h GLU 18 Cb 0.29 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.88 2aet h GLU 18 CO -0.01 0.71 -0.02 -0.92 -1.18 0.00 0.00 179.01 177.60 2aet h TYR 19 N 0.00 -0.04 0.00 0.92 3.20 0.92 -3.08 116.97 118.89 2aet h TYR 19 Ca -0.01 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.86 2aet h TYR 19 Cb 1.29 0.01 0.00 0.00 1.54 0.00 0.00 36.73 39.57 2aet h TYR 19 CO 0.00 0.64 0.00 0.44 -1.64 0.00 0.00 178.16 177.60 2aet n ILE 20 N -4.75 0.71 -3.54 1.81 -5.35 -0.24 -4.88 119.36 103.12 2aet n ILE 20 Ca -0.08 0.18 -0.24 0.00 -0.27 0.00 0.00 62.75 62.33 2aet n ILE 20 Cb 0.34 -0.90 0.05 0.00 -1.74 0.00 0.00 39.64 37.39 2aet n ILE 20 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 2aet n ARG 21 N -1.40 -2.29 -1.37 6.28 1.74 -0.84 -4.76 116.66 114.02 2aet n ARG 21 Ca 0.06 0.62 -0.54 0.00 -0.77 0.00 0.00 57.85 57.23 2aet n ARG 21 Cb 0.16 -4.89 -0.09 0.00 -1.02 0.00 0.00 32.46 26.62 2aet n ARG 21 CO 0.00 0.00 0.00 0.98 -1.52 0.00 0.00 177.63 177.09 2aet n TYR 22 N -3.89 1.41 -3.28 -1.55 9.36 -0.34 -4.88 117.16 114.00 2aet n TYR 22 Ca -0.13 0.46 -0.22 0.00 3.32 0.00 0.00 57.90 61.33 2aet n TYR 22 Cb 0.62 -2.44 -0.08 0.00 -0.63 0.00 0.00 39.34 36.81 2aet n TYR 22 CO 0.00 0.00 0.00 1.03 0.22 0.00 0.00 176.86 178.11 2aet s ARG 23 N 6.22 0.88 0.13 2.98 0.52 -1.26 -5.06 118.95 123.37 2aet s ARG 23 Ca 1.14 -1.75 -0.23 0.00 -0.52 0.00 0.00 55.73 54.38 2aet s ARG 23 Cb -1.09 -1.09 -0.07 0.00 0.52 0.00 0.00 34.95 33.21 2aet s ARG 23 CO 0.55 -1.35 0.69 0.34 0.02 0.00 0.00 175.30 175.56 2aet s ASP 24 N 0.41 7.25 -0.21 0.23 2.15 -1.26 -4.90 116.67 120.34 2aet s ASP 24 Ca 0.30 1.49 0.08 0.00 0.43 0.00 0.00 52.55 54.85 2aet s ASP 24 Cb -0.01 -2.44 0.25 0.00 -0.30 0.00 0.00 42.92 40.42 2aet s ASP 24 CO -0.14 0.23 1.20 -1.54 -0.17 0.00 0.00 175.17 174.74 2aet n SER 25 N 1.60 -1.06 0.05 -0.34 3.41 -1.26 -4.98 113.62 111.04 2aet n SER 25 Ca -0.07 -1.86 0.16 0.00 -0.26 0.00 0.00 58.87 56.84 2aet n SER 25 Cb 0.50 0.47 0.64 0.00 -0.26 0.00 0.00 64.21 65.56 2aet n SER 25 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 175.04 175.66 2aet h ASN 26 N 0.61 0.06 -1.21 4.04 2.35 -1.94 -3.45 115.58 116.04 2aet h ASN 26 Ca -0.37 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.38 2aet h ASN 26 Cb 1.23 -0.01 0.00 0.00 0.05 0.00 0.00 38.32 39.58 2aet h ASN 26 CO -0.16 0.04 0.00 -1.22 -1.65 0.00 0.00 177.43 174.43 2aet n TYR 27 N -4.43 -0.03 -4.38 1.19 4.01 -1.26 -5.03 117.16 107.22 2aet n TYR 27 Ca 0.07 0.00 -0.29 0.00 -0.16 0.00 0.00 57.90 57.51 2aet n TYR 27 Cb 0.44 0.00 -0.12 0.00 -0.31 0.00 0.00 39.34 39.35 2aet n TYR 27 CO 0.00 0.00 0.00 0.95 -0.46 0.00 0.00 176.86 177.35 2aet s THR 28 N -1.68 2.61 0.47 -0.72 -4.23 -1.26 -4.95 115.64 105.88 2aet s THR 28 Ca 0.00 -1.56 0.30 0.00 -1.18 0.00 0.00 61.69 59.24 2aet s THR 28 Cb 0.00 -2.17 0.49 0.00 1.34 0.00 0.00 72.50 72.16 2aet s THR 28 CO 0.00 0.12 1.75 -0.09 -0.54 0.00 0.00 174.62 175.87 2aet h ARG 29 N 3.88 0.16 -0.14 3.99 2.43 -1.97 0.77 114.38 123.50 2aet h ARG 29 Ca -0.50 -0.01 -0.10 0.00 -0.81 0.00 0.00 59.98 58.57 2aet h ARG 29 Cb 1.17 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.68 2aet h ARG 29 CO 0.44 0.10 -0.28 0.93 -1.51 0.00 0.00 179.97 179.64 2aet h GLU 30 N 0.16 0.44 -0.20 0.20 3.07 -1.99 -2.42 114.58 113.84 2aet h GLU 30 Ca 0.63 -0.29 -0.01 0.00 -0.50 0.00 0.00 59.36 59.20 2aet h GLU 30 Cb 2.10 0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 30.04 2aet h GLU 30 CO -0.17 0.89 0.09 0.93 -1.40 0.00 0.00 179.01 179.35 2aet h GLU 31 N 0.05 0.29 -0.08 2.33 5.08 -1.32 -1.30 114.58 119.64 2aet h GLU 31 Ca 0.00 -0.05 0.04 0.00 -1.00 0.00 0.00 59.36 58.36 2aet h GLU 31 Cb 0.88 -0.05 -0.06 0.00 0.50 0.00 0.00 28.75 30.02 2aet h GLU 31 CO 0.06 0.33 -0.37 -0.09 -1.00 0.00 0.00 179.01 177.95 2aet h ARG 32 N 0.18 -0.46 -0.95 2.33 2.43 -1.13 -0.95 114.38 115.84 2aet h ARG 32 Ca 0.07 0.03 0.07 0.00 -0.81 0.00 0.00 59.98 59.34 2aet h ARG 32 Cb 0.14 0.10 -0.07 0.00 -0.42 0.00 0.00 29.97 29.73 2aet h ARG 32 CO -0.01 -0.31 0.60 0.82 -1.51 0.00 0.00 179.97 179.57 2aet h ILE 33 N -0.48 1.04 -0.89 1.20 2.04 -1.28 -0.89 117.51 118.26 2aet h ILE 33 Ca 0.07 -0.37 0.00 0.00 1.00 0.00 0.00 64.86 65.57 2aet h ILE 33 Cb 0.59 -0.12 -0.04 0.00 -0.74 0.00 0.00 36.82 36.51 2aet h ILE 33 CO -0.34 0.19 0.57 -0.08 0.00 0.00 0.00 178.15 178.49 2aet h GLU 34 N 1.07 1.19 -0.11 2.37 4.81 -0.25 -1.92 114.58 121.74 2aet h GLU 34 Ca 0.42 -0.09 -0.20 0.00 -0.13 0.00 0.00 59.36 59.36 2aet h GLU 34 Cb 0.22 -0.26 0.01 0.00 0.63 0.00 0.00 28.75 29.35 2aet h GLU 34 CO -0.19 0.81 -0.72 -0.91 -0.73 0.00 0.00 179.01 177.27 2aet h ASN 35 N 1.22 0.82 -0.73 1.04 2.35 -0.52 -2.70 115.58 117.04 2aet h ASN 35 Ca 0.32 -0.66 0.08 0.00 -0.55 0.00 0.00 56.30 55.50 2aet h ASN 35 Cb -0.10 -0.24 -0.06 0.00 0.05 0.00 0.00 38.32 37.96 2aet h ASN 35 CO -0.07 1.35 0.40 -0.07 -1.65 0.00 0.00 177.43 177.39 2aet h LEU 36 N 0.35 0.57 -0.54 1.61 3.38 -0.97 -1.08 115.31 118.63 2aet h LEU 36 Ca -0.06 0.04 -0.16 0.00 0.09 0.00 0.00 57.88 57.80 2aet h LEU 36 Cb 1.36 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 42.03 2aet h LEU 36 CO 0.15 0.35 -0.73 -0.74 0.09 0.00 0.00 178.44 177.56 2aet h HIS 37 N 0.71 0.05 -0.14 1.13 2.76 -1.37 -1.51 115.15 116.78 2aet h HIS 37 Ca 0.34 -0.02 -0.10 0.00 -2.20 0.00 0.00 60.37 58.39 2aet h HIS 37 Cb 0.28 -0.01 0.00 0.00 1.55 0.00 0.00 27.41 29.24 2aet h HIS 37 CO -0.08 0.75 -0.29 -0.92 -1.30 0.00 0.00 177.93 176.09 2aet h TYR 38 N 0.02 0.55 -0.18 5.26 3.20 -1.10 -0.44 116.97 124.29 2aet h TYR 38 Ca -0.01 -0.20 -0.01 0.00 3.14 0.00 0.00 58.73 61.64 2aet h TYR 38 Cb 1.28 -0.10 -0.01 0.00 1.54 0.00 0.00 36.73 39.44 2aet h TYR 38 CO 0.00 0.91 0.06 0.00 -1.64 0.00 0.00 178.16 177.49 2aet h ALA 39 N 0.54 0.24 -0.68 1.82 0.00 -1.24 -2.72 119.26 117.23 2aet h ALA 39 Ca 0.00 -0.13 -0.07 0.00 0.00 0.00 0.00 54.91 54.71 2aet h ALA 39 Cb 0.89 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.58 2aet h ALA 39 CO 0.06 -0.14 0.13 -0.92 0.00 0.00 0.00 179.25 178.38 2aet h TYR 40 N 0.12 1.16 -0.16 0.00 3.20 -1.30 -2.62 116.97 117.39 2aet h TYR 40 Ca 0.06 -0.15 0.01 0.00 3.14 0.00 0.00 58.73 61.79 2aet h TYR 40 Cb 0.23 -0.32 -0.02 0.00 1.54 0.00 0.00 36.73 38.16 2aet h TYR 40 CO 0.00 0.96 0.05 -0.97 -1.64 0.00 0.00 178.16 176.56 2aet h ASN 41 N 1.03 0.05 -0.41 -2.11 -1.24 -0.93 0.37 115.58 112.35 2aet h ASN 41 Ca 0.21 0.02 -0.11 0.00 0.71 0.00 0.00 56.30 57.12 2aet h ASN 41 Cb 0.41 0.01 -0.01 0.00 0.73 0.00 0.00 38.32 39.46 2aet h ASN 41 CO 0.01 0.05 -0.19 0.50 -1.29 0.00 0.00 177.43 176.52 2aet h LYS 42 N 0.12 0.86 0.35 6.67 3.64 -1.45 -2.52 116.57 124.24 2aet h LYS 42 Ca 0.07 -0.37 -0.02 0.00 -1.27 0.00 0.00 60.65 59.06 2aet h LYS 42 Cb 0.04 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 31.84 2aet h LYS 42 CO -0.07 1.01 -0.17 0.00 -2.27 0.00 0.00 179.45 177.95 2aet h ALA 43 N 0.83 -0.47 -0.94 5.00 0.00 -1.34 -1.78 119.26 120.55 2aet h ALA 43 Ca 0.09 -0.11 0.20 0.00 0.00 0.00 0.00 54.91 55.10 2aet h ALA 43 Cb 0.74 0.18 -0.08 0.00 0.00 0.00 0.00 17.79 18.64 2aet h ALA 43 CO 0.06 -0.75 0.61 0.00 0.00 0.00 0.00 179.25 179.16 2aet h ALA 44 N 0.16 2.06 -0.00 0.00 0.00 -0.89 0.17 119.26 120.75 2aet h ALA 44 Ca -0.05 0.04 -0.18 0.00 0.00 0.00 0.00 54.91 54.72 2aet h ALA 44 Cb 0.37 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 2aet h ALA 44 CO 0.08 -0.37 -0.82 0.45 0.00 0.00 0.00 179.25 178.58 2aet h HIS 45 N 0.52 0.12 0.18 0.00 -0.00 -1.12 -2.67 115.15 112.18 2aet h HIS 45 Ca 0.51 -0.07 -0.01 0.00 -0.00 0.00 0.00 60.37 60.80 2aet h HIS 45 Cb 1.11 -0.01 0.00 0.00 -0.00 0.00 0.00 27.41 28.51 2aet h HIS 45 CO -0.00 0.87 -0.09 1.25 -0.00 0.00 0.00 177.93 179.95 2aet h HIS 46 N 0.05 -0.23 0.00 2.45 6.17 0.15 -3.10 115.15 120.63 2aet h HIS 46 Ca -0.02 -0.01 0.00 0.00 0.71 0.00 0.00 60.37 61.05 2aet h HIS 46 Cb 1.44 0.08 0.00 0.00 2.52 0.00 0.00 27.41 31.45 2aet h HIS 46 CO 0.01 0.14 0.00 1.19 0.71 0.00 0.00 177.93 179.98 2aet n PHE 47 N -5.03 0.35 0.98 5.26 3.72 -0.28 -2.50 117.46 119.96 2aet n PHE 47 Ca -0.09 0.14 0.12 0.00 -0.05 0.00 0.00 57.45 57.57 2aet n PHE 47 Cb 0.24 -0.73 0.21 0.00 -0.94 0.00 0.00 39.48 38.27 2aet n PHE 47 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2aet n ALA 48 N -1.62 3.63 -1.56 4.37 0.00 -1.01 -4.13 120.51 120.19 2aet n ALA 48 Ca 0.02 -0.37 -0.34 0.00 0.00 0.00 0.00 53.44 52.75 2aet n ALA 48 Cb 0.17 -1.09 0.05 0.00 0.00 0.00 0.00 19.45 18.58 2aet n ALA 48 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 2aet s GLN 49 N -3.01 2.72 0.14 0.00 -0.21 -1.04 -4.06 119.66 114.20 2aet s GLN 49 Ca 0.10 1.64 -0.18 0.00 0.02 0.00 0.00 55.36 56.94 2aet s GLN 49 Cb 0.17 -1.92 0.00 0.00 1.00 0.00 0.00 33.01 32.27 2aet s GLN 49 CO 0.72 -1.36 1.74 -1.00 -2.12 0.00 0.00 175.29 173.27 2aet h PRO 50 N 0.30 0.18 -0.11 2.91 0.13 -1.91 -0.44 132.00 133.06 2aet h PRO 50 Ca -0.48 -0.01 0.04 0.00 -0.87 0.00 0.00 66.00 64.68 2aet h PRO 50 Cb 1.28 -0.04 -0.05 0.00 0.13 0.00 0.00 31.00 32.32 2aet h PRO 50 CO 0.53 0.12 -0.17 -0.09 -0.23 0.00 0.00 178.00 178.17 2aet h ARG 51 N 0.19 -0.21 -0.53 0.86 2.43 -1.95 0.34 114.38 115.50 2aet h ARG 51 Ca 0.12 0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.31 2aet h ARG 51 Cb 0.10 0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 29.67 2aet h ARG 51 CO -0.14 -0.14 0.35 1.96 -1.51 0.00 0.00 179.97 180.49 2aet h GLN 52 N -0.22 0.69 -0.87 0.20 1.08 -1.81 -1.57 115.11 112.62 2aet h GLN 52 Ca 0.09 -0.04 0.06 0.00 -1.45 0.00 0.00 58.65 57.31 2aet h GLN 52 Cb 0.35 -0.16 -0.06 0.00 -0.05 0.00 0.00 27.48 27.56 2aet h GLN 52 CO -0.24 0.46 0.54 1.96 -0.95 0.00 0.00 178.83 180.60 2aet h GLN 53 N 0.71 0.96 0.22 1.46 1.08 -0.17 -0.88 115.11 118.50 2aet h GLN 53 Ca 0.20 -0.06 -0.01 0.00 -1.45 0.00 0.00 58.65 57.33 2aet h GLN 53 Cb -0.07 -0.22 0.00 0.00 -0.05 0.00 0.00 27.48 27.14 2aet h GLN 53 CO -0.05 0.63 -0.11 1.96 -0.95 0.00 0.00 178.83 180.32 2aet h GLN 54 N 0.99 -0.29 0.00 1.46 4.20 0.12 -3.36 115.11 118.23 2aet h GLN 54 Ca 0.38 0.02 -0.03 0.00 0.06 0.00 0.00 58.65 59.08 2aet h GLN 54 Cb 0.16 0.07 -0.00 0.00 0.30 0.00 0.00 27.48 28.00 2aet h GLN 54 CO -0.17 -0.19 -0.15 -0.07 -0.67 0.00 0.00 178.83 177.58 2aet h LEU 55 N -0.64 0.00 -8.09 1.46 3.38 -1.35 -3.37 115.31 106.70 2aet h LEU 55 Ca -0.03 0.00 -0.70 0.00 0.09 0.00 0.00 57.88 57.24 2aet h LEU 55 Cb 0.23 0.00 -0.19 0.00 0.09 0.00 0.00 40.66 40.79 2aet h LEU 55 CO 0.05 0.15 0.37 -0.22 0.09 0.00 0.00 178.44 178.87 2aet s LEU 56 N -7.95 5.31 -0.66 1.67 2.96 -0.33 -4.74 118.68 114.93 2aet s LEU 56 Ca -0.03 -1.67 -0.27 0.00 -0.22 0.00 0.00 54.13 51.93 2aet s LEU 56 Cb 0.14 -2.33 0.03 0.00 0.50 0.00 0.00 46.19 44.53 2aet s LEU 56 CO 0.64 -1.09 1.20 -0.54 -1.32 0.00 0.00 176.35 175.23 2aet s LYS 57 N 2.60 3.31 -0.09 1.98 1.02 -1.26 -4.79 119.74 122.51 2aet s LYS 57 Ca 0.19 -0.12 -0.17 0.00 0.02 0.00 0.00 55.97 55.89 2aet s LYS 57 Cb -0.16 -4.11 0.04 0.00 -0.52 0.00 0.00 37.83 33.07 2aet s LYS 57 CO 0.01 -1.90 0.43 0.08 -0.92 0.00 0.00 175.35 173.05 2aet s VAL 58 N 5.18 0.02 0.03 3.17 1.01 -1.26 -5.05 120.40 123.51 2aet s VAL 58 Ca 0.36 -0.18 -0.30 0.00 0.00 0.00 0.00 61.98 61.86 2aet s VAL 58 Cb -0.09 -0.67 -0.07 0.00 0.00 0.00 0.00 36.38 35.54 2aet s VAL 58 CO 0.19 -0.10 1.62 -0.62 0.00 0.00 0.00 175.10 176.19 2aet s ASP 59 N -0.56 6.65 0.24 3.32 2.15 -1.26 -4.87 116.67 122.34 2aet s ASP 59 Ca -0.07 2.39 -0.11 0.00 0.43 0.00 0.00 52.55 55.18 2aet s ASP 59 Cb -0.03 -2.56 0.34 0.00 -0.30 0.00 0.00 42.92 40.37 2aet s ASP 59 CO 0.03 -0.87 1.46 -2.65 -0.17 0.00 0.00 175.17 172.97 2aet n PRO 60 N 5.90 -0.14 0.17 4.34 -0.02 -1.26 -0.25 135.00 143.73 2aet n PRO 60 Ca 0.16 1.46 0.06 0.00 -2.02 0.00 0.00 63.50 63.16 2aet n PRO 60 Cb 0.41 -2.17 0.56 0.00 -0.02 0.00 0.00 33.50 32.28 2aet n PRO 60 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 2aet h LYS 61 N 0.00 0.19 0.03 -0.52 1.57 -1.99 -1.13 116.57 114.71 2aet h LYS 61 Ca 0.40 -0.01 -0.24 0.00 -1.87 0.00 0.00 60.65 58.93 2aet h LYS 61 Cb 0.63 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.88 2aet h LYS 61 CO -0.95 0.14 -1.16 -0.09 -0.57 0.00 0.00 179.45 176.81 2aet h ARG 62 N 0.19 0.06 -0.30 3.15 2.43 -1.00 -2.06 114.38 116.85 2aet h ARG 62 Ca 0.05 -0.10 -0.03 0.00 -0.81 0.00 0.00 59.98 59.09 2aet h ARG 62 Cb 0.00 0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.58 2aet h ARG 62 CO -0.01 0.97 0.06 1.25 -1.51 0.00 0.00 179.97 180.73 2aet h LEU 63 N 0.02 0.47 -0.67 3.80 5.85 -0.83 0.21 115.31 124.16 2aet h LEU 63 Ca -0.08 -0.25 0.01 0.00 0.84 0.00 0.00 57.88 58.40 2aet h LEU 63 Cb 1.85 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 42.72 2aet h LEU 63 CO 0.14 0.60 0.44 -0.61 -0.34 0.00 0.00 178.44 178.67 2aet h GLN 64 N 0.32 0.88 -0.34 1.25 5.75 -1.25 0.32 115.11 122.03 2aet h GLN 64 Ca 0.09 -0.05 -0.07 0.00 -0.15 0.00 0.00 58.65 58.47 2aet h GLN 64 Cb 0.32 -0.20 -0.01 0.00 1.07 0.00 0.00 27.48 28.66 2aet h GLN 64 CO 0.00 0.58 -0.06 0.00 -2.65 0.00 0.00 178.83 176.71 2aet h ALA 65 N 1.24 0.47 0.01 3.38 0.00 -1.11 -2.14 119.26 121.11 2aet h ALA 65 Ca 0.24 -0.28 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 2aet h ALA 65 Cb -0.10 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.57 2aet h ALA 65 CO -0.05 0.29 -0.00 0.77 0.00 0.00 0.00 179.25 180.25 2aet h SER 66 N 0.44 -0.01 -0.60 0.00 0.02 -0.09 -0.05 113.55 113.25 2aet h SER 66 Ca 0.09 -0.13 0.09 0.00 -0.84 0.00 0.00 61.79 61.00 2aet h SER 66 Cb 0.55 0.00 -0.07 0.00 0.14 0.00 0.00 62.40 63.02 2aet h SER 66 CO 0.03 0.12 0.23 0.25 -1.14 0.00 0.00 176.83 176.32 2aet h LEU 67 N -0.14 0.24 -0.59 5.07 5.85 -0.37 0.11 115.31 125.47 2aet h LEU 67 Ca -0.00 0.07 -0.12 0.00 0.84 0.00 0.00 57.88 58.67 2aet h LEU 67 Cb 0.14 0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.20 2aet h LEU 67 CO 0.00 0.15 -0.16 1.56 -0.34 0.00 0.00 178.44 179.64 2aet h GLN 68 N 0.42 0.95 -0.45 1.25 4.20 -1.20 -0.57 115.11 119.71 2aet h GLN 68 Ca 0.30 -0.37 -0.05 0.00 0.06 0.00 0.00 58.65 58.58 2aet h GLN 68 Cb 0.35 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 28.06 2aet h GLN 68 CO -0.29 1.04 0.05 1.15 -0.67 0.00 0.00 178.83 180.11 2aet h THR 69 N 0.83 1.22 -0.00 -0.54 2.02 0.01 -2.78 112.91 113.66 2aet h THR 69 Ca 0.12 -0.84 -0.01 0.00 0.77 0.00 0.00 66.41 66.45 2aet h THR 69 Cb 0.72 0.82 0.00 0.00 -1.74 0.00 0.00 68.15 67.95 2aet h THR 69 CO 0.06 0.30 -0.05 0.40 0.37 0.00 0.00 175.52 176.60 2aet h ILE 70 N 0.67 1.60 -1.00 3.11 1.08 -0.58 -2.67 117.51 119.72 2aet h ILE 70 Ca 0.14 -1.84 0.19 0.00 -0.39 0.00 0.00 64.86 62.96 2aet h ILE 70 Cb 0.34 2.83 -0.11 0.00 -3.07 0.00 0.00 36.82 36.82 2aet h ILE 70 CO 0.01 0.48 0.61 0.58 -0.69 0.00 0.00 178.15 179.14 2aet h VAL 71 N -0.72 0.72 0.72 1.67 2.07 -1.11 0.76 116.25 120.36 2aet h VAL 71 Ca -0.01 -0.27 -0.04 0.00 0.82 0.00 0.00 66.70 67.21 2aet h VAL 71 Cb 0.82 -0.13 0.01 0.00 -1.52 0.00 0.00 31.29 30.47 2aet h VAL 71 CO 0.01 0.14 -0.34 1.23 0.02 0.00 0.00 177.57 178.63 2aet h GLY 72 N 0.77 -1.01 0.07 2.17 0.00 -1.52 -0.60 103.07 102.95 2aet h GLY 72 Ca 0.57 0.37 0.09 0.00 0.00 0.00 0.00 47.33 48.36 2aet h GLY 72 CO -0.38 -0.37 -0.15 1.98 0.00 0.00 0.00 176.54 177.63 2aet h MET 73 N -1.00 -0.05 0.54 4.80 -1.53 -0.75 0.42 114.93 117.36 2aet h MET 73 Ca -0.10 0.00 -0.02 0.00 -3.44 0.00 0.00 59.70 56.15 2aet h MET 73 Cb 0.75 0.01 -0.01 0.00 -0.55 0.00 0.00 31.60 31.80 2aet h MET 73 CO 0.16 -0.03 -0.38 0.28 0.14 0.00 0.00 176.91 177.07 2aet h VAL 74 N -0.05 0.22 -0.68 -5.77 2.07 -0.87 -1.48 116.25 109.68 2aet h VAL 74 Ca 0.21 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.76 2aet h VAL 74 Cb 0.37 0.22 -0.04 0.00 -1.52 0.00 0.00 31.29 30.32 2aet h VAL 74 CO -0.47 0.00 0.42 0.58 0.02 0.00 0.00 177.57 178.12 2aet h VAL 75 N -0.89 1.08 0.00 2.57 2.07 -0.71 0.24 116.25 120.60 2aet h VAL 75 Ca -0.06 -0.28 0.00 0.00 0.82 0.00 0.00 66.70 67.18 2aet h VAL 75 Cb 0.75 0.19 0.00 0.00 -1.52 0.00 0.00 31.29 30.71 2aet h VAL 75 CO 0.03 0.15 0.00 1.88 0.02 0.00 0.00 177.57 179.65 2aet h TYR 76 N 0.81 0.00 0.00 1.57 -1.99 -0.08 -3.35 116.97 113.93 2aet h TYR 76 Ca 0.28 0.00 -0.11 0.00 2.00 0.00 0.00 58.73 60.90 2aet h TYR 76 Cb 0.04 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 38.75 2aet h TYR 76 CO -0.05 0.00 -1.41 0.43 -0.00 0.00 0.00 178.16 177.13 2aet n SER 77 N -2.68 3.51 -2.64 3.88 7.64 -0.57 -4.08 113.62 118.68 2aet n SER 77 Ca 0.03 -0.01 -0.33 0.00 1.01 0.00 0.00 58.87 59.56 2aet n SER 77 Cb 0.34 0.39 0.01 0.00 -1.01 0.00 0.00 64.21 63.95 2aet n SER 77 CO 0.00 0.00 0.00 0.79 -3.01 0.00 0.00 175.04 172.82 2aet n TRP 78 N -2.38 2.38 0.04 1.43 8.01 0.79 -3.45 117.44 124.27 2aet n TRP 78 Ca -0.11 -2.21 0.03 0.00 -1.31 0.00 0.00 57.50 53.89 2aet n TRP 78 Cb 0.67 -1.27 0.14 0.00 -2.01 0.00 0.00 31.31 28.84 2aet n TRP 78 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 2aet n ALA 79 N 0.03 0.90 0.50 6.99 0.00 -1.26 -2.51 120.51 125.16 2aet n ALA 79 Ca 0.51 0.05 0.05 0.00 0.00 0.00 0.00 53.44 54.05 2aet n ALA 79 Cb 0.41 -0.96 -0.04 0.00 0.00 0.00 0.00 19.45 18.86 2aet n ALA 79 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2aet n LYS 80 N -1.64 3.11 -1.98 0.00 4.76 -1.26 -5.02 118.16 116.13 2aet n LYS 80 Ca -0.00 -0.17 -0.28 0.00 -2.87 0.00 0.00 58.31 54.99 2aet n LYS 80 Cb 0.07 -1.03 0.10 0.00 -1.84 0.00 0.00 35.03 32.33 2aet n LYS 80 CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 2aet s VAL 81 N -1.86 2.06 1.03 -0.18 -7.23 -1.04 -5.05 120.40 108.12 2aet s VAL 81 Ca 0.05 -0.07 -0.14 0.00 -1.81 0.00 0.00 61.98 60.02 2aet s VAL 81 Cb 0.08 -2.99 0.20 0.00 0.56 0.00 0.00 36.38 34.23 2aet s VAL 81 CO 0.40 0.00 1.11 -0.94 -0.31 0.00 0.00 175.10 175.35 2aet s SER 82 N -4.61 2.41 0.03 4.85 1.04 -1.26 -4.87 113.70 111.30 2aet s SER 82 Ca 0.63 1.02 -0.26 0.00 0.48 0.00 0.00 55.95 57.83 2aet s SER 82 Cb -0.10 -1.59 -0.17 0.00 0.10 0.00 0.00 66.02 64.26 2aet s SER 82 CO 0.48 -3.24 1.43 0.11 0.98 0.00 0.00 173.24 173.00 2aet h LYS 83 N -1.97 -0.27 -0.92 4.02 1.57 -1.98 -2.35 116.57 114.66 2aet h LYS 83 Ca -0.53 0.02 0.14 0.00 -1.87 0.00 0.00 60.65 58.41 2aet h LYS 83 Cb 1.33 0.06 -0.09 0.00 0.08 0.00 0.00 32.23 33.61 2aet h LYS 83 CO 0.54 -0.00 0.54 0.93 -0.57 0.00 0.00 179.45 180.89 2aet h GLU 84 N -0.52 0.78 -0.44 3.15 4.39 -1.97 0.66 114.58 120.63 2aet h GLU 84 Ca -0.03 -0.05 -0.04 0.00 0.34 0.00 0.00 59.36 59.58 2aet h GLU 84 Cb 0.39 -0.18 -0.02 0.00 -0.10 0.00 0.00 28.75 28.84 2aet h GLU 84 CO 0.05 0.52 0.09 0.00 -1.16 0.00 0.00 179.01 178.50 2aet h MET 86 N 0.64 0.67 0.39 0.00 2.86 -0.39 -1.43 114.93 117.67 2aet h MET 86 Ca 0.14 -0.35 -0.01 0.00 -2.06 0.00 0.00 59.70 57.42 2aet h MET 86 Cb 0.27 0.01 -0.00 0.00 0.06 0.00 0.00 31.60 31.94 2aet h MET 86 CO -0.00 0.96 -0.24 0.00 1.06 0.00 0.00 176.91 178.70 2aet h ALA 87 N 0.69 -0.59 -0.62 6.32 0.00 -0.79 0.14 119.26 124.41 2aet h ALA 87 Ca 0.04 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 2aet h ALA 87 Cb 0.84 0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.89 2aet h ALA 87 CO 0.07 -0.84 0.26 -0.44 0.00 0.00 0.00 179.25 178.30 2aet h ASP 88 N -0.60 0.85 -0.34 0.00 3.32 -1.41 -1.28 116.42 116.96 2aet h ASP 88 Ca -0.04 -0.16 -0.02 0.00 0.02 0.00 0.00 57.03 56.82 2aet h ASP 88 Cb 0.49 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.80 2aet h ASP 88 CO 0.05 0.78 0.15 -0.07 -1.72 0.00 0.00 179.24 178.42 2aet h LEU 89 N 0.86 0.51 -0.84 1.55 3.38 -1.14 -1.87 115.31 117.77 2aet h LEU 89 Ca 0.21 -0.05 -0.06 0.00 0.09 0.00 0.00 57.88 58.07 2aet h LEU 89 Cb 0.18 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.77 2aet h LEU 89 CO -0.02 0.47 0.20 0.28 0.09 0.00 0.00 178.44 179.46 2aet h SER 90 N 0.56 1.00 -0.14 -0.43 0.02 0.37 -1.63 113.55 113.29 2aet h SER 90 Ca 0.14 -0.19 -0.03 0.00 -0.84 0.00 0.00 61.79 60.87 2aet h SER 90 Cb 0.13 -0.26 -0.00 0.00 0.14 0.00 0.00 62.40 62.40 2aet h SER 90 CO -0.01 0.94 -0.01 0.40 -1.14 0.00 0.00 176.83 177.00 2aet h ILE 91 N 1.02 1.27 -0.59 3.27 2.04 -0.55 -1.37 117.51 122.59 2aet h ILE 91 Ca 0.22 -0.88 0.05 0.00 1.00 0.00 0.00 64.86 65.25 2aet h ILE 91 Cb 0.31 1.57 -0.05 0.00 -0.74 0.00 0.00 36.82 37.91 2aet h ILE 91 CO -0.00 0.26 0.32 -0.74 0.00 0.00 0.00 178.15 177.98 2aet h HIS 92 N -0.02 0.58 0.00 1.37 2.76 -1.17 -0.70 115.15 117.98 2aet h HIS 92 Ca 0.04 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.23 2aet h HIS 92 Cb 0.40 -0.18 0.00 0.00 1.55 0.00 0.00 27.41 29.18 2aet h HIS 92 CO 0.04 0.28 0.00 1.88 -1.30 0.00 0.00 177.93 178.83 2aet h TYR 93 N 0.60 0.00 0.10 5.26 0.05 -1.28 -2.27 116.97 119.43 2aet h TYR 93 Ca 0.26 0.00 -0.26 0.00 0.05 0.00 0.00 58.73 58.78 2aet h TYR 93 Cb 0.15 0.00 0.01 0.00 1.01 0.00 0.00 36.73 37.90 2aet h TYR 93 CO -0.09 0.00 -1.18 1.15 -1.05 0.00 0.00 178.16 176.99 2aet h THR 94 N 0.00 1.47 -0.08 -2.88 2.02 -0.05 -2.29 112.91 111.11 2aet h THR 94 Ca 0.00 -2.90 -0.00 0.00 0.77 0.00 0.00 66.41 64.28 2aet h THR 94 Cb 0.68 2.82 -0.00 0.00 -1.74 0.00 0.00 68.15 69.91 2aet h THR 94 CO 0.00 0.85 0.04 1.88 0.37 0.00 0.00 175.52 178.66 2aet h TYR 95 N 0.11 0.11 -0.24 3.16 0.05 -0.91 -1.76 116.97 117.50 2aet h TYR 95 Ca -0.13 -0.00 -0.00 0.00 0.05 0.00 0.00 58.73 58.65 2aet h TYR 95 Cb 1.88 -0.03 -0.01 0.00 1.01 0.00 0.00 36.73 39.58 2aet h TYR 95 CO 0.07 0.16 0.14 1.79 -1.05 0.00 0.00 178.16 179.26 2aet h THR 96 N 0.03 1.07 -0.07 -2.88 1.35 -1.43 -1.78 112.91 109.20 2aet h THR 96 Ca 0.03 -0.16 -0.17 0.00 -0.55 0.00 0.00 66.41 65.56 2aet h THR 96 Cb 0.09 0.74 -0.01 0.00 -1.73 0.00 0.00 68.15 67.24 2aet h THR 96 CO -0.00 0.07 -0.70 0.25 -0.25 0.00 0.00 175.52 174.89 2aet h LEU 97 N 0.32 0.41 0.11 3.87 5.85 -1.00 -1.94 115.31 122.93 2aet h LEU 97 Ca 0.09 -0.26 -0.01 0.00 0.84 0.00 0.00 57.88 58.54 2aet h LEU 97 Cb -0.01 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 40.90 2aet h LEU 97 CO -0.02 0.98 -0.05 0.58 -0.34 0.00 0.00 178.44 179.59 2aet h VAL 98 N 0.24 0.95 -0.21 1.05 2.07 -0.47 -2.60 116.25 117.28 2aet h VAL 98 Ca -0.02 -0.22 0.01 0.00 0.82 0.00 0.00 66.70 67.28 2aet h VAL 98 Cb 1.26 1.09 -0.01 0.00 -1.52 0.00 0.00 31.29 32.11 2aet h VAL 98 CO 0.12 0.05 0.14 0.25 0.02 0.00 0.00 177.57 178.15 2aet h LEU 99 N -0.25 0.21 0.00 2.57 5.85 -1.41 -0.65 115.31 121.63 2aet h LEU 99 Ca -0.02 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.70 2aet h LEU 99 Cb 0.20 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.18 2aet h LEU 99 CO 0.02 0.15 0.01 -0.67 -0.34 0.00 0.00 178.44 177.62 2aet n ASP 100 N -4.51 0.00 -0.01 1.25 2.03 -0.73 -2.60 116.55 111.97 2aet n ASP 100 Ca 0.00 0.34 -0.03 0.00 0.52 0.00 0.00 54.79 55.62 2aet n ASP 100 Cb 0.10 -0.34 -0.01 0.00 -0.72 0.00 0.00 41.12 40.15 2aet n ASP 100 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 2aet n ASP 101 N -1.34 1.06 0.00 1.67 8.00 -0.29 -5.04 116.55 120.61 2aet n ASP 101 Ca 0.00 0.16 0.00 0.00 0.71 0.00 0.00 54.79 55.66 2aet n ASP 101 Cb 0.01 -0.44 0.00 0.00 -0.02 0.00 0.00 41.12 40.67 2aet n ASP 101 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 2aet n SER 102 N -3.52 0.00 -1.70 -2.24 2.88 -0.97 -4.81 113.62 103.26 2aet n SER 102 Ca -0.05 0.00 0.07 0.00 -1.33 0.00 0.00 58.87 57.56 2aet n SER 102 Cb 0.17 0.00 0.37 0.00 -0.75 0.00 0.00 64.21 64.01 2aet n SER 102 CO 0.00 0.00 0.00 2.29 -1.23 0.00 0.00 175.04 176.10 2aet n LYS 103 N 0.00 4.46 -3.21 -1.46 0.00 -1.26 -4.97 118.16 111.72 2aet n LYS 103 Ca 0.00 -3.11 -0.34 0.00 -0.00 0.00 0.00 58.31 54.87 2aet n LYS 103 Cb 0.00 -2.18 -0.06 0.00 -0.00 0.00 0.00 35.03 32.79 2aet n LYS 103 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 2aet s ASP 104 N -1.04 6.83 -0.07 -5.58 1.01 -1.26 -5.04 116.67 111.52 2aet s ASP 104 Ca 0.52 1.22 -0.30 0.00 0.71 0.00 0.00 52.55 54.71 2aet s ASP 104 Cb 0.40 -2.35 -0.02 0.00 1.01 0.00 0.00 42.92 41.96 2aet s ASP 104 CO 0.14 -0.07 1.11 -0.62 0.21 0.00 0.00 175.17 175.94 2aet s ASP 105 N -2.04 7.15 0.08 0.27 2.15 -1.26 -4.95 116.67 118.07 2aet s ASP 105 Ca 0.47 1.70 -0.14 0.00 0.43 0.00 0.00 52.55 55.01 2aet s ASP 105 Cb -0.13 -2.56 -0.19 0.00 -0.30 0.00 0.00 42.92 39.74 2aet s ASP 105 CO 0.19 -0.50 1.25 -0.65 -0.17 0.00 0.00 175.17 175.28 2aet h PRO 106 N 7.24 0.72 -0.06 4.34 0.11 -1.97 -3.40 132.00 138.98 2aet h PRO 106 Ca -0.33 -0.65 0.01 0.00 0.11 0.00 0.00 66.00 65.13 2aet h PRO 106 Cb 1.16 0.16 -0.01 0.00 0.11 0.00 0.00 31.00 32.42 2aet h PRO 106 CO 0.86 1.25 -0.03 0.98 -0.21 0.00 0.00 178.00 180.85 2aet n TYR 107 N -3.96 -0.03 -0.32 0.65 4.19 -1.26 -1.07 117.16 115.36 2aet n TYR 107 Ca -0.09 0.07 0.18 0.00 3.31 0.00 0.00 57.90 61.38 2aet n TYR 107 Cb 0.77 -0.34 0.44 0.00 0.49 0.00 0.00 39.34 40.70 2aet n TYR 107 CO 0.00 0.00 0.00 -1.00 0.91 0.00 0.00 176.86 176.77 2aet h PRO 108 N 0.00 0.52 -0.01 2.98 0.13 -2.02 -0.46 132.00 133.14 2aet h PRO 108 Ca 0.01 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.11 2aet h PRO 108 Cb 0.02 -0.12 0.00 0.00 0.13 0.00 0.00 31.00 31.04 2aet h PRO 108 CO -0.06 0.35 -0.02 0.25 -0.23 0.00 0.00 178.00 178.29 2aet n THR 109 N -4.67 0.00 0.03 1.56 -2.24 -0.24 -3.87 114.28 104.86 2aet n THR 109 Ca 0.24 -0.19 0.06 0.00 -2.27 0.00 0.00 64.05 61.88 2aet n THR 109 Cb 0.72 0.30 0.12 0.00 -2.10 0.00 0.00 70.33 69.37 2aet n THR 109 CO 0.00 0.00 0.00 0.23 -0.57 0.00 0.00 175.07 174.73 2aet n MET 110 N -0.12 2.14 0.22 -0.78 2.81 -0.19 -3.94 117.12 117.26 2aet n MET 110 Ca 0.19 -1.79 0.07 0.00 -1.81 0.00 0.00 57.70 54.37 2aet n MET 110 Cb 0.31 -1.26 0.49 0.00 -0.71 0.00 0.00 33.22 32.05 2aet n MET 110 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 2aet h VAL 111 N 2.14 0.91 0.00 2.03 2.07 -1.64 -3.10 116.25 118.67 2aet h VAL 111 Ca 0.00 -1.01 -0.01 0.00 0.82 0.00 0.00 66.70 66.50 2aet h VAL 111 Cb 0.66 1.59 -0.03 0.00 -1.52 0.00 0.00 31.29 31.99 2aet h VAL 111 CO 0.00 0.26 -0.40 0.59 0.02 0.00 0.00 177.57 178.04 2aet n ASN 112 N -3.82 1.77 0.22 0.57 3.02 -1.26 -4.86 115.26 110.90 2aet n ASN 112 Ca -0.01 -3.45 -0.16 0.00 -0.03 0.00 0.00 54.58 50.92 2aet n ASN 112 Cb 0.36 -0.47 -0.09 0.00 -0.61 0.00 0.00 39.78 38.97 2aet n ASN 112 CO 0.00 0.00 0.00 0.22 -2.62 0.00 0.00 177.26 174.86 2aet h TYR 113 N 0.68 -1.32 -0.77 3.10 3.20 -1.81 -0.39 116.97 119.66 2aet h TYR 113 Ca -0.02 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.86 2aet h TYR 113 Cb 1.09 0.53 -0.04 0.00 1.54 0.00 0.00 36.73 39.85 2aet h TYR 113 CO 0.47 -0.59 0.46 0.35 -1.64 0.00 0.00 178.16 177.21 2aet h PHE 114 N -0.84 1.02 -0.54 -3.82 3.57 -1.89 0.23 116.94 114.68 2aet h PHE 114 Ca -0.04 -0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.39 2aet h PHE 114 Cb 0.76 -0.33 -0.02 0.00 2.79 0.00 0.00 35.95 39.15 2aet h PHE 114 CO -0.30 0.69 0.08 -0.44 -2.23 0.00 0.00 178.31 176.11 2aet h ASP 115 N 1.06 0.86 -0.03 0.41 3.32 -1.90 -0.38 116.42 119.77 2aet h ASP 115 Ca 0.28 -0.27 -0.10 0.00 0.02 0.00 0.00 57.03 56.96 2aet h ASP 115 Cb -0.03 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.28 2aet h ASP 115 CO -0.05 0.91 -0.28 0.44 -1.72 0.00 0.00 179.24 178.54 2aet h ASP 116 N 0.78 0.47 0.51 6.45 3.32 -0.85 -2.02 116.42 125.08 2aet h ASP 116 Ca 0.16 -0.17 -0.03 0.00 0.02 0.00 0.00 57.03 57.02 2aet h ASP 116 Cb 0.42 -0.13 0.01 0.00 0.22 0.00 0.00 39.33 39.85 2aet h ASP 116 CO 0.01 0.74 -0.25 0.25 -1.72 0.00 0.00 179.24 178.27 2aet h LEU 117 N 0.41 -0.58 -2.08 1.55 5.85 -0.62 -0.44 115.31 119.40 2aet h LEU 117 Ca 0.06 -0.04 0.04 0.00 0.84 0.00 0.00 57.88 58.77 2aet h LEU 117 Cb 0.70 0.15 -0.00 0.00 0.37 0.00 0.00 40.66 41.87 2aet h LEU 117 CO 0.05 -0.31 0.10 -0.61 -0.34 0.00 0.00 178.44 177.33 2aet h GLN 118 N -0.85 0.00 0.00 1.25 5.75 -1.02 -2.02 115.11 118.22 2aet h GLN 118 Ca -0.07 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.43 2aet h GLN 118 Cb 0.59 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.14 2aet h GLN 118 CO 0.12 0.00 -0.74 0.00 -2.65 0.00 0.00 178.83 175.55 2aet n ALA 119 N -2.51 3.31 -0.73 3.38 0.00 -0.76 -4.95 120.51 118.24 2aet n ALA 119 Ca -0.00 -0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.10 2aet n ALA 119 Cb 0.21 -1.08 0.00 0.00 0.00 0.00 0.00 19.45 18.59 2aet n ALA 119 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2aet n GLY 120 N 1.40 0.74 3.80 0.00 0.00 -0.32 -5.03 105.19 105.78 2aet n GLY 120 Ca 0.03 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.71 2aet n GLY 120 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2aet s ARG 121 N -0.27 4.07 0.29 1.61 0.52 -0.38 -4.98 118.95 119.81 2aet s ARG 121 Ca 0.00 1.35 -0.30 0.00 -0.52 0.00 0.00 55.73 56.26 2aet s ARG 121 Cb 0.00 -2.30 -0.11 0.00 0.52 0.00 0.00 34.95 33.06 2aet s ARG 121 CO 0.00 -0.20 1.52 -2.00 0.02 0.00 0.00 175.30 174.64 2aet s GLU 122 N -2.90 4.18 0.55 3.54 2.12 -1.26 -4.44 118.70 120.48 2aet s GLU 122 Ca 0.62 2.48 -0.21 0.00 0.36 0.00 0.00 54.97 58.21 2aet s GLU 122 Cb -0.17 -3.05 -0.05 0.00 0.26 0.00 0.00 34.13 31.13 2aet s GLU 122 CO 0.21 -0.54 1.30 1.04 -0.54 0.00 0.00 175.26 176.73 2aet n GLN 123 N 1.99 1.55 0.09 4.30 1.13 -1.26 -4.93 117.38 120.25 2aet n GLN 123 Ca 0.07 0.57 -0.04 0.00 -1.94 0.00 0.00 57.00 55.66 2aet n GLN 123 Cb 0.39 -2.51 0.13 0.00 0.11 0.00 0.00 30.24 28.36 2aet n GLN 123 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2aet h ALA 124 N 1.27 0.87 -2.13 -1.58 0.00 -1.93 -3.41 119.26 112.34 2aet h ALA 124 Ca -0.50 -0.55 -0.58 0.00 0.00 0.00 0.00 54.91 53.28 2aet h ALA 124 Cb 1.31 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 18.96 2aet h ALA 124 CO 0.56 0.74 0.73 -1.58 0.00 0.00 0.00 179.25 179.70 2aet s HIS 125 N -3.72 3.38 0.30 0.00 5.04 -1.25 -4.93 115.29 114.10 2aet s HIS 125 Ca -0.03 1.48 0.06 0.00 -1.54 0.00 0.00 55.06 55.02 2aet s HIS 125 Cb 0.12 -3.24 0.76 0.00 0.04 0.00 0.00 32.58 30.26 2aet s HIS 125 CO 0.79 -0.42 1.73 -1.00 -2.34 0.00 0.00 174.74 173.51 2aet h PRO 126 N 7.38 0.56 -0.26 2.88 0.13 -1.88 -0.41 132.00 140.41 2aet h PRO 126 Ca -0.22 -0.03 0.03 0.00 -0.87 0.00 0.00 66.00 64.91 2aet h PRO 126 Cb 1.08 -0.13 -0.03 0.00 0.13 0.00 0.00 31.00 32.05 2aet h PRO 126 CO 0.95 0.37 0.06 2.35 -0.23 0.00 0.00 178.00 181.50 2aet h TRP 127 N 0.58 0.11 -0.13 1.56 7.01 -1.92 0.57 115.95 123.73 2aet h TRP 127 Ca 0.58 0.02 -0.06 0.00 2.11 0.00 0.00 58.89 61.53 2aet h TRP 127 Cb 1.03 -0.01 -0.01 0.00 -2.10 0.00 0.00 29.16 28.07 2aet h TRP 127 CO -0.05 0.04 -0.21 -1.49 -2.79 0.00 0.00 178.44 173.93 2aet h TRP 128 N 0.17 0.23 -0.39 2.65 -0.00 -1.56 0.16 115.95 117.21 2aet h TRP 128 Ca 0.12 -0.03 -0.10 0.00 -0.00 0.00 0.00 58.89 58.88 2aet h TRP 128 Cb 0.11 -0.06 -0.02 0.00 -0.00 0.00 0.00 29.16 29.19 2aet h TRP 128 CO -0.15 0.42 -0.15 0.00 -0.00 0.00 0.00 178.44 178.56 2aet h ALA 129 N 1.59 1.00 0.01 1.49 0.00 0.19 -2.07 119.26 121.47 2aet h ALA 129 Ca 0.04 -0.33 -0.12 0.00 0.00 0.00 0.00 54.91 54.49 2aet h ALA 129 Cb 0.49 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 2aet h ALA 129 CO 0.03 0.59 -0.65 -0.07 0.00 0.00 0.00 179.25 179.15 2aet h LEU 130 N 0.65 0.04 -0.81 0.00 3.38 -0.41 -3.19 115.31 114.97 2aet h LEU 130 Ca 0.10 -0.79 0.01 0.00 0.09 0.00 0.00 57.88 57.30 2aet h LEU 130 Cb 0.62 -0.01 -0.04 0.00 0.09 0.00 0.00 40.66 41.32 2aet h LEU 130 CO 0.04 1.26 0.53 0.58 0.09 0.00 0.00 178.44 180.95 2aet h VAL 131 N -0.93 1.20 0.00 1.22 2.07 -0.78 -1.89 116.25 117.15 2aet h VAL 131 Ca -0.17 -0.37 -0.10 0.00 0.82 0.00 0.00 66.70 66.88 2aet h VAL 131 Cb 1.21 0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 30.98 2aet h VAL 131 CO -0.08 0.20 -0.46 0.78 0.02 0.00 0.00 177.57 178.03 2aet h ASN 132 N 1.09 0.00 0.80 0.57 2.35 -1.55 0.05 115.58 118.89 2aet h ASN 132 Ca 0.30 0.00 -0.12 0.00 -0.55 0.00 0.00 56.30 55.92 2aet h ASN 132 Cb -0.11 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.24 2aet h ASN 132 CO -0.07 0.46 -0.59 -0.08 -1.65 0.00 0.00 177.43 175.50 2aet h GLU 133 N 0.00 0.00 0.01 0.81 4.81 -1.42 -3.30 114.58 115.49 2aet h GLU 133 Ca -0.00 0.00 -0.31 0.00 -0.13 0.00 0.00 59.36 58.91 2aet h GLU 133 Cb 0.96 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 30.29 2aet h GLU 133 CO 0.06 0.59 -1.86 1.58 -0.73 0.00 0.00 179.01 178.65 2aet n HIS 134 N -3.62 0.83 -0.25 0.92 -0.00 -0.76 -4.53 115.22 107.81 2aet n HIS 134 Ca -0.00 0.29 0.13 0.00 0.46 0.00 0.00 57.72 58.59 2aet n HIS 134 Cb 0.64 -1.15 0.26 0.00 -0.12 0.00 0.00 29.99 29.61 2aet n HIS 134 CO 0.00 0.00 0.00 0.34 0.46 0.00 0.00 176.34 177.14 2aet n PHE 135 N -3.03 0.54 -0.35 1.57 -0.00 -0.01 -0.12 117.46 116.06 2aet n PHE 135 Ca -0.21 0.87 0.13 0.00 -0.00 0.00 0.00 57.45 58.25 2aet n PHE 135 Cb 1.07 -1.09 0.33 0.00 -0.00 0.00 0.00 39.48 39.78 2aet n PHE 135 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.76 175.41 2aet h PRO 136 N 0.00 0.70 0.00 -7.13 0.11 -1.80 0.38 132.00 124.26 2aet h PRO 136 Ca 0.48 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 66.53 2aet h PRO 136 Cb 1.05 -0.16 -0.00 0.00 0.11 0.00 0.00 31.00 32.00 2aet h PRO 136 CO -0.66 0.46 -0.05 -0.91 -0.21 0.00 0.00 178.00 176.63 2aet h ASN 137 N 0.72 0.00 0.05 -2.05 -0.26 -0.85 -0.17 115.58 113.02 2aet h ASN 137 Ca 0.58 0.00 -0.23 0.00 -0.56 0.00 0.00 56.30 56.09 2aet h ASN 137 Cb 0.94 0.00 -0.02 0.00 -1.06 0.00 0.00 38.32 38.18 2aet h ASN 137 CO -0.40 0.05 -1.24 0.58 -1.06 0.00 0.00 177.43 175.36 2aet h VAL 138 N 0.00 1.02 -0.10 2.81 2.07 -0.50 -3.39 116.25 118.16 2aet h VAL 138 Ca -0.00 -2.29 -0.01 0.00 0.82 0.00 0.00 66.70 65.22 2aet h VAL 138 Cb 0.16 2.55 -0.01 0.00 -1.52 0.00 0.00 31.29 32.47 2aet h VAL 138 CO 0.01 0.54 0.01 -0.07 0.02 0.00 0.00 177.57 178.08 2aet h LEU 139 N -0.66 0.13 -2.10 2.57 3.38 -0.27 -2.55 115.31 115.81 2aet h LEU 139 Ca -0.30 -0.01 0.09 0.00 0.09 0.00 0.00 57.88 57.75 2aet h LEU 139 Cb 1.50 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 42.20 2aet h LEU 139 CO -0.07 0.15 0.30 0.08 0.09 0.00 0.00 178.44 178.99 2aet h ARG 140 N 0.14 0.00 0.00 1.13 0.11 -1.23 0.11 114.38 114.64 2aet h ARG 140 Ca 0.04 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.12 2aet h ARG 140 Cb 0.08 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.16 2aet h ARG 140 CO -0.00 0.00 0.00 0.72 0.10 0.00 0.00 179.97 180.79 2aet n HIS 141 N -3.92 0.00 -4.39 4.08 8.25 -0.96 -4.90 115.22 113.38 2aet n HIS 141 Ca 0.05 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.31 2aet n HIS 141 Cb 0.46 -0.39 -0.10 0.00 1.12 0.00 0.00 29.99 31.07 2aet n HIS 141 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 2aet s PHE 142 N -2.79 1.79 0.69 4.41 0.40 0.36 -1.27 117.98 121.57 2aet s PHE 142 Ca 0.17 -0.87 -0.07 0.00 -0.60 0.00 0.00 56.93 55.57 2aet s PHE 142 Cb 0.16 -1.07 0.05 0.00 0.51 0.00 0.00 43.02 42.67 2aet s PHE 142 CO 0.41 0.07 1.01 0.20 0.70 0.00 0.00 175.22 177.60 2aet s GLY 143 N -3.40 1.66 0.19 4.36 0.00 -1.26 -4.83 107.32 104.04 2aet s GLY 143 Ca 0.31 -0.82 -0.18 0.00 0.00 0.00 0.00 44.72 44.03 2aet s GLY 143 CO 0.12 -0.44 1.61 -0.56 0.00 0.00 0.00 173.10 173.82 2aet h PRO 144 N -0.54 -0.11 -0.31 2.90 0.13 -1.99 -1.62 132.00 130.46 2aet h PRO 144 Ca -0.45 0.01 -0.01 0.00 -0.87 0.00 0.00 66.00 64.68 2aet h PRO 144 Cb 1.30 0.03 -0.01 0.00 0.13 0.00 0.00 31.00 32.44 2aet h PRO 144 CO 0.61 -0.07 0.17 0.35 -0.23 0.00 0.00 178.00 178.83 2aet h PHE 145 N -0.11 0.42 -0.84 1.56 3.57 -1.97 -1.15 116.94 118.42 2aet h PHE 145 Ca 0.25 -0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.71 2aet h PHE 145 Cb 0.51 -0.14 -0.04 0.00 2.79 0.00 0.00 35.95 39.07 2aet h PHE 145 CO -0.55 0.34 0.41 0.00 -2.23 0.00 0.00 178.31 176.28 2aet h SER 147 N 1.19 -0.04 -0.70 0.00 0.02 -0.90 -1.21 113.55 111.92 2aet h SER 147 Ca 0.29 0.02 0.12 0.00 -0.84 0.00 0.00 61.79 61.39 2aet h SER 147 Cb 0.11 0.04 -0.09 0.00 0.14 0.00 0.00 62.40 62.60 2aet h SER 147 CO -0.04 -0.01 0.25 0.25 -1.14 0.00 0.00 176.83 176.15 2aet h LEU 148 N 0.03 0.22 -1.06 5.07 5.85 -0.94 0.15 115.31 124.62 2aet h LEU 148 Ca 0.04 0.10 0.04 0.00 0.84 0.00 0.00 57.88 58.90 2aet h LEU 148 Cb 0.05 0.09 -0.06 0.00 0.37 0.00 0.00 40.66 41.12 2aet h LEU 148 CO -0.08 0.10 0.63 0.78 -0.34 0.00 0.00 178.44 179.53 2aet h ASN 149 N 0.41 1.05 0.15 1.25 2.35 -0.96 -0.61 115.58 119.23 2aet h ASN 149 Ca 0.37 -0.01 -0.01 0.00 -0.55 0.00 0.00 56.30 56.10 2aet h ASN 149 Cb 0.54 -0.24 0.00 0.00 0.05 0.00 0.00 38.32 38.66 2aet h ASN 149 CO -0.38 0.72 -0.07 -0.07 -1.65 0.00 0.00 177.43 175.98 2aet h LEU 150 N 1.22 -0.17 -0.21 1.61 4.07 0.37 -2.26 115.31 119.93 2aet h LEU 150 Ca 0.38 -0.16 0.04 0.00 0.08 0.00 0.00 57.88 58.22 2aet h LEU 150 Cb 0.00 0.05 -0.04 0.00 1.08 0.00 0.00 40.66 41.75 2aet h LEU 150 CO -0.12 0.06 -0.02 0.40 -1.08 0.00 0.00 178.44 177.69 2aet h ILE 151 N -0.41 0.83 0.00 1.22 2.04 -0.58 -1.24 117.51 119.36 2aet h ILE 151 Ca -0.02 -0.02 0.02 0.00 1.00 0.00 0.00 64.86 65.84 2aet h ILE 151 Cb 0.33 0.78 -0.02 0.00 -0.74 0.00 0.00 36.82 37.16 2aet h ILE 151 CO 0.03 0.01 -0.11 0.03 0.00 0.00 0.00 178.15 178.11 2aet h ARG 152 N 0.04 -0.18 -0.76 2.37 3.08 -1.14 -0.24 114.38 117.55 2aet h ARG 152 Ca 0.10 0.01 0.02 0.00 0.07 0.00 0.00 59.98 60.18 2aet h ARG 152 Cb 0.14 0.04 -0.04 0.00 0.08 0.00 0.00 29.97 30.19 2aet h ARG 152 CO -0.19 -0.12 0.50 1.03 -1.07 0.00 0.00 179.97 180.11 2aet h SER 153 N -0.19 0.84 -0.58 7.04 0.87 -1.24 0.82 113.55 121.11 2aet h SER 153 Ca 0.04 -0.01 -0.07 0.00 -1.23 0.00 0.00 61.79 60.52 2aet h SER 153 Cb 0.24 -0.20 -0.03 0.00 -0.44 0.00 0.00 62.40 61.98 2aet h SER 153 CO -0.11 0.59 0.11 0.74 -0.53 0.00 0.00 176.83 177.63 2aet h THR 154 N 0.99 1.25 0.00 2.23 2.02 -0.98 0.25 112.91 118.68 2aet h THR 154 Ca 0.29 -0.97 -0.00 0.00 0.77 0.00 0.00 66.41 66.51 2aet h THR 154 Cb -0.05 0.66 0.00 0.00 -1.74 0.00 0.00 68.15 67.02 2aet h THR 154 CO -0.09 0.36 -0.00 0.25 0.37 0.00 0.00 175.52 176.41 2aet h LEU 155 N 0.93 -0.00 -1.12 2.58 5.85 0.57 -2.14 115.31 121.98 2aet h LEU 155 Ca 0.19 -0.14 0.10 0.00 0.84 0.00 0.00 57.88 58.87 2aet h LEU 155 Cb 0.39 0.00 -0.07 0.00 0.37 0.00 0.00 40.66 41.35 2aet h LEU 155 CO 0.01 0.14 0.60 0.44 -0.34 0.00 0.00 178.44 179.29 2aet h ASP 156 N -0.15 0.87 -0.10 1.25 5.19 0.99 -1.81 116.42 122.66 2aet h ASP 156 Ca -0.00 0.03 -0.05 0.00 -0.62 0.00 0.00 57.03 56.39 2aet h ASP 156 Cb 0.14 -0.15 -0.01 0.00 0.18 0.00 0.00 39.33 39.49 2aet h ASP 156 CO 0.00 0.50 -0.08 0.15 -3.12 0.00 0.00 179.24 176.70 2aet h PHE 157 N 0.95 0.40 -0.43 4.55 3.57 -0.02 -1.20 116.94 124.76 2aet h PHE 157 Ca 0.44 -0.04 -0.08 0.00 3.53 0.00 0.00 57.97 61.81 2aet h PHE 157 Cb 0.40 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 39.02 2aet h PHE 157 CO -0.00 0.46 -0.06 0.35 -2.23 0.00 0.00 178.31 176.83 2aet h PHE 158 N 0.36 0.88 -0.46 0.41 3.57 -0.70 -2.42 116.94 118.58 2aet h PHE 158 Ca 0.08 -0.17 -0.06 0.00 3.53 0.00 0.00 57.97 61.34 2aet h PHE 158 Cb 0.37 -0.22 -0.02 0.00 2.79 0.00 0.00 35.95 38.86 2aet h PHE 158 CO 0.01 0.88 0.02 1.49 -2.23 0.00 0.00 178.31 178.48 2aet h GLU 159 N 0.62 0.75 -0.44 1.11 4.81 -1.29 -2.52 114.58 117.63 2aet h GLU 159 Ca 0.11 -0.19 0.03 0.00 -0.13 0.00 0.00 59.36 59.19 2aet h GLU 159 Cb 0.57 -0.10 -0.04 0.00 0.63 0.00 0.00 28.75 29.82 2aet h GLU 159 CO 0.03 0.75 0.22 0.78 -0.73 0.00 0.00 179.01 180.06 2aet h GLY 160 N 0.95 0.61 1.80 1.92 0.00 -0.77 -0.43 103.07 107.14 2aet h GLY 160 Ca 0.14 -0.15 -0.10 0.00 0.00 0.00 0.00 47.33 47.22 2aet h GLY 160 CO 0.01 0.11 -0.37 0.00 0.00 0.00 0.00 176.54 176.29 2aet h TRP 162 N 0.20 -0.57 -0.58 0.00 2.91 -0.98 -1.72 115.95 115.20 2aet h TRP 162 Ca 0.02 -0.01 0.04 0.00 1.13 0.00 0.00 58.89 60.07 2aet h TRP 162 Cb 0.75 0.19 -0.05 0.00 -0.51 0.00 0.00 29.16 29.54 2aet h TRP 162 CO 0.01 -0.30 0.32 0.82 -1.03 0.00 0.00 178.44 178.27 2aet h ILE 163 N -0.74 1.00 -0.25 2.65 2.04 -0.91 -2.77 117.51 118.52 2aet h ILE 163 Ca -0.06 -0.21 0.06 0.00 1.00 0.00 0.00 64.86 65.64 2aet h ILE 163 Cb 0.53 0.32 -0.06 0.00 -0.74 0.00 0.00 36.82 36.88 2aet h ILE 163 CO 0.10 0.11 -0.10 -0.33 0.00 0.00 0.00 178.15 177.94 2aet h GLU 164 N 0.62 -0.06 -1.83 2.37 5.08 -0.92 -2.43 114.58 117.42 2aet h GLU 164 Ca 0.25 0.00 0.55 0.00 -1.00 0.00 0.00 59.36 59.16 2aet h GLU 164 Cb 0.11 0.01 -0.10 0.00 0.50 0.00 0.00 28.75 29.28 2aet h GLU 164 CO -0.14 -0.04 1.29 1.04 -1.00 0.00 0.00 179.01 180.16 2aet n GLN 165 N -5.27 -0.01 0.00 2.33 6.02 -0.66 0.18 117.38 119.96 2aet n GLN 165 Ca -0.01 1.13 0.01 0.00 -0.01 0.00 0.00 57.00 58.11 2aet n GLN 165 Cb 0.19 -2.50 0.03 0.00 1.02 0.00 0.00 30.24 28.98 2aet n GLN 165 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 2aet n TYR 166 N -4.13 0.00 -3.67 1.08 4.02 -0.91 -4.91 117.16 108.65 2aet n TYR 166 Ca 0.44 0.00 -0.16 0.00 -0.01 0.00 0.00 57.90 58.17 2aet n TYR 166 Cb 1.91 0.00 0.01 0.00 -0.02 0.00 0.00 39.34 41.23 2aet n TYR 166 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 2aet n ASN 167 N -0.52 -1.59 -4.28 7.72 5.15 0.47 -4.90 115.26 117.31 2aet n ASN 167 Ca 0.01 -0.47 -0.33 0.00 -0.60 0.00 0.00 54.58 53.19 2aet n ASN 167 Cb 0.00 -0.59 -0.15 0.00 -0.53 0.00 0.00 39.78 38.51 2aet n ASN 167 CO 0.00 0.00 0.00 0.12 1.40 0.00 0.00 177.26 178.78 2aet s PHE 168 N -3.97 2.76 -2.23 1.20 5.36 -1.26 -5.01 117.98 114.83 2aet s PHE 168 Ca 0.14 -0.94 0.22 0.00 -0.96 0.00 0.00 56.93 55.39 2aet s PHE 168 Cb -0.08 -1.85 0.54 0.00 -0.34 0.00 0.00 43.02 41.28 2aet s PHE 168 CO 0.36 -0.40 1.47 0.41 -1.46 0.00 0.00 175.22 175.59 2aet n GLY 169 N 3.85 1.90 0.00 13.12 0.00 -1.26 -5.01 105.19 117.79 2aet n GLY 169 Ca -0.19 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.11 2aet n GLY 169 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2aet n GLY 170 N 1.53 0.72 3.69 -0.02 0.00 -1.26 -4.07 105.19 105.78 2aet n GLY 170 Ca 0.21 -1.37 -0.45 0.00 0.00 0.00 0.00 46.02 44.41 2aet n GLY 170 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2aet n PHE 171 N 1.79 2.40 -1.64 1.61 3.72 -1.26 -4.21 117.46 119.88 2aet n PHE 171 Ca 0.00 0.26 -0.50 0.00 -0.05 0.00 0.00 57.45 57.16 2aet n PHE 171 Cb 0.00 -2.56 -0.05 0.00 -0.94 0.00 0.00 39.48 35.93 2aet n PHE 171 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 176.76 174.41 2aet n PRO 172 N 3.07 1.67 0.00 -1.08 -0.02 -1.26 -0.94 135.00 136.43 2aet n PRO 172 Ca 0.15 0.60 0.00 0.00 -2.02 0.00 0.00 63.50 62.23 2aet n PRO 172 Cb 0.31 -2.32 0.00 0.00 -0.02 0.00 0.00 33.50 31.47 2aet n PRO 172 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2aet n GLY 173 N 3.26 1.09 2.69 -1.23 0.00 0.39 -4.99 105.19 106.40 2aet n GLY 173 Ca 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.80 2aet n GLY 173 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2aet n SER 174 N 0.00 5.82 0.25 1.61 2.88 -0.12 -4.82 113.62 119.24 2aet n SER 174 Ca 0.00 -2.99 0.09 0.00 -1.33 0.00 0.00 58.87 54.63 2aet n SER 174 Cb 0.00 -1.51 0.47 0.00 -0.75 0.00 0.00 64.21 62.42 2aet n SER 174 CO 0.00 0.00 0.00 0.45 -1.23 0.00 0.00 175.04 174.26 2aet h HIS 175 N 5.49 0.00 0.00 0.66 3.86 -1.86 -0.74 115.15 122.55 2aet h HIS 175 Ca 0.55 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.76 2aet h HIS 175 Cb 0.53 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.00 2aet h HIS 175 CO 1.44 0.00 -1.13 -0.25 0.86 0.00 0.00 177.93 178.85 2aet n ASP 176 N -2.41 0.70 0.01 2.45 8.00 -1.26 -4.44 116.55 119.60 2aet n ASP 176 Ca -0.01 0.23 -0.10 0.00 0.71 0.00 0.00 54.79 55.62 2aet n ASP 176 Cb 0.46 0.69 -0.03 0.00 -0.02 0.00 0.00 41.12 42.21 2aet n ASP 176 CO 0.00 0.00 0.00 0.22 -0.39 0.00 0.00 177.20 177.03 2aet h TYR 177 N 0.00 -0.62 0.00 1.24 3.20 -1.54 -2.81 116.97 116.44 2aet h TYR 177 Ca 0.00 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.90 2aet h TYR 177 Cb 0.97 0.29 0.00 0.00 1.54 0.00 0.00 36.73 39.53 2aet h TYR 177 CO 0.00 -0.32 0.00 -2.30 -1.64 0.00 0.00 178.16 173.90 2aet n PRO 178 N -5.36 0.00 0.19 1.82 -0.02 -1.26 -1.19 135.00 129.18 2aet n PRO 178 Ca -0.03 0.81 0.06 0.00 -2.02 0.00 0.00 63.50 62.32 2aet n PRO 178 Cb 0.28 -1.33 0.55 0.00 -0.02 0.00 0.00 33.50 32.98 2aet n PRO 178 CO 0.00 0.00 0.00 1.96 1.98 0.00 0.00 175.50 179.44 2aet h GLN 179 N 0.00 0.13 0.39 -0.52 4.20 -1.86 -0.61 115.11 116.84 2aet h GLN 179 Ca 0.00 -0.01 -0.00 0.00 0.06 0.00 0.00 58.65 58.69 2aet h GLN 179 Cb 0.00 -0.03 -0.03 0.00 0.30 0.00 0.00 27.48 27.73 2aet h GLN 179 CO 0.00 0.13 -0.44 0.35 -0.67 0.00 0.00 178.83 178.21 2aet h PHE 180 N 0.13 -1.20 -0.84 2.96 3.57 -1.14 -0.25 116.94 120.17 2aet h PHE 180 Ca 0.03 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.52 2aet h PHE 180 Cb 0.07 0.47 -0.04 0.00 2.79 0.00 0.00 35.95 39.24 2aet h PHE 180 CO 0.00 -0.59 0.42 1.25 -2.23 0.00 0.00 178.31 177.17 2aet h LEU 181 N -0.86 1.09 0.02 0.59 5.85 -0.74 -2.19 115.31 119.07 2aet h LEU 181 Ca -0.03 -0.12 0.02 0.00 0.84 0.00 0.00 57.88 58.58 2aet h LEU 181 Cb 0.77 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.49 2aet h LEU 181 CO -0.09 0.90 -0.17 -0.09 -0.34 0.00 0.00 178.44 178.66 2aet h ARG 182 N 1.19 -0.27 -0.83 1.25 9.65 -0.60 -2.01 114.38 122.76 2aet h ARG 182 Ca 0.29 0.02 0.02 0.00 -1.10 0.00 0.00 59.98 59.21 2aet h ARG 182 Cb 0.09 0.06 -0.04 0.00 -1.39 0.00 0.00 29.97 28.69 2aet h ARG 182 CO -0.04 -0.18 0.54 0.00 2.80 0.00 0.00 179.97 183.09 2aet h ARG 183 N -0.29 1.06 -0.60 0.20 3.08 -0.93 0.24 114.38 117.15 2aet h ARG 183 Ca 0.05 -0.06 0.12 0.00 0.07 0.00 0.00 59.98 60.16 2aet h ARG 183 Cb 0.34 -0.24 -0.11 0.00 0.08 0.00 0.00 29.97 30.05 2aet h ARG 183 CO -0.15 0.70 -0.05 0.52 -1.07 0.00 0.00 179.97 179.92 2aet h MET 184 N 1.09 0.07 -0.53 0.04 2.86 -0.73 -2.31 114.93 115.42 2aet h MET 184 Ca 0.31 -0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.95 2aet h MET 184 Cb -0.08 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 31.56 2aet h MET 184 CO -0.08 0.05 0.00 0.27 1.06 0.00 0.00 176.91 178.20 2aet n ASN 185 N -5.33 3.46 0.14 1.22 0.23 -0.83 -2.70 115.26 111.46 2aet n ASN 185 Ca 0.08 -1.98 0.13 0.00 -0.53 0.00 0.00 54.58 52.28 2aet n ASN 185 Cb 0.33 -0.35 0.28 0.00 -2.08 0.00 0.00 39.78 37.96 2aet n ASN 185 CO 0.00 0.00 0.00 1.23 -0.93 0.00 0.00 177.26 177.56 2aet h GLY 186 N 3.44 0.00 -2.94 4.83 0.00 0.08 -3.47 103.07 105.01 2aet h GLY 186 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 47.33 47.01 2aet h GLY 186 CO 0.00 0.00 -0.38 1.04 0.00 0.00 0.00 176.54 177.20 2aet n LEU 187 N -2.54 -1.40 -0.14 3.11 4.77 -1.25 -4.84 117.00 114.72 2aet n LEU 187 Ca 0.05 0.18 -0.04 0.00 -0.03 0.00 0.00 56.01 56.17 2aet n LEU 187 Cb 0.47 -2.43 0.04 0.00 -2.33 0.00 0.00 43.42 39.17 2aet n LEU 187 CO 0.33 -0.33 0.90 1.23 -1.33 0.00 0.00 177.39 178.19 2aet h GLY 188 N 0.00 0.51 2.00 -0.72 0.00 -1.86 -0.73 103.07 102.27 2aet h GLY 188 Ca -0.36 -0.01 0.00 0.00 0.00 0.00 0.00 47.33 46.95 2aet h GLY 188 CO 0.45 -0.06 0.00 0.45 0.00 0.00 0.00 176.54 177.39 2aet h HIS 189 N 0.21 0.00 0.14 5.60 3.86 -1.88 -1.23 115.15 121.85 2aet h HIS 189 Ca 0.22 0.00 -0.28 0.00 -1.16 0.00 0.00 60.37 59.15 2aet h HIS 189 Cb 0.28 0.00 0.01 0.00 1.06 0.00 0.00 27.41 28.75 2aet h HIS 189 CO -0.22 0.00 -1.38 0.00 0.86 0.00 0.00 177.93 177.18 2aet h VAL 191 N -0.21 0.54 0.00 0.00 2.07 -1.10 -1.80 116.25 115.74 2aet h VAL 191 Ca -0.28 -0.46 0.00 0.00 0.82 0.00 0.00 66.70 66.78 2aet h VAL 191 Cb 1.83 0.74 0.00 0.00 -1.52 0.00 0.00 31.29 32.34 2aet h VAL 191 CO 0.11 0.08 0.00 1.23 0.02 0.00 0.00 177.57 179.01 2aet h GLY 192 N -0.84 0.00 0.46 2.17 0.00 -1.39 -2.55 103.07 100.92 2aet h GLY 192 Ca -0.06 0.00 -0.34 0.00 0.00 0.00 0.00 47.33 46.94 2aet h GLY 192 CO 0.09 0.00 -2.08 0.00 0.00 0.00 0.00 176.54 174.56 2aet n ALA 193 N -2.00 1.45 0.39 3.60 0.00 -1.12 -4.06 120.51 118.77 2aet n ALA 193 Ca -0.02 -1.03 0.05 0.00 0.00 0.00 0.00 53.44 52.44 2aet n ALA 193 Cb 0.08 -0.50 0.23 0.00 0.00 0.00 0.00 19.45 19.27 2aet n ALA 193 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2aet n SER 194 N -2.96 0.00 0.00 0.00 3.41 -0.69 -2.28 113.62 111.10 2aet n SER 194 Ca -0.27 0.46 0.13 0.00 -0.26 0.00 0.00 58.87 58.93 2aet n SER 194 Cb 1.10 -0.48 0.73 0.00 -0.26 0.00 0.00 64.21 65.29 2aet n SER 194 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2aet n LEU 195 N -1.48 0.00 -3.22 1.04 4.77 -1.20 -4.33 117.00 112.58 2aet n LEU 195 Ca 0.03 0.07 -0.24 0.00 -0.03 0.00 0.00 56.01 55.84 2aet n LEU 195 Cb 0.12 -0.07 -0.06 0.00 -2.33 0.00 0.00 43.42 41.08 2aet n LEU 195 CO 0.10 -0.01 -0.08 0.79 -1.33 0.00 0.00 177.39 176.85 2aet n TRP 196 N -1.07 1.86 -1.72 -1.77 7.02 -0.97 -5.02 117.44 115.77 2aet n TRP 196 Ca 0.17 -3.88 -0.40 0.00 -1.02 0.00 0.00 57.50 52.38 2aet n TRP 196 Cb 0.11 -0.46 0.03 0.00 -2.42 0.00 0.00 31.31 28.58 2aet n TRP 196 CO 0.00 0.00 0.00 -0.35 -2.02 0.00 0.00 177.69 175.32 2aet n PRO 197 N 0.71 1.81 0.30 -0.99 -0.04 -1.26 -4.71 135.00 130.82 2aet n PRO 197 Ca 0.26 0.65 0.20 0.00 -0.04 0.00 0.00 63.50 64.57 2aet n PRO 197 Cb 0.49 -2.47 0.94 0.00 -0.04 0.00 0.00 33.50 32.41 2aet n PRO 197 CO 0.00 0.00 0.00 1.57 -0.04 0.00 0.00 175.50 177.03 2aet h LYS 198 N 1.75 0.00 -0.23 0.54 2.10 -1.34 0.75 116.57 120.14 2aet h LYS 198 Ca -0.49 0.00 -0.09 0.00 -2.00 0.00 0.00 60.65 58.07 2aet h LYS 198 Cb 1.30 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.62 2aet h LYS 198 CO 0.58 0.01 -0.24 1.49 -2.00 0.00 0.00 179.45 179.29 2aet h GLU 199 N 0.00 0.43 0.00 0.07 4.81 -1.90 -3.31 114.58 114.69 2aet h GLU 199 Ca -0.00 -0.16 -0.29 0.00 -0.13 0.00 0.00 59.36 58.78 2aet h GLU 199 Cb 0.27 -0.03 -0.05 0.00 0.63 0.00 0.00 28.75 29.56 2aet h GLU 199 CO 0.00 0.65 -2.12 1.04 -0.73 0.00 0.00 179.01 177.86 2aet n GLN 200 N -4.13 1.29 -4.32 1.92 3.00 -0.81 -5.02 117.38 109.31 2aet n GLN 200 Ca -0.00 -0.01 -0.22 0.00 -0.01 0.00 0.00 57.00 56.76 2aet n GLN 200 Cb 0.39 -1.42 -0.13 0.00 0.00 0.00 0.00 30.24 29.08 2aet n GLN 200 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.06 177.00 2aet s PHE 201 N -2.42 1.49 -0.39 1.08 0.40 0.19 -5.04 117.98 113.29 2aet s PHE 201 Ca -0.08 -0.41 -0.16 0.00 -0.60 0.00 0.00 56.93 55.68 2aet s PHE 201 Cb 0.05 -0.85 0.01 0.00 0.51 0.00 0.00 43.02 42.74 2aet s PHE 201 CO 0.67 0.11 0.40 1.21 0.70 0.00 0.00 175.22 178.31 2aet s ASN 202 N -1.58 6.18 0.55 1.36 3.84 -1.26 -4.15 114.94 119.88 2aet s ASN 202 Ca 0.03 -0.51 0.24 0.00 0.21 0.00 0.00 52.86 52.82 2aet s ASN 202 Cb -0.09 -2.21 1.46 0.00 -0.55 0.00 0.00 41.25 39.86 2aet s ASN 202 CO 0.03 -0.48 2.09 -0.08 -2.79 0.00 0.00 177.10 175.87 2aet h GLU 203 N 8.62 0.00 0.00 0.43 4.81 -1.92 -0.26 114.58 126.26 2aet h GLU 203 Ca -0.28 0.00 -0.22 0.00 -0.13 0.00 0.00 59.36 58.73 2aet h GLU 203 Cb 1.12 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 30.47 2aet h GLU 203 CO 0.75 0.00 -1.42 0.00 -0.73 0.00 0.00 179.01 177.61 2aet h ARG 204 N 0.00 0.00 0.08 1.92 3.08 -1.98 -2.41 114.38 115.06 2aet h ARG 204 Ca 0.11 0.00 -0.25 0.00 0.07 0.00 0.00 59.98 59.91 2aet h ARG 204 Cb 0.47 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.52 2aet h ARG 204 CO -0.00 0.48 -1.11 0.77 -1.07 0.00 0.00 179.97 179.04 2aet h SER 205 N 0.00 0.41 -0.26 7.04 0.02 -1.73 -3.32 113.55 115.73 2aet h SER 205 Ca -0.19 -0.40 -0.04 0.00 -0.84 0.00 0.00 61.79 60.33 2aet h SER 205 Cb 1.78 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 64.17 2aet h SER 205 CO 0.07 1.26 -0.01 0.18 -1.14 0.00 0.00 176.83 177.19 2aet n LEU 206 N -3.60 3.79 -0.27 5.07 4.77 -0.20 -4.77 117.00 121.79 2aet n LEU 206 Ca -0.07 -3.19 0.07 0.00 -0.03 0.00 0.00 56.01 52.79 2aet n LEU 206 Cb 0.94 -0.55 0.19 0.00 -2.33 0.00 0.00 43.42 41.67 2aet n LEU 206 CO 0.52 0.80 0.86 0.15 -1.33 0.00 0.00 177.39 178.39 2aet h PHE 207 N 1.43 0.07 -0.30 -1.77 3.57 -1.53 0.28 116.94 118.69 2aet h PHE 207 Ca 0.05 0.05 -0.05 0.00 3.53 0.00 0.00 57.97 61.55 2aet h PHE 207 Cb 1.45 0.09 -0.01 0.00 2.79 0.00 0.00 35.95 40.27 2aet h PHE 207 CO 0.56 -0.22 -0.02 -0.07 -2.23 0.00 0.00 178.31 176.33 2aet h LEU 208 N 0.14 0.54 -0.41 0.59 3.38 -1.87 0.23 115.31 117.90 2aet h LEU 208 Ca 0.44 -0.32 -0.12 0.00 0.09 0.00 0.00 57.88 57.97 2aet h LEU 208 Cb 0.81 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.40 2aet h LEU 208 CO -0.65 0.73 -0.21 1.05 0.09 0.00 0.00 178.44 179.46 2aet h GLU 209 N 0.33 0.87 -0.46 1.13 9.09 -1.67 0.80 114.58 124.68 2aet h GLU 209 Ca 0.08 -0.38 -0.04 0.00 0.05 0.00 0.00 59.36 59.07 2aet h GLU 209 Cb 0.47 -0.02 -0.02 0.00 -1.65 0.00 0.00 28.75 27.52 2aet h GLU 209 CO 0.02 1.03 0.14 0.82 0.05 0.00 0.00 179.01 181.07 2aet h ILE 210 N 0.69 1.22 -0.17 -1.06 2.04 -0.44 0.32 117.51 120.11 2aet h ILE 210 Ca 0.09 -0.75 -0.00 0.00 1.00 0.00 0.00 64.86 65.20 2aet h ILE 210 Cb 0.77 0.84 -0.01 0.00 -0.74 0.00 0.00 36.82 37.69 2aet h ILE 210 CO 0.06 0.27 0.10 0.74 0.00 0.00 0.00 178.15 179.32 2aet h THR 211 N 0.61 1.08 -0.27 -0.27 2.02 -0.39 -1.86 112.91 113.83 2aet h THR 211 Ca 0.15 -0.20 0.01 0.00 0.77 0.00 0.00 66.41 67.14 2aet h THR 211 Cb 0.27 0.91 -0.02 0.00 -1.74 0.00 0.00 68.15 67.57 2aet h THR 211 CO -0.00 0.07 0.17 0.28 0.37 0.00 0.00 175.52 176.41 2aet h SER 212 N 0.19 0.28 -0.65 4.18 0.02 -0.57 -2.50 113.55 114.50 2aet h SER 212 Ca 0.06 -0.00 0.07 0.00 -0.84 0.00 0.00 61.79 61.08 2aet h SER 212 Cb 0.03 -0.06 -0.06 0.00 0.14 0.00 0.00 62.40 62.45 2aet h SER 212 CO -0.01 0.20 0.34 0.00 -1.14 0.00 0.00 176.83 176.22 2aet h ALA 213 N 1.11 0.87 -0.62 3.77 0.00 -0.20 -0.57 119.26 123.62 2aet h ALA 213 Ca 0.10 0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.07 2aet h ALA 213 Cb -0.02 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.65 2aet h ALA 213 CO -0.04 -0.02 0.38 0.82 0.00 0.00 0.00 179.25 180.40 2aet h ILE 214 N 0.61 1.07 -0.25 0.00 2.04 -1.11 0.30 117.51 120.17 2aet h ILE 214 Ca 0.30 -0.26 -0.11 0.00 1.00 0.00 0.00 64.86 65.79 2aet h ILE 214 Cb 0.25 0.26 -0.01 0.00 -0.74 0.00 0.00 36.82 36.57 2aet h ILE 214 CO -0.22 0.14 -0.32 0.00 0.00 0.00 0.00 178.15 177.76 2aet h ALA 215 N 1.27 0.99 0.10 1.87 0.00 -0.90 -2.49 119.26 120.09 2aet h ALA 215 Ca 0.25 -0.39 -0.32 0.00 0.00 0.00 0.00 54.91 54.45 2aet h ALA 215 Cb 0.02 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 2aet h ALA 215 CO -0.10 0.60 -1.71 1.96 0.00 0.00 0.00 179.25 180.00 2aet h GLN 216 N 0.44 0.20 0.00 0.00 4.20 -0.75 -3.35 115.11 115.86 2aet h GLN 216 Ca 0.05 -0.35 -0.06 0.00 0.06 0.00 0.00 58.65 58.35 2aet h GLN 216 Cb 0.77 0.13 -0.01 0.00 0.30 0.00 0.00 27.48 28.67 2aet h GLN 216 CO 0.06 1.02 -0.29 1.98 -0.67 0.00 0.00 178.83 180.93 2aet h MET 217 N 0.06 0.00 -0.29 1.46 4.05 -0.48 -3.02 114.93 116.71 2aet h MET 217 Ca -0.31 0.00 0.05 0.00 -0.28 0.00 0.00 59.70 59.17 2aet h MET 217 Cb 2.02 0.00 -0.05 0.00 -0.80 0.00 0.00 31.60 32.77 2aet h MET 217 CO 0.12 0.29 -0.02 1.49 0.23 0.00 0.00 176.91 179.02 2aet h GLU 218 N 0.00 0.06 -0.06 0.39 4.81 -1.58 0.29 114.58 118.49 2aet h GLU 218 Ca -0.00 -0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 59.15 2aet h GLU 218 Cb 0.88 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.25 2aet h GLU 218 CO 0.04 0.04 -0.25 -0.91 -0.73 0.00 0.00 179.01 177.20 2aet h ASN 219 N 0.06 0.33 -0.32 1.04 2.35 -1.75 -2.74 115.58 114.55 2aet h ASN 219 Ca 0.14 -0.63 0.04 0.00 -0.55 0.00 0.00 56.30 55.30 2aet h ASN 219 Cb 0.19 -0.10 -0.04 0.00 0.05 0.00 0.00 38.32 38.43 2aet h ASN 219 CO -0.25 0.91 0.10 -0.25 -1.65 0.00 0.00 177.43 176.28 2aet h TRP 220 N -0.23 0.17 0.20 1.19 7.01 -1.39 0.35 115.95 123.25 2aet h TRP 220 Ca -0.01 0.02 0.01 0.00 2.11 0.00 0.00 58.89 61.01 2aet h TRP 220 Cb 0.89 -0.03 -0.02 0.00 -2.10 0.00 0.00 29.16 27.90 2aet h TRP 220 CO 0.13 0.06 -0.21 1.98 -2.79 0.00 0.00 178.44 177.61 2aet h MET 221 N 0.23 -0.44 -0.26 2.65 4.05 -0.48 -1.46 114.93 119.22 2aet h MET 221 Ca 0.15 0.03 -0.09 0.00 -0.28 0.00 0.00 59.70 59.51 2aet h MET 221 Cb 0.13 0.10 -0.01 0.00 -0.80 0.00 0.00 31.60 31.03 2aet h MET 221 CO -0.16 -0.29 -0.18 -0.39 0.23 0.00 0.00 176.91 176.12 2aet h VAL 222 N -0.45 1.31 -0.13 -5.77 -1.51 -1.28 -3.05 116.25 105.37 2aet h VAL 222 Ca 0.00 -1.31 0.01 0.00 -1.23 0.00 0.00 66.70 64.17 2aet h VAL 222 Cb 0.43 1.58 -0.01 0.00 -2.13 0.00 0.00 31.29 31.16 2aet h VAL 222 CO -0.06 0.41 0.07 -0.50 -1.23 0.00 0.00 177.57 176.25 2aet h TRP 223 N 0.31 0.13 -0.79 5.19 6.55 -0.92 -0.45 115.95 125.96 2aet h TRP 223 Ca 0.05 0.00 0.18 0.00 0.95 0.00 0.00 58.89 60.08 2aet h TRP 223 Cb 0.71 -0.04 -0.05 0.00 -0.86 0.00 0.00 29.16 28.93 2aet h TRP 223 CO 0.07 0.08 0.54 0.28 -1.05 0.00 0.00 178.44 178.35 2aet h VAL 224 N 0.15 0.72 0.11 1.49 2.07 -1.30 0.88 116.25 120.37 2aet h VAL 224 Ca 0.05 -0.10 -0.27 0.00 0.82 0.00 0.00 66.70 67.20 2aet h VAL 224 Cb 0.00 0.39 0.01 0.00 -1.52 0.00 0.00 31.29 30.18 2aet h VAL 224 CO -0.03 0.05 -1.19 -1.13 0.02 0.00 0.00 177.57 175.29 2aet h ASN 225 N 0.30 0.57 -0.28 0.57 -0.73 -1.17 -2.44 115.58 112.39 2aet h ASN 225 Ca 0.39 -0.55 0.00 0.00 1.87 0.00 0.00 56.30 58.01 2aet h ASN 225 Cb 1.09 -0.18 -0.01 0.00 0.27 0.00 0.00 38.32 39.49 2aet h ASN 225 CO -0.11 1.40 0.18 0.44 -0.37 0.00 0.00 177.43 178.98 2aet h ASP 226 N 0.15 0.32 0.00 1.15 3.32 0.71 0.36 116.42 122.43 2aet h ASP 226 Ca -0.14 -0.01 -0.00 0.00 0.02 0.00 0.00 57.03 56.90 2aet h ASP 226 Cb 1.88 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 41.35 2aet h ASP 226 CO 0.21 0.23 -0.00 0.25 -1.72 0.00 0.00 179.24 178.21 2aet h LEU 227 N 0.38 -0.00 -1.48 1.55 5.85 -1.21 -3.27 115.31 117.12 2aet h LEU 227 Ca 0.10 0.00 0.22 0.00 0.84 0.00 0.00 57.88 59.04 2aet h LEU 227 Cb -0.04 0.00 -0.07 0.00 0.37 0.00 0.00 40.66 40.92 2aet h LEU 227 CO -0.02 0.00 0.62 0.24 -0.34 0.00 0.00 178.44 178.94 2aet h MET 228 N -0.01 0.39 -1.04 1.25 2.86 -1.43 -0.53 114.93 116.42 2aet h MET 228 Ca -0.00 -0.02 -0.40 0.00 -2.06 0.00 0.00 59.70 57.21 2aet h MET 228 Cb 0.00 -0.09 -0.23 0.00 0.06 0.00 0.00 31.60 31.35 2aet h MET 228 CO 0.00 0.26 0.52 -1.13 1.06 0.00 0.00 176.91 177.61 2aet n SER 229 N -4.53 4.16 0.06 1.22 3.41 0.11 -4.23 113.62 113.82 2aet n SER 229 Ca 0.21 -3.23 -0.14 0.00 -0.26 0.00 0.00 58.87 55.45 2aet n SER 229 Cb 0.75 -0.80 -0.05 0.00 -0.26 0.00 0.00 64.21 63.86 2aet n SER 229 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 175.04 175.03 2aet h PHE 230 N 0.91 0.67 0.21 7.33 3.57 -1.14 -2.72 116.94 125.78 2aet h PHE 230 Ca 0.47 -0.36 -0.01 0.00 3.53 0.00 0.00 57.97 61.60 2aet h PHE 230 Cb 2.13 -0.08 0.00 0.00 2.79 0.00 0.00 35.95 40.79 2aet h PHE 230 CO 1.17 1.17 -0.10 -0.92 -2.23 0.00 0.00 178.31 177.40 2aet h TYR 231 N 0.27 -0.27 0.00 0.41 3.20 -1.81 0.21 116.97 118.98 2aet h TYR 231 Ca -0.08 -0.01 -0.03 0.00 3.14 0.00 0.00 58.73 61.76 2aet h TYR 231 Cb 1.56 0.09 -0.00 0.00 1.54 0.00 0.00 36.73 39.91 2aet h TYR 231 CO 0.06 -0.02 -0.13 -0.22 -1.64 0.00 0.00 178.16 176.22 2aet h LYS 232 N -0.49 0.00 0.00 1.82 3.11 -1.77 -3.23 116.57 116.01 2aet h LYS 232 Ca -0.03 0.00 -0.32 0.00 -2.81 0.00 0.00 60.65 57.49 2aet h LYS 232 Cb 0.37 0.00 -0.06 0.00 -1.00 0.00 0.00 32.23 31.54 2aet h LYS 232 CO 0.05 0.13 -2.05 0.39 -2.81 0.00 0.00 179.45 175.15 2aet n GLU 233 N -3.86 0.66 -0.31 1.90 1.02 -1.03 -4.14 120.64 114.89 2aet n GLU 233 Ca -0.02 0.12 0.08 0.00 -0.02 0.00 0.00 57.16 57.32 2aet n GLU 233 Cb 0.22 -1.65 0.18 0.00 -0.02 0.00 0.00 31.44 30.18 2aet n GLU 233 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 2aet h PHE 234 N 0.00 -0.23 0.03 -0.32 3.57 -0.97 -3.07 116.94 115.95 2aet h PHE 234 Ca -0.41 0.07 -0.37 0.00 3.53 0.00 0.00 57.97 60.79 2aet h PHE 234 Cb 2.08 0.24 -0.06 0.00 2.79 0.00 0.00 35.95 41.01 2aet h PHE 234 CO 0.00 -0.36 -2.31 -0.25 -2.23 0.00 0.00 178.31 173.16 2aet n ASP 235 N -5.48 1.54 -3.24 0.41 8.00 -1.26 -4.99 116.55 111.53 2aet n ASP 235 Ca 0.17 -0.00 -0.45 0.00 0.71 0.00 0.00 54.79 55.21 2aet n ASP 235 Cb 0.55 -0.20 -0.06 0.00 -0.02 0.00 0.00 41.12 41.39 2aet n ASP 235 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 2aet n ASP 236 N -3.19 0.55 -0.29 -2.24 -0.08 -1.16 -4.83 116.55 105.31 2aet n ASP 236 Ca -0.39 0.82 -0.04 0.00 -1.51 0.00 0.00 54.79 53.67 2aet n ASP 236 Cb 1.04 -0.62 0.10 0.00 2.34 0.00 0.00 41.12 43.98 2aet n ASP 236 CO 0.00 0.00 0.00 -0.33 0.12 0.00 0.00 177.20 176.99 2aet h GLU 237 N 3.00 1.19 0.04 -0.67 5.08 -1.94 -2.99 114.58 118.28 2aet h GLU 237 Ca -0.32 -0.17 -0.00 0.00 -1.00 0.00 0.00 59.36 57.86 2aet h GLU 237 Cb 0.97 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 30.00 2aet h GLU 237 CO 0.60 0.91 -0.02 0.00 -1.00 0.00 0.00 179.01 179.51 2aet h ARG 238 N 1.17 -0.05 -1.79 2.33 3.08 -1.96 -3.30 114.38 113.87 2aet h ARG 238 Ca 0.28 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.34 2aet h ARG 238 Cb 0.12 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.18 2aet h ARG 238 CO -0.04 0.55 0.00 -0.25 -1.07 0.00 0.00 179.97 179.16 2aet n ASP 239 N -4.73 1.70 0.21 7.04 8.00 -1.20 -3.67 116.55 123.88 2aet n ASP 239 Ca -0.07 -1.19 0.13 0.00 0.71 0.00 0.00 54.79 54.37 2aet n ASP 239 Cb 0.30 -0.33 0.25 0.00 -0.02 0.00 0.00 41.12 41.32 2aet n ASP 239 CO 0.00 0.00 0.00 -0.61 -0.39 0.00 0.00 177.20 176.20 2aet h GLN 240 N 1.95 0.00 -5.12 -1.24 5.75 -1.61 -3.42 115.11 111.41 2aet h GLN 240 Ca 0.00 0.00 -0.63 0.00 -0.15 0.00 0.00 58.65 57.87 2aet h GLN 240 Cb 0.41 0.00 -0.18 0.00 1.07 0.00 0.00 27.48 28.78 2aet h GLN 240 CO 0.00 0.00 -0.58 0.42 -2.65 0.00 0.00 178.83 176.02 2aet s ILE 241 N -3.23 4.72 -0.00 2.39 -1.09 -1.24 -4.88 121.20 117.86 2aet s ILE 241 Ca 0.07 -0.05 -0.28 0.00 -2.23 0.00 0.00 60.65 58.16 2aet s ILE 241 Cb 0.07 -3.17 0.07 0.00 -1.58 0.00 0.00 42.46 37.84 2aet s ILE 241 CO 0.64 0.39 0.64 -0.94 -1.23 0.00 0.00 174.94 174.45 2aet s SER 242 N 0.95 -0.61 0.30 3.58 1.04 -1.26 -5.00 113.70 112.69 2aet s SER 242 Ca 0.04 0.53 0.01 0.00 0.48 0.00 0.00 55.95 57.01 2aet s SER 242 Cb -0.14 0.54 0.72 0.00 0.10 0.00 0.00 66.02 67.24 2aet s SER 242 CO 0.03 -0.68 1.54 -0.11 0.98 0.00 0.00 173.24 175.00 2aet n LEU 243 N 0.64 -0.14 -0.08 2.42 7.94 -1.26 0.20 117.00 126.72 2aet n LEU 243 Ca -0.19 1.68 -0.11 0.00 -1.11 0.00 0.00 56.01 56.28 2aet n LEU 243 Cb 0.59 -0.60 -0.05 0.00 0.53 0.00 0.00 43.42 43.89 2aet n LEU 243 CO 0.21 -1.69 0.77 0.58 -1.11 0.00 0.00 177.39 176.16 2aet h VAL 244 N 0.00 1.25 0.00 1.96 2.07 -1.94 0.21 116.25 119.79 2aet h VAL 244 Ca 0.58 -0.84 -0.02 0.00 0.82 0.00 0.00 66.70 67.24 2aet h VAL 244 Cb 1.18 1.36 -0.00 0.00 -1.52 0.00 0.00 31.29 32.30 2aet h VAL 244 CO -0.94 0.26 -0.12 0.11 0.02 0.00 0.00 177.57 176.91 2aet h LYS 245 N 0.17 0.00 0.00 1.57 1.57 -1.04 -2.72 116.57 116.12 2aet h LYS 245 Ca 0.07 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.77 2aet h LYS 245 Cb 0.38 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.67 2aet h LYS 245 CO 0.01 0.12 -0.88 -0.91 -0.57 0.00 0.00 179.45 177.22 2aet h ASN 246 N 0.00 0.00 -0.36 0.86 2.35 -0.10 -3.01 115.58 115.32 2aet h ASN 246 Ca -0.00 0.00 -0.09 0.00 -0.55 0.00 0.00 56.30 55.66 2aet h ASN 246 Cb 0.75 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.11 2aet h ASN 246 CO 0.02 0.29 -0.12 1.88 -1.65 0.00 0.00 177.43 177.85 2aet h TYR 247 N 0.00 0.82 0.60 1.19 0.05 -0.65 -0.01 116.97 118.96 2aet h TYR 247 Ca -0.05 -0.19 -0.02 0.00 0.05 0.00 0.00 58.73 58.52 2aet h TYR 247 Cb 1.27 -0.20 -0.02 0.00 1.01 0.00 0.00 36.73 38.80 2aet h TYR 247 CO 0.00 0.89 -0.50 0.28 -1.05 0.00 0.00 178.16 177.77 2aet h VAL 248 N 0.52 0.00 0.68 -2.88 2.07 -1.52 0.31 116.25 115.42 2aet h VAL 248 Ca 0.09 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.58 2aet h VAL 248 Cb 0.64 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.41 2aet h VAL 248 CO 0.04 0.00 -0.37 0.58 0.02 0.00 0.00 177.57 177.84 2aet h VAL 249 N -1.07 0.24 0.15 2.57 2.07 -1.54 -0.92 116.25 117.74 2aet h VAL 249 Ca -0.08 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.44 2aet h VAL 249 Cb 0.91 0.24 0.00 0.00 -1.52 0.00 0.00 31.29 30.92 2aet h VAL 249 CO -0.01 0.00 -0.07 0.28 0.02 0.00 0.00 177.57 177.79 2aet h SER 250 N -0.98 -0.17 0.36 0.57 0.02 -1.01 -3.19 113.55 109.15 2aet h SER 250 Ca -0.09 -0.23 0.00 0.00 -0.84 0.00 0.00 61.79 60.63 2aet h SER 250 Cb 0.77 0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.36 2aet h SER 250 CO 0.12 0.14 -0.05 0.47 -1.14 0.00 0.00 176.83 176.37 2aet n ASP 251 N -5.04 0.27 -3.43 3.07 8.00 0.11 -0.46 116.55 119.07 2aet n ASP 251 Ca -0.09 -0.54 -0.14 0.00 0.71 0.00 0.00 54.79 54.74 2aet n ASP 251 Cb 0.21 -0.13 0.01 0.00 -0.02 0.00 0.00 41.12 41.19 2aet n ASP 251 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2aet n GLU 252 N -1.03 -1.41 -4.15 -1.24 1.02 -0.37 -4.93 120.64 108.53 2aet n GLU 252 Ca 0.16 1.08 -0.13 0.00 -0.02 0.00 0.00 57.16 58.24 2aet n GLU 252 Cb 0.24 -4.18 -0.07 0.00 -0.02 0.00 0.00 31.44 27.40 2aet n GLU 252 CO 0.00 0.00 0.00 0.96 1.18 0.00 0.00 177.13 179.27 2aet s ILE 253 N -3.05 0.00 0.39 -3.67 -4.36 -1.07 -5.06 121.20 104.37 2aet s ILE 253 Ca 0.06 -1.79 -0.20 0.00 -0.26 0.00 0.00 60.65 58.46 2aet s ILE 253 Cb -0.02 -2.47 -0.10 0.00 1.25 0.00 0.00 42.46 41.11 2aet s ILE 253 CO 0.82 0.00 0.89 -0.94 0.24 0.00 0.00 174.94 175.95 2aet s SER 254 N -3.19 6.94 0.64 4.36 1.04 -1.26 -4.54 113.70 117.69 2aet s SER 254 Ca 0.34 1.59 0.24 0.00 0.48 0.00 0.00 55.95 58.60 2aet s SER 254 Cb 0.03 -2.50 1.24 0.00 0.10 0.00 0.00 66.02 64.89 2aet s SER 254 CO 0.16 -0.28 1.69 0.25 0.98 0.00 0.00 173.24 176.04 2aet h LEU 255 N 2.15 0.00 0.06 2.42 5.85 -1.97 0.56 115.31 124.39 2aet h LEU 255 Ca -0.48 0.00 -0.14 0.00 0.84 0.00 0.00 57.88 58.09 2aet h LEU 255 Cb 1.18 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.21 2aet h LEU 255 CO 0.63 0.00 -0.70 -0.74 -0.34 0.00 0.00 178.44 177.28 2aet h HIS 256 N 0.00 0.25 -0.25 1.25 2.76 -1.99 -2.82 115.15 114.36 2aet h HIS 256 Ca 0.09 -0.18 0.06 0.00 -2.20 0.00 0.00 60.37 58.14 2aet h HIS 256 Cb 1.22 -0.01 -0.06 0.00 1.55 0.00 0.00 27.41 30.12 2aet h HIS 256 CO 0.00 1.27 -0.11 0.93 -1.30 0.00 0.00 177.93 178.72 2aet h GLU 257 N -0.68 -0.07 -0.61 5.26 5.08 -1.28 -0.55 114.58 121.73 2aet h GLU 257 Ca -0.15 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.20 2aet h GLU 257 Cb 1.39 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 30.62 2aet h GLU 257 CO 0.03 -0.05 0.34 0.00 -1.00 0.00 0.00 179.01 178.33 2aet h ALA 258 N 1.14 0.78 -0.14 3.43 0.00 -1.56 -0.17 119.26 122.73 2aet h ALA 258 Ca 0.13 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 2aet h ALA 258 Cb 0.27 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 2aet h ALA 258 CO -0.30 0.30 0.01 1.25 0.00 0.00 0.00 179.25 180.51 2aet h LEU 259 N 0.83 0.18 -0.21 0.00 7.12 -1.17 -0.52 115.31 121.54 2aet h LEU 259 Ca 0.22 -0.02 -0.22 0.00 0.13 0.00 0.00 57.88 57.99 2aet h LEU 259 Cb 0.04 -0.05 0.00 0.00 -0.53 0.00 0.00 40.66 40.12 2aet h LEU 259 CO -0.04 0.21 -0.89 -0.08 -0.13 0.00 0.00 178.44 177.51 2aet h GLU 260 N 0.20 0.46 -0.01 1.25 4.57 -0.32 -2.89 114.58 117.85 2aet h GLU 260 Ca 0.05 -0.46 -0.00 0.00 -1.18 0.00 0.00 59.36 57.77 2aet h GLU 260 Cb 0.12 0.12 -0.00 0.00 -0.16 0.00 0.00 28.75 28.84 2aet h GLU 260 CO 0.00 1.11 0.00 -0.22 -1.18 0.00 0.00 179.01 178.72 2aet h LYS 261 N 0.28 0.01 -0.69 1.92 3.64 0.15 -1.26 116.57 120.63 2aet h LYS 261 Ca -0.07 -0.00 0.10 0.00 -1.27 0.00 0.00 60.65 59.41 2aet h LYS 261 Cb 1.52 -0.00 -0.08 0.00 -0.41 0.00 0.00 32.23 33.26 2aet h LYS 261 CO 0.16 0.15 0.31 1.25 -2.27 0.00 0.00 179.45 179.05 2aet h LEU 262 N -0.13 0.37 -0.88 5.20 5.85 -1.18 -0.46 115.31 124.08 2aet h LEU 262 Ca 0.00 0.07 -0.10 0.00 0.84 0.00 0.00 57.88 58.70 2aet h LEU 262 Cb 0.14 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.18 2aet h LEU 262 CO -0.00 0.20 -0.26 0.71 -0.34 0.00 0.00 178.44 178.75 2aet h THR 263 N 0.52 1.27 -0.02 1.05 1.35 -1.28 0.12 112.91 115.93 2aet h THR 263 Ca 0.35 -1.30 -0.00 0.00 -0.55 0.00 0.00 66.41 64.91 2aet h THR 263 Cb 0.42 1.34 -0.00 0.00 -1.73 0.00 0.00 68.15 68.18 2aet h THR 263 CO -0.30 0.42 0.00 1.56 -0.25 0.00 0.00 175.52 176.95 2aet h GLN 264 N 0.46 0.03 -0.27 4.72 4.20 -0.10 0.24 115.11 124.40 2aet h GLN 264 Ca 0.07 -0.01 0.02 0.00 0.06 0.00 0.00 58.65 58.79 2aet h GLN 264 Cb 0.70 -0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.45 2aet h GLN 264 CO 0.05 0.27 0.13 -0.44 -0.67 0.00 0.00 178.83 178.18 2aet h ASP 265 N -0.22 0.20 -0.56 1.46 3.32 -0.98 -0.06 116.42 119.58 2aet h ASP 265 Ca 0.01 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.07 2aet h ASP 265 Cb 0.26 -0.03 -0.03 0.00 0.22 0.00 0.00 39.33 39.75 2aet h ASP 265 CO 0.00 0.15 0.36 0.74 -1.72 0.00 0.00 179.24 178.77 2aet h THR 266 N 0.28 1.15 -0.45 0.35 2.02 -0.62 0.22 112.91 115.86 2aet h THR 266 Ca 0.11 -0.30 -0.01 0.00 0.77 0.00 0.00 66.41 66.98 2aet h THR 266 Cb 0.03 0.35 -0.02 0.00 -1.74 0.00 0.00 68.15 66.77 2aet h THR 266 CO -0.08 0.15 0.26 -0.07 0.37 0.00 0.00 175.52 176.15 2aet h LEU 267 N 0.76 0.55 0.19 2.58 3.38 -0.20 -0.85 115.31 121.72 2aet h LEU 267 Ca 0.20 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 2aet h LEU 267 Cb -0.06 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.55 2aet h LEU 267 CO -0.04 0.46 -0.09 -0.74 0.09 0.00 0.00 178.44 178.12 2aet h HIS 268 N 0.60 -0.23 -0.92 1.13 2.76 -0.51 0.13 115.15 118.11 2aet h HIS 268 Ca 0.16 -0.01 0.11 0.00 -2.20 0.00 0.00 60.37 58.43 2aet h HIS 268 Cb 0.02 0.08 -0.07 0.00 1.55 0.00 0.00 27.41 28.99 2aet h HIS 268 CO -0.03 -0.10 0.59 1.03 -1.30 0.00 0.00 177.93 178.12 2aet h SER 269 N -0.30 0.81 -0.38 3.26 0.87 -0.47 0.27 113.55 117.60 2aet h SER 269 Ca -0.03 0.03 -0.05 0.00 -1.23 0.00 0.00 61.79 60.51 2aet h SER 269 Cb 0.23 -0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 62.04 2aet h SER 269 CO 0.04 0.46 0.05 0.28 -0.53 0.00 0.00 176.83 177.13 2aet h SER 270 N 0.89 0.63 -0.03 6.23 0.02 -0.70 -2.25 113.55 118.34 2aet h SER 270 Ca 0.43 -0.27 -0.00 0.00 -0.84 0.00 0.00 61.79 61.11 2aet h SER 270 Cb 0.46 -0.17 -0.00 0.00 0.14 0.00 0.00 62.40 62.83 2aet h SER 270 CO -0.20 0.74 0.01 0.50 -1.14 0.00 0.00 176.83 176.75 2aet h LYS 271 N 0.49 0.04 0.00 3.45 3.64 0.77 -3.04 116.57 121.93 2aet h LYS 271 Ca 0.11 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.47 2aet h LYS 271 Cb 0.39 -0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.20 2aet h LYS 271 CO 0.01 0.16 -0.09 1.96 -2.27 0.00 0.00 179.45 179.22 2aet h GLN 272 N -0.08 0.00 -0.64 1.90 1.08 -1.01 -2.00 115.11 114.36 2aet h GLN 272 Ca 0.01 0.00 -0.06 0.00 -1.45 0.00 0.00 58.65 57.16 2aet h GLN 272 Cb 0.13 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 27.53 2aet h GLN 272 CO -0.00 0.09 0.18 0.52 -0.95 0.00 0.00 178.83 178.66 2aet h MET 273 N 0.00 0.99 0.06 1.46 2.86 -1.28 -1.82 114.93 117.20 2aet h MET 273 Ca -0.00 -0.21 -0.00 0.00 -2.06 0.00 0.00 59.70 57.43 2aet h MET 273 Cb 0.39 -0.15 0.00 0.00 0.06 0.00 0.00 31.60 31.91 2aet h MET 273 CO 0.01 0.86 -0.03 0.28 1.06 0.00 0.00 176.91 179.10 2aet h VAL 274 N 0.95 1.09 -0.74 -2.22 2.07 -1.42 -2.61 116.25 113.38 2aet h VAL 274 Ca 0.21 -1.56 0.16 0.00 0.82 0.00 0.00 66.70 66.34 2aet h VAL 274 Cb 0.30 1.96 -0.13 0.00 -1.52 0.00 0.00 31.29 31.90 2aet h VAL 274 CO -0.00 0.33 -0.06 0.00 0.02 0.00 0.00 177.57 177.86 2aet h ALA 275 N -0.25 0.68 -0.15 1.67 0.00 -1.35 -1.16 119.26 118.70 2aet h ALA 275 Ca -0.01 0.26 -0.12 0.00 0.00 0.00 0.00 54.91 55.04 2aet h ALA 275 Cb 0.61 0.47 0.00 0.00 0.00 0.00 0.00 17.79 18.86 2aet h ALA 275 CO 0.01 -0.42 -0.36 0.28 0.00 0.00 0.00 179.25 178.76 2aet h VAL 276 N 0.06 1.36 -0.02 0.00 2.07 -1.43 -3.37 116.25 114.92 2aet h VAL 276 Ca 0.39 -1.63 0.00 0.00 0.82 0.00 0.00 66.70 66.28 2aet h VAL 276 Cb 0.66 2.01 0.00 0.00 -1.52 0.00 0.00 31.29 32.44 2aet h VAL 276 CO -0.69 0.49 -0.12 0.49 0.02 0.00 0.00 177.57 177.76 2aet n PHE 277 N -4.33 0.00 0.35 1.57 3.72 -0.98 -4.43 117.46 113.36 2aet n PHE 277 Ca -0.07 0.00 -0.19 0.00 -0.05 0.00 0.00 57.45 57.14 2aet n PHE 277 Cb 0.51 -0.01 -0.10 0.00 -0.94 0.00 0.00 39.48 38.94 2aet n PHE 277 CO 0.00 0.00 0.00 0.77 -0.05 0.00 0.00 176.76 177.48 2aet h SER 278 N 3.60 -1.33 0.00 4.37 0.02 -1.39 -2.80 113.55 116.02 2aet h SER 278 Ca 0.00 0.09 0.00 0.00 -0.84 0.00 0.00 61.79 61.04 2aet h SER 278 Cb 0.83 0.42 0.00 0.00 0.14 0.00 0.00 62.40 63.79 2aet h SER 278 CO 0.00 -0.71 0.00 -0.90 -1.14 0.00 0.00 176.83 174.08 2aet n ASP 279 N -5.59 0.00 -4.46 3.07 5.75 -1.26 -4.87 116.55 109.18 2aet n ASP 279 Ca -0.13 -1.29 -0.26 0.00 -0.01 0.00 0.00 54.79 53.10 2aet n ASP 279 Cb 0.48 0.00 0.14 0.00 -1.03 0.00 0.00 41.12 40.71 2aet n ASP 279 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 2aet s LYS 280 N -2.00 1.26 -0.48 0.11 3.01 -1.06 -4.94 119.74 115.64 2aet s LYS 280 Ca 0.32 -0.84 -0.46 0.00 -1.01 0.00 0.00 55.97 53.98 2aet s LYS 280 Cb 0.15 -2.14 -0.20 0.00 -1.01 0.00 0.00 37.83 34.63 2aet s LYS 280 CO 0.25 -1.84 1.63 -3.47 0.51 0.00 0.00 175.35 172.43 2aet n ASP 281 N -3.21 1.29 -0.34 2.83 -0.08 -1.26 -4.74 116.55 111.04 2aet n ASP 281 Ca 0.15 1.17 0.05 0.00 -1.51 0.00 0.00 54.79 54.64 2aet n ASP 281 Cb 0.60 -0.90 0.20 0.00 2.34 0.00 0.00 41.12 43.36 2aet n ASP 281 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 2aet h PRO 282 N 5.28 0.95 -0.95 -0.67 0.13 -1.92 -0.63 132.00 134.19 2aet h PRO 282 Ca -0.43 -0.06 0.12 0.00 -0.87 0.00 0.00 66.00 64.76 2aet h PRO 282 Cb 1.37 -0.21 -0.07 0.00 0.13 0.00 0.00 31.00 32.21 2aet h PRO 282 CO 0.98 0.63 0.60 0.37 -0.23 0.00 0.00 178.00 180.35 2aet h GLN 283 N 0.97 0.88 -0.07 0.86 4.15 -2.00 0.31 115.11 120.22 2aet h GLN 283 Ca 0.45 -0.05 -0.10 0.00 0.77 0.00 0.00 58.65 59.71 2aet h GLN 283 Cb 0.37 -0.20 0.00 0.00 0.21 0.00 0.00 27.48 27.86 2aet h GLN 283 CO -0.24 0.58 -0.35 0.28 -1.93 0.00 0.00 178.83 177.17 2aet h VAL 284 N 0.91 1.42 -0.83 2.39 2.07 -1.52 -3.04 116.25 117.64 2aet h VAL 284 Ca 0.46 -1.76 0.03 0.00 0.82 0.00 0.00 66.70 66.24 2aet h VAL 284 Cb 0.50 2.34 -0.05 0.00 -1.52 0.00 0.00 31.29 32.56 2aet h VAL 284 CO -0.22 0.51 0.54 -0.03 0.02 0.00 0.00 177.57 178.39 2aet h MET 285 N -0.13 1.03 0.08 1.57 1.85 -0.52 -2.10 114.93 116.73 2aet h MET 285 Ca -0.02 -0.06 0.01 0.00 -0.61 0.00 0.00 59.70 59.01 2aet h MET 285 Cb 1.01 -0.23 -0.02 0.00 0.43 0.00 0.00 31.60 32.79 2aet h MET 285 CO 0.07 0.68 -0.12 0.22 -0.40 0.00 0.00 176.91 177.36 2aet h ASP 286 N 1.06 -0.34 -0.02 1.39 3.58 -1.00 0.13 116.42 121.23 2aet h ASP 286 Ca 0.32 0.04 0.03 0.00 0.42 0.00 0.00 57.03 57.84 2aet h ASP 286 Cb -0.03 0.13 -0.04 0.00 1.72 0.00 0.00 39.33 41.11 2aet h ASP 286 CO -0.10 -0.19 -0.18 0.74 -2.88 0.00 0.00 179.24 176.64 2aet h THR 287 N -0.25 0.57 -0.48 2.25 2.02 -1.37 0.35 112.91 115.99 2aet h THR 287 Ca 0.02 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.26 2aet h THR 287 Cb 0.26 0.57 -0.05 0.00 -1.74 0.00 0.00 68.15 67.19 2aet h THR 287 CO -0.06 0.00 0.19 0.40 0.37 0.00 0.00 175.52 176.42 2aet h ILE 288 N -0.28 0.87 -0.15 3.11 2.04 -1.25 -0.11 117.51 121.74 2aet h ILE 288 Ca 0.06 -0.13 -0.01 0.00 1.00 0.00 0.00 64.86 65.79 2aet h ILE 288 Cb 0.36 0.46 -0.01 0.00 -0.74 0.00 0.00 36.82 36.89 2aet h ILE 288 CO -0.18 0.07 0.07 -0.08 0.00 0.00 0.00 178.15 178.03 2aet h GLU 289 N 0.38 0.22 -0.50 2.37 4.81 -0.13 -1.28 114.58 120.45 2aet h GLU 289 Ca 0.22 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.39 2aet h GLU 289 Cb 0.21 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.52 2aet h GLU 289 CO -0.21 0.27 0.18 0.00 -0.73 0.00 0.00 179.01 178.51 2aet h PHE 291 N 0.72 0.52 0.70 0.00 3.57 -0.70 -1.78 116.94 119.96 2aet h PHE 291 Ca 0.17 -0.09 -0.03 0.00 3.53 0.00 0.00 57.97 61.55 2aet h PHE 291 Cb 0.18 -0.13 -0.00 0.00 2.79 0.00 0.00 35.95 38.79 2aet h PHE 291 CO 0.01 0.64 -0.40 0.52 -2.23 0.00 0.00 178.31 176.85 2aet h MET 292 N 0.25 -0.99 -0.10 1.11 2.86 -1.00 0.22 114.93 117.28 2aet h MET 292 Ca 0.07 0.07 -0.01 0.00 -2.06 0.00 0.00 59.70 57.77 2aet h MET 292 Cb 0.44 0.22 -0.00 0.00 0.06 0.00 0.00 31.60 32.32 2aet h MET 292 CO 0.02 -0.66 0.04 0.45 1.06 0.00 0.00 176.91 177.81 2aet h HIS 293 N -1.03 0.16 -0.99 -0.22 3.86 -1.57 -2.25 115.15 113.11 2aet h HIS 293 Ca -0.09 -0.01 0.11 0.00 -1.16 0.00 0.00 60.37 59.21 2aet h HIS 293 Cb 0.82 -0.05 -0.08 0.00 1.06 0.00 0.00 27.41 29.16 2aet h HIS 293 CO -0.08 0.27 0.63 0.78 0.86 0.00 0.00 177.93 180.39 2aet h GLY 294 N -0.01 1.57 1.46 2.45 0.00 -1.31 0.13 103.07 107.36 2aet h GLY 294 Ca 0.03 -0.43 -0.04 0.00 0.00 0.00 0.00 47.33 46.90 2aet h GLY 294 CO -0.00 0.20 0.13 -1.82 0.00 0.00 0.00 176.54 175.05 2aet h TYR 295 N 1.01 0.70 0.02 5.60 3.20 -0.29 -1.02 116.97 126.19 2aet h TYR 295 Ca 0.47 -0.05 -0.23 0.00 3.14 0.00 0.00 58.73 62.07 2aet h TYR 295 Cb 0.42 -0.21 0.00 0.00 1.54 0.00 0.00 36.73 38.48 2aet h TYR 295 CO -0.00 0.59 -0.97 0.28 -1.64 0.00 0.00 178.16 176.41 2aet h VAL 296 N 0.68 1.42 -0.37 1.81 2.07 -0.36 -3.00 116.25 118.49 2aet h VAL 296 Ca 0.16 -2.52 0.05 0.00 0.82 0.00 0.00 66.70 65.20 2aet h VAL 296 Cb 0.22 2.48 -0.04 0.00 -1.52 0.00 0.00 31.29 32.43 2aet h VAL 296 CO -0.01 0.75 0.10 0.74 0.02 0.00 0.00 177.57 179.17 2aet h THR 297 N 0.21 0.85 -0.80 2.57 2.02 -0.04 -1.69 112.91 116.04 2aet h THR 297 Ca -0.08 -0.08 -0.02 0.00 0.77 0.00 0.00 66.41 66.99 2aet h THR 297 Cb 1.62 0.60 -0.04 0.00 -1.74 0.00 0.00 68.15 68.59 2aet h THR 297 CO 0.17 0.04 0.40 -0.25 0.37 0.00 0.00 175.52 176.25 2aet h TRP 298 N 0.24 1.13 -0.72 3.16 7.01 -1.24 -2.57 115.95 122.95 2aet h TRP 298 Ca 0.17 -0.04 -0.05 0.00 2.11 0.00 0.00 58.89 61.08 2aet h TRP 298 Cb 0.17 -0.35 -0.03 0.00 -2.10 0.00 0.00 29.16 26.85 2aet h TRP 298 CO -0.17 0.81 0.25 0.45 -2.79 0.00 0.00 178.44 176.99 2aet h HIS 299 N 1.12 1.12 0.00 2.65 3.86 -1.30 -0.28 115.15 122.32 2aet h HIS 299 Ca 0.28 -0.09 0.00 0.00 -1.16 0.00 0.00 60.37 59.39 2aet h HIS 299 Cb 0.09 -0.33 0.00 0.00 1.06 0.00 0.00 27.41 28.22 2aet h HIS 299 CO 0.01 0.87 0.00 1.28 0.86 0.00 0.00 177.93 180.95 2aet n LEU 300 N -4.27 0.00 -0.01 2.43 4.77 -0.68 -4.29 117.00 114.95 2aet n LEU 300 Ca 0.06 0.30 -0.03 0.00 -0.03 0.00 0.00 56.01 56.31 2aet n LEU 300 Cb 0.21 -0.30 -0.01 0.00 -2.33 0.00 0.00 43.42 40.99 2aet n LEU 300 CO 0.41 -0.03 -0.59 0.00 -1.33 0.00 0.00 177.39 175.84 2aet n ASP 302 N -2.93 0.82 0.00 0.00 -0.08 -0.16 -4.92 116.55 109.28 2aet n ASP 302 Ca -0.05 0.91 0.00 0.00 -1.51 0.00 0.00 54.79 54.14 2aet n ASP 302 Cb 0.54 -1.35 0.00 0.00 2.34 0.00 0.00 41.12 42.65 2aet n ASP 302 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 2aet n ARG 303 N -0.34 0.00 0.00 -0.67 1.74 -1.26 -3.45 116.66 112.68 2aet n ARG 303 Ca 0.11 0.59 0.00 0.00 -0.77 0.00 0.00 57.85 57.78 2aet n ARG 303 Cb 0.43 -1.45 0.00 0.00 -1.02 0.00 0.00 32.46 30.42 2aet n ARG 303 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 2aet n LYS 304 N -2.12 0.00 -0.21 5.56 4.81 -1.26 0.29 118.16 125.23 2aet n LYS 304 Ca 0.00 0.00 0.08 0.00 -0.87 0.00 0.00 58.31 57.52 2aet n LYS 304 Cb 0.00 0.00 0.23 0.00 0.02 0.00 0.00 35.03 35.28 2aet n LYS 304 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 2aet n TYR 305 N -2.56 0.56 -2.73 5.64 4.01 -1.22 -4.81 117.16 116.05 2aet n TYR 305 Ca 0.00 -0.28 -0.08 0.00 -0.16 0.00 0.00 57.90 57.38 2aet n TYR 305 Cb 0.00 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.01 2aet n TYR 305 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 2aet n ARG 306 N 0.81 -0.97 0.00 -0.72 3.00 0.85 -4.41 116.66 115.23 2aet n ARG 306 Ca 0.16 0.02 0.14 0.00 -0.01 0.00 0.00 57.85 58.16 2aet n ARG 306 Cb 0.39 -0.90 0.81 0.00 0.00 0.00 0.00 32.46 32.76 2aet n ARG 306 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 2aet n LEU 307 N -1.69 0.00 -0.06 0.55 4.77 -1.26 -3.03 117.00 116.28 2aet n LEU 307 Ca -0.05 0.00 -0.18 0.00 -0.03 0.00 0.00 56.01 55.76 2aet n LEU 307 Cb 0.15 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.11 2aet n LEU 307 CO 0.20 0.00 0.02 0.77 -1.33 0.00 0.00 177.39 177.05 2aet h SER 308 N 0.00 0.09 0.00 -1.43 4.64 -1.90 -3.06 113.55 111.90 2aet h SER 308 Ca 0.00 -0.85 0.00 0.00 -0.47 0.00 0.00 61.79 60.47 2aet h SER 308 Cb 0.00 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.06 2aet h SER 308 CO 0.00 1.24 0.39 -0.33 -0.87 0.00 0.00 176.83 177.27 2aet h GLU 309 N -0.85 0.00 -0.00 4.77 5.08 -1.92 0.57 114.58 122.22 2aet h GLU 309 Ca -0.14 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.22 2aet h GLU 309 Cb 1.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.49 2aet h GLU 309 CO -0.03 0.00 -0.87 -0.89 -1.00 0.00 0.00 179.01 176.22 2aet n ILE 310 N -2.85 0.00 0.23 3.13 5.41 -1.23 -3.58 119.36 120.47 2aet n ILE 310 Ca -0.02 -0.07 0.12 0.00 1.00 0.00 0.00 62.75 63.78 2aet n ILE 310 Cb 0.44 1.03 0.02 0.00 -0.71 0.00 0.00 39.64 40.42 2aet n ILE 310 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2aet n TYR 311 N -1.29 0.76 0.64 1.39 9.36 0.19 -3.68 117.16 124.53 2aet n TYR 311 Ca 0.04 0.22 0.12 0.00 3.32 0.00 0.00 57.90 61.60 2aet n TYR 311 Cb 0.32 -0.82 0.15 0.00 -0.63 0.00 0.00 39.34 38.37 2aet n TYR 311 CO 0.00 0.00 0.00 0.39 0.22 0.00 0.00 176.86 177.47 2aet n GLU 312 N -2.47 0.24 0.00 2.98 -0.58 -0.49 -1.61 120.64 118.71 2aet n GLU 312 Ca 0.01 0.05 0.12 0.00 -0.42 0.00 0.00 57.16 56.91 2aet n GLU 312 Cb 0.52 -1.63 0.09 0.00 -0.57 0.00 0.00 31.44 29.85 2aet n GLU 312 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 2aet n LYS 313 N -1.97 2.15 0.00 3.49 3.00 -1.23 -4.40 118.16 119.19 2aet n LYS 313 Ca 0.03 -1.82 0.00 0.00 -0.00 0.00 0.00 58.31 56.52 2aet n LYS 313 Cb 0.42 -1.44 0.00 0.00 0.00 0.00 0.00 35.03 34.01 2aet n LYS 313 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.40 178.73 2aet n VAL 314 N 1.22 0.00 0.28 3.15 0.24 -1.24 -4.75 118.33 117.23 2aet n VAL 314 Ca 0.13 0.00 0.19 0.00 -2.04 0.00 0.00 64.34 62.62 2aet n VAL 314 Cb 0.57 1.50 1.00 0.00 -1.47 0.00 0.00 33.84 35.44 2aet n VAL 314 CO 0.00 0.00 0.00 0.07 -2.14 0.00 0.00 176.83 174.76 2aet h LYS 315 N 0.00 0.00 0.00 7.34 2.10 -1.51 -3.01 116.57 121.49 2aet h LYS 315 Ca 0.00 0.00 -0.38 0.00 -2.00 0.00 0.00 60.65 58.27 2aet h LYS 315 Cb 0.68 0.00 -0.06 0.00 -0.90 0.00 0.00 32.23 31.96 2aet h LYS 315 CO 0.00 0.00 -2.09 0.39 -2.00 0.00 0.00 179.45 175.75 2aet n GLU 316 N -2.81 0.59 -1.54 0.07 1.02 -1.26 -4.97 120.64 111.73 2aet n GLU 316 Ca -0.02 0.37 -0.44 0.00 -0.02 0.00 0.00 57.16 57.04 2aet n GLU 316 Cb 0.07 -1.59 -0.01 0.00 -0.02 0.00 0.00 31.44 29.89 2aet n GLU 316 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2aet n GLU 317 N -4.27 1.02 -1.43 3.49 1.02 -1.14 -4.92 120.64 114.41 2aet n GLU 317 Ca -0.46 0.36 -0.21 0.00 -0.02 0.00 0.00 57.16 56.83 2aet n GLU 317 Cb 0.82 -1.68 0.10 0.00 -0.02 0.00 0.00 31.44 30.66 2aet n GLU 317 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2aet n LYS 318 N 0.68 2.76 -1.30 3.49 5.02 -1.26 -4.68 118.16 122.87 2aet n LYS 318 Ca 0.11 -3.60 -0.32 0.00 -2.02 0.00 0.00 58.31 52.48 2aet n LYS 318 Cb 0.33 -2.13 0.10 0.00 -0.02 0.00 0.00 35.03 33.30 2aet n LYS 318 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 2aet s THR 319 N -4.19 2.87 0.17 -0.18 2.01 -1.26 -4.87 115.64 110.18 2aet s THR 319 Ca 0.53 0.34 0.34 0.00 0.31 0.00 0.00 61.69 63.20 2aet s THR 319 Cb 0.44 -2.75 0.35 0.00 0.01 0.00 0.00 72.50 70.55 2aet s THR 319 CO 0.01 -0.32 2.02 -0.33 -0.69 0.00 0.00 174.62 175.32 2aet h GLU 320 N -0.84 0.00 0.00 4.92 5.08 -2.00 -3.03 114.58 118.71 2aet h GLU 320 Ca -0.45 0.00 -0.24 0.00 -1.00 0.00 0.00 59.36 57.67 2aet h GLU 320 Cb 1.25 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.47 2aet h GLU 320 CO 0.50 0.00 -1.31 -0.25 -1.00 0.00 0.00 179.01 176.94 2aet n ASP 321 N -2.75 1.87 -0.09 1.42 8.00 -1.26 -4.15 116.55 119.59 2aet n ASP 321 Ca -0.01 0.42 0.23 0.00 0.71 0.00 0.00 54.79 56.14 2aet n ASP 321 Cb 0.13 -0.96 0.69 0.00 -0.02 0.00 0.00 41.12 40.96 2aet n ASP 321 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2aet h ALA 322 N -0.50 2.62 0.00 2.24 0.00 -1.86 1.21 119.26 122.96 2aet h ALA 322 Ca -0.36 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.53 2aet h ALA 322 Cb 1.33 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.16 2aet h ALA 322 CO -0.22 -0.82 0.00 1.04 0.00 0.00 0.00 179.25 179.26 2aet n GLN 323 N -4.34 0.04 -0.10 0.00 6.02 -1.15 -1.67 117.38 116.18 2aet n GLN 323 Ca 0.14 0.15 -0.14 0.00 -0.01 0.00 0.00 57.00 57.14 2aet n GLN 323 Cb 0.75 -1.56 -0.09 0.00 1.02 0.00 0.00 30.24 30.36 2aet n GLN 323 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 2aet n LYS 324 N -1.64 0.48 0.04 -1.09 5.02 0.37 -3.44 118.16 117.90 2aet n LYS 324 Ca 0.05 0.12 -0.12 0.00 -2.02 0.00 0.00 58.31 56.34 2aet n LYS 324 Cb 0.27 -1.37 -0.07 0.00 -0.02 0.00 0.00 35.03 33.85 2aet n LYS 324 CO 0.00 0.00 0.00 0.35 -0.52 0.00 0.00 177.40 177.23 2aet h PHE 325 N -0.06 -0.02 -0.22 2.13 3.57 -0.28 -0.47 116.94 121.58 2aet h PHE 325 Ca -0.43 0.00 -0.09 0.00 3.53 0.00 0.00 57.97 60.97 2aet h PHE 325 Cb 1.65 0.01 -0.01 0.00 2.79 0.00 0.00 35.95 40.38 2aet h PHE 325 CO 0.01 -0.02 -0.27 0.00 -2.23 0.00 0.00 178.31 175.81 2aet h LYS 327 N 0.37 0.50 0.01 0.00 1.63 -1.49 -2.67 116.57 114.93 2aet h LYS 327 Ca 0.05 -0.12 -0.00 0.00 -0.85 0.00 0.00 60.65 59.73 2aet h LYS 327 Cb 0.68 -0.07 0.00 0.00 -0.60 0.00 0.00 32.23 32.24 2aet h LYS 327 CO 0.05 0.57 -0.00 0.74 -3.45 0.00 0.00 179.45 177.35 2aet h PHE 328 N 0.48 -0.01 -0.40 1.91 0.04 -0.68 -3.16 116.94 115.12 2aet h PHE 328 Ca 0.10 -0.00 0.11 0.00 2.80 0.00 0.00 57.97 60.98 2aet h PHE 328 Cb 0.38 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.52 2aet h PHE 328 CO 0.01 0.84 0.53 -0.92 -0.60 0.00 0.00 178.31 178.17 2aet h TYR 329 N -0.91 0.00 0.00 -0.55 5.03 -0.93 0.27 116.97 119.88 2aet h TYR 329 Ca -0.00 0.00 -0.01 0.00 2.58 0.00 0.00 58.73 61.29 2aet h TYR 329 Cb 0.85 0.00 0.00 0.00 1.55 0.00 0.00 36.73 39.13 2aet h TYR 329 CO 0.23 0.00 -0.06 0.93 -1.32 0.00 0.00 178.16 177.94 2aet h GLU 330 N 0.00 0.03 -0.66 1.82 5.08 -1.52 -2.71 114.58 116.62 2aet h GLU 330 Ca 0.19 -0.04 0.14 0.00 -1.00 0.00 0.00 59.36 58.65 2aet h GLU 330 Cb 1.25 0.01 -0.11 0.00 0.50 0.00 0.00 28.75 30.41 2aet h GLU 330 CO -0.00 0.87 0.07 1.96 -1.00 0.00 0.00 179.01 180.91 2aet h GLN 331 N -0.78 0.18 0.25 2.33 4.20 -0.45 -0.18 115.11 120.65 2aet h GLN 331 Ca -0.01 -0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.68 2aet h GLN 331 Cb 0.89 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.64 2aet h GLN 331 CO 0.01 0.12 -0.12 0.00 -0.67 0.00 0.00 178.83 178.17 2aet h ALA 332 N 1.58 -0.33 -0.99 3.87 0.00 -1.50 -2.88 119.26 119.02 2aet h ALA 332 Ca 0.36 -0.14 0.19 0.00 0.00 0.00 0.00 54.91 55.32 2aet h ALA 332 Cb 0.59 0.13 -0.10 0.00 0.00 0.00 0.00 17.79 18.41 2aet h ALA 332 CO -0.52 -0.59 0.61 0.00 0.00 0.00 0.00 179.25 178.76 2aet h ALA 333 N 0.18 1.79 -0.87 0.00 0.00 -1.03 2.70 119.26 122.02 2aet h ALA 333 Ca -0.03 0.06 0.05 0.00 0.00 0.00 0.00 54.91 54.99 2aet h ALA 333 Cb 0.39 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 18.04 2aet h ALA 333 CO 0.06 -0.14 0.55 -0.91 0.00 0.00 0.00 179.25 178.81 2aet h ASN 334 N 0.70 0.89 0.00 0.00 2.35 -0.84 -0.59 115.58 118.10 2aet h ASN 334 Ca 0.55 0.01 -0.34 0.00 -0.55 0.00 0.00 56.30 55.97 2aet h ASN 334 Cb 0.94 -0.18 -0.06 0.00 0.05 0.00 0.00 38.32 39.07 2aet h ASN 334 CO -0.33 0.58 -2.29 1.33 -1.65 0.00 0.00 177.43 175.08 2aet n VAL 335 N -4.58 1.29 0.01 2.81 0.24 -0.10 -4.69 118.33 113.31 2aet n VAL 335 Ca 0.12 -0.67 -0.03 0.00 -2.04 0.00 0.00 64.34 61.72 2aet n VAL 335 Cb 0.14 -0.84 -0.10 0.00 -1.47 0.00 0.00 33.84 31.57 2aet n VAL 335 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2aet n GLY 336 N 2.07 -1.13 3.63 7.63 0.00 0.89 -4.86 105.19 113.42 2aet n GLY 336 Ca -0.35 -0.11 -0.43 0.00 0.00 0.00 0.00 46.02 45.14 2aet n GLY 336 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2aet s ALA 337 N -2.83 3.25 -0.13 4.61 0.00 -0.23 -4.96 121.76 121.48 2aet s ALA 337 Ca -0.04 0.42 -0.04 0.00 0.00 0.00 0.00 51.96 52.30 2aet s ALA 337 Cb 0.08 -3.86 0.06 0.00 0.00 0.00 0.00 23.12 19.41 2aet s ALA 337 CO 0.82 -1.99 0.18 0.08 0.00 0.00 0.00 175.76 174.85 2aet s VAL 338 N 5.24 -0.28 0.15 0.00 1.01 -1.26 -4.92 120.40 120.34 2aet s VAL 338 Ca 0.71 0.18 -0.34 0.00 0.00 0.00 0.00 61.98 62.52 2aet s VAL 338 Cb -0.24 -0.43 -0.14 0.00 0.00 0.00 0.00 36.38 35.57 2aet s VAL 338 CO 0.29 0.01 1.58 -0.24 0.00 0.00 0.00 175.10 176.75 2aet n SER 339 N 5.32 3.06 0.21 3.32 2.88 -1.26 -4.83 113.62 122.31 2aet n SER 339 Ca -0.05 1.08 0.18 0.00 -1.33 0.00 0.00 58.87 58.75 2aet n SER 339 Cb 0.50 -1.42 0.82 0.00 -0.75 0.00 0.00 64.21 63.36 2aet n SER 339 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 2aet h PRO 340 N 6.01 0.00 0.00 -1.46 0.11 -2.00 -0.60 132.00 134.06 2aet h PRO 340 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 2aet h PRO 340 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 2aet h PRO 340 CO 0.89 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.55 2aet n SER 341 N -3.49 0.00 -0.13 -2.05 3.41 -1.26 -1.42 113.62 108.68 2aet n SER 341 Ca 0.02 0.46 0.11 0.00 -0.26 0.00 0.00 58.87 59.20 2aet n SER 341 Cb 0.43 -0.48 -0.00 0.00 -0.26 0.00 0.00 64.21 63.90 2aet n SER 341 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2aet n GLU 342 N -1.48 0.33 0.00 4.33 1.02 -0.23 -4.82 120.64 119.80 2aet n GLU 342 Ca 0.02 -0.26 0.00 0.00 -0.02 0.00 0.00 57.16 56.90 2aet n GLU 342 Cb 0.09 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 30.02 2aet n GLU 342 CO 0.00 0.00 0.00 -2.67 1.18 0.00 0.00 177.13 175.64 2aet n TRP 343 N -1.10 -0.38 -2.37 -0.32 4.27 -0.94 -4.85 117.44 111.75 2aet n TRP 343 Ca 0.06 0.00 -0.41 0.00 -3.89 0.00 0.00 57.50 53.26 2aet n TRP 343 Cb 0.36 0.29 -0.01 0.00 -1.36 0.00 0.00 31.31 30.60 2aet n TRP 343 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 2aet n ALA 344 N -2.08 3.56 -3.54 -1.67 0.00 -0.50 -4.55 120.51 111.73 2aet n ALA 344 Ca 0.00 -3.73 -0.16 0.00 0.00 0.00 0.00 53.44 49.55 2aet n ALA 344 Cb 0.00 -3.58 -0.06 0.00 0.00 0.00 0.00 19.45 15.81 2aet n ALA 344 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 2aet s TYR 345 N 5.03 -0.59 0.60 0.00 -0.85 -1.26 -4.74 117.35 115.54 2aet s TYR 345 Ca 0.55 1.03 -0.10 0.00 -0.52 0.00 0.00 57.07 58.03 2aet s TYR 345 Cb 0.05 0.42 0.14 0.00 0.38 0.00 0.00 41.96 42.94 2aet s TYR 345 CO 0.07 -0.54 0.76 -0.35 -1.52 0.00 0.00 175.55 173.97 2aet n PRO 346 N 0.92 -0.98 -2.42 -3.49 -0.04 -1.26 -4.86 135.00 122.87 2aet n PRO 346 Ca -0.17 -1.18 -0.36 0.00 -0.04 0.00 0.00 63.50 61.75 2aet n PRO 346 Cb 0.57 -0.83 -0.03 0.00 -0.04 0.00 0.00 33.50 33.18 2aet n PRO 346 CO 0.00 0.00 0.00 -2.14 -0.04 0.00 0.00 175.50 173.32 2aet s PRO 347 N -4.67 3.94 0.20 0.54 0.02 -1.26 -4.94 135.00 128.83 2aet s PRO 347 Ca 0.44 1.60 -0.11 0.00 0.02 0.00 0.00 61.00 62.95 2aet s PRO 347 Cb -0.02 -2.42 0.26 0.00 0.02 0.00 0.00 34.50 32.34 2aet s PRO 347 CO 0.31 -0.36 1.71 0.28 -0.33 0.00 0.00 177.00 178.62 2aet h VAL 348 N 1.97 0.69 -0.97 3.83 2.07 -1.96 -0.39 116.25 121.48 2aet h VAL 348 Ca -0.49 -0.09 0.19 0.00 0.82 0.00 0.00 66.70 67.13 2aet h VAL 348 Cb 1.23 0.39 -0.11 0.00 -1.52 0.00 0.00 31.29 31.28 2aet h VAL 348 CO 0.61 0.05 0.56 0.00 0.02 0.00 0.00 177.57 178.81 2aet h ALA 349 N 1.44 1.60 -0.41 1.67 0.00 -1.92 -0.79 119.26 120.85 2aet h ALA 349 Ca 0.29 0.09 -0.12 0.00 0.00 0.00 0.00 54.91 55.18 2aet h ALA 349 Cb 0.41 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 2aet h ALA 349 CO -0.36 -0.11 -0.22 0.37 0.00 0.00 0.00 179.25 178.93 2aet h GLN 350 N 0.68 0.83 0.00 0.00 4.15 -1.45 -1.32 115.11 118.01 2aet h GLN 350 Ca 0.57 -0.34 -0.08 0.00 0.77 0.00 0.00 58.65 59.57 2aet h GLN 350 Cb 0.92 -0.04 -0.01 0.00 0.21 0.00 0.00 27.48 28.56 2aet h GLN 350 CO -0.41 0.97 -0.40 -0.07 -1.93 0.00 0.00 178.83 176.99 2aet h LEU 351 N 0.72 0.00 -0.16 -2.39 3.38 -0.99 -3.04 115.31 112.83 2aet h LEU 351 Ca 0.10 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.92 2aet h LEU 351 Cb 0.75 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.50 2aet h LEU 351 CO 0.06 0.40 -0.49 0.00 0.09 0.00 0.00 178.44 178.49 2aet h ALA 352 N 1.60 0.28 0.00 1.53 0.00 -0.81 -3.16 119.26 118.69 2aet h ALA 352 Ca -0.00 -0.49 -0.02 0.00 0.00 0.00 0.00 54.91 54.39 2aet h ALA 352 Cb 1.02 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.77 2aet h ALA 352 CO 0.05 0.45 -0.09 -0.97 0.00 0.00 0.00 179.25 178.69 2aet h ASN 353 N 0.28 0.00 0.00 0.00 -0.00 -1.21 -3.48 115.58 111.18 2aet h ASN 353 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.28 2aet h ASN 353 Cb 1.12 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 39.44 2aet h ASN 353 CO 0.11 0.09 0.00 0.52 -0.00 0.00 0.00 177.43 178.15