#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2j8m s ALA 3 N 0.00 0.53 0.05 -1.46 0.00 -1.26 -4.53 121.76 115.09 2j8m s ALA 3 Ca 0.00 -0.72 0.03 0.00 0.00 0.00 0.00 51.96 51.28 2j8m s ALA 3 Cb 0.00 0.04 -0.04 0.00 0.00 0.00 0.00 23.12 23.12 2j8m s ALA 3 CO 0.00 -0.02 0.01 0.45 0.00 0.00 0.00 175.76 176.20 2j8m s SER 4 N -1.47 5.13 -0.21 0.00 0.15 -0.22 -4.86 113.70 112.21 2j8m s SER 4 Ca -0.10 -0.08 -0.09 0.00 0.70 0.00 0.00 55.95 56.38 2j8m s SER 4 Cb -0.09 -1.29 -0.05 0.00 -1.71 0.00 0.00 66.02 62.88 2j8m s SER 4 CO 0.00 0.22 0.12 -0.63 1.20 0.00 0.00 173.24 174.15 2j8m s ILE 5 N -1.22 5.19 0.26 6.45 -1.09 -1.26 -1.05 121.20 128.47 2j8m s ILE 5 Ca 0.23 0.11 -0.14 0.00 -2.23 0.00 0.00 60.65 58.62 2j8m s ILE 5 Cb -0.12 -3.38 0.00 0.00 -1.58 0.00 0.00 42.46 37.39 2j8m s ILE 5 CO 0.15 0.42 0.54 0.00 -1.23 0.00 0.00 174.94 174.82 2j8m s ARG 6 N 0.60 1.64 0.39 2.79 1.70 -0.73 -4.98 118.95 120.35 2j8m s ARG 6 Ca 0.06 -1.21 -0.25 0.00 -0.47 0.00 0.00 55.73 53.86 2j8m s ARG 6 Cb -0.12 0.51 -0.09 0.00 -0.57 0.00 0.00 34.95 34.68 2j8m s ARG 6 CO 0.01 -0.70 1.13 -0.51 -1.08 0.00 0.00 175.30 174.15 2j8m s ASP 7 N -3.00 6.64 0.45 -2.89 1.01 -1.26 -0.84 116.67 116.77 2j8m s ASP 7 Ca 0.20 2.26 -0.22 0.00 0.71 0.00 0.00 52.55 55.50 2j8m s ASP 7 Cb -0.02 -2.61 -0.09 0.00 1.01 0.00 0.00 42.92 41.21 2j8m s ASP 7 CO 0.09 -0.59 1.03 0.00 0.21 0.00 0.00 175.17 175.91 2j8m s ALA 8 N -1.45 2.97 0.39 5.23 0.00 -0.04 -4.76 121.76 124.09 2j8m s ALA 8 Ca 0.56 0.61 0.06 0.00 0.00 0.00 0.00 51.96 53.19 2j8m s ALA 8 Cb -0.29 -3.24 -0.07 0.00 0.00 0.00 0.00 23.12 19.52 2j8m s ALA 8 CO 0.36 -0.21 0.03 0.20 0.00 0.00 0.00 175.76 176.13 2j8m s GLY 9 N -1.87 2.40 0.38 0.00 0.00 -1.26 -4.97 107.32 101.99 2j8m s GLY 9 Ca 0.63 -2.16 0.08 0.00 0.00 0.00 0.00 44.72 43.28 2j8m s GLY 9 CO 0.21 -2.01 1.95 -2.08 0.00 0.00 0.00 173.10 171.17 2j8m h VAL 10 N 1.86 0.97 0.00 1.40 2.07 -2.03 -0.68 116.25 119.84 2j8m h VAL 10 Ca -0.43 -0.23 0.00 0.00 0.82 0.00 0.00 66.70 66.86 2j8m h VAL 10 Cb 1.24 0.24 0.00 0.00 -1.52 0.00 0.00 31.29 31.25 2j8m h VAL 10 CO 0.77 0.12 0.00 0.00 0.02 0.00 0.00 177.57 178.48 2j8m n ALA 11 N -2.46 1.45 0.65 1.67 0.00 -1.26 -1.77 120.51 118.79 2j8m n ALA 11 Ca 0.11 0.11 0.12 0.00 0.00 0.00 0.00 53.44 53.79 2j8m n ALA 11 Cb 0.29 -1.35 0.27 0.00 0.00 0.00 0.00 19.45 18.66 2j8m n ALA 11 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2j8m n ASP 12 N -2.20 0.67 -0.36 0.00 8.00 -0.26 -4.34 116.55 118.07 2j8m n ASP 12 Ca 0.01 0.24 0.02 0.00 0.71 0.00 0.00 54.79 55.76 2j8m n ASP 12 Cb 0.16 -0.14 0.16 0.00 -0.02 0.00 0.00 41.12 41.28 2j8m n ASP 12 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 2j8m h LEU 13 N 0.00 1.02 -0.94 0.64 3.38 -1.41 -0.76 115.31 117.25 2j8m h LEU 13 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 2j8m h LEU 13 Cb 0.71 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 41.20 2j8m h LEU 13 CO 0.00 0.67 0.53 -0.65 0.09 0.00 0.00 178.44 179.08 2j8m h PRO 14 N 1.17 1.28 -0.41 1.13 0.11 -1.79 0.37 132.00 133.85 2j8m h PRO 14 Ca 0.41 -0.13 -0.10 0.00 0.11 0.00 0.00 66.00 66.29 2j8m h PRO 14 Cb 0.12 -0.26 -0.01 0.00 0.11 0.00 0.00 31.00 30.96 2j8m h PRO 14 CO -0.16 0.91 -0.15 0.78 -0.21 0.00 0.00 178.00 179.18 2j8m h GLY 15 N 1.29 0.90 1.04 -0.55 0.00 -1.66 -2.22 103.07 101.87 2j8m h GLY 15 Ca 0.33 -0.77 -0.07 0.00 0.00 0.00 0.00 47.33 46.82 2j8m h GLY 15 CO -0.06 0.71 0.14 -2.22 0.00 0.00 0.00 176.54 175.11 2j8m h ILE 16 N 0.64 1.26 -0.57 2.60 2.04 -0.67 -2.56 117.51 120.25 2j8m h ILE 16 Ca 0.10 -0.96 0.03 0.00 1.00 0.00 0.00 64.86 65.02 2j8m h ILE 16 Cb 0.69 0.64 -0.04 0.00 -0.74 0.00 0.00 36.82 37.37 2j8m h ILE 16 CO 0.05 0.36 0.34 0.25 0.00 0.00 0.00 178.15 179.16 2j8m h LEU 17 N 0.97 0.55 -0.06 1.44 5.85 -0.13 0.07 115.31 124.00 2j8m h LEU 17 Ca 0.20 0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.93 2j8m h LEU 17 Cb 0.38 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.30 2j8m h LEU 17 CO 0.01 0.39 0.02 0.00 -0.34 0.00 0.00 178.44 178.51 2j8m h ALA 18 N 1.25 0.06 -0.33 1.25 0.00 -1.10 0.19 119.26 120.59 2j8m h ALA 18 Ca 0.23 0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.16 2j8m h ALA 18 Cb 0.03 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 2j8m h ALA 18 CO -0.10 -0.45 0.20 0.82 0.00 0.00 0.00 179.25 179.71 2j8m h ILE 19 N 0.05 1.05 0.11 0.00 2.04 -1.19 0.19 117.51 119.75 2j8m h ILE 19 Ca 0.03 -0.14 0.02 0.00 1.00 0.00 0.00 64.86 65.76 2j8m h ILE 19 Cb 0.01 0.60 -0.03 0.00 -0.74 0.00 0.00 36.82 36.66 2j8m h ILE 19 CO -0.03 0.07 -0.26 0.22 0.00 0.00 0.00 178.15 178.16 2j8m h TYR 20 N 0.41 -0.69 0.00 1.37 3.20 -0.66 -1.54 116.97 119.06 2j8m h TYR 20 Ca 0.13 0.02 -0.04 0.00 3.14 0.00 0.00 58.73 61.97 2j8m h TYR 20 Cb -0.01 0.29 -0.01 0.00 1.54 0.00 0.00 36.73 38.54 2j8m h TYR 20 CO -0.07 -0.36 -0.21 -0.91 -1.64 0.00 0.00 178.16 174.97 2j8m h ASN 21 N -0.46 0.00 -0.42 -2.11 2.35 -0.76 -0.82 115.58 113.36 2j8m h ASN 21 Ca 0.03 0.00 -0.12 0.00 -0.55 0.00 0.00 56.30 55.66 2j8m h ASN 21 Cb 0.49 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.85 2j8m h ASN 21 CO -0.16 0.21 -0.22 0.44 -1.65 0.00 0.00 177.43 176.05 2j8m h ASP 22 N 0.00 0.93 -0.64 5.81 3.32 -0.48 -1.37 116.42 123.99 2j8m h ASP 22 Ca -0.00 -0.41 -0.07 0.00 0.02 0.00 0.00 57.03 56.57 2j8m h ASP 22 Cb 0.40 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.66 2j8m h ASP 22 CO 0.03 1.13 0.15 0.00 -1.72 0.00 0.00 179.24 178.83 2j8m h ALA 23 N 0.82 1.01 -0.73 3.45 0.00 -0.74 0.15 119.26 123.21 2j8m h ALA 23 Ca 0.09 -0.25 -0.04 0.00 0.00 0.00 0.00 54.91 54.72 2j8m h ALA 23 Cb 0.79 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.29 2j8m h ALA 23 CO 0.07 0.64 0.30 0.28 0.00 0.00 0.00 179.25 180.53 2j8m h VAL 24 N 1.00 1.25 0.01 0.00 2.07 -0.90 -1.82 116.25 117.85 2j8m h VAL 24 Ca 0.21 -0.78 -0.27 0.00 0.82 0.00 0.00 66.70 66.68 2j8m h VAL 24 Cb 0.37 0.39 -0.04 0.00 -1.52 0.00 0.00 31.29 30.50 2j8m h VAL 24 CO 0.00 0.32 -1.47 1.23 0.02 0.00 0.00 177.57 177.67 2j8m h GLY 25 N 1.05 0.02 -0.44 2.17 0.00 -0.94 -3.41 103.07 101.52 2j8m h GLY 25 Ca 0.24 -0.05 0.00 0.00 0.00 0.00 0.00 47.33 47.52 2j8m h GLY 25 CO -0.02 0.05 -0.17 0.70 0.00 0.00 0.00 176.54 177.10 2j8m n ASN 26 N -3.17 1.20 -3.71 0.19 5.03 0.48 -5.08 115.26 110.20 2j8m n ASN 26 Ca -0.12 -1.10 -0.22 0.00 0.87 0.00 0.00 54.58 54.02 2j8m n ASN 26 Cb 1.01 0.42 -0.08 0.00 -1.02 0.00 0.00 39.78 40.12 2j8m n ASN 26 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.26 175.85 2j8m s THR 27 N -1.21 0.25 -0.49 3.41 -4.23 -0.69 -5.02 115.64 107.66 2j8m s THR 27 Ca 0.08 -2.00 0.16 0.00 -1.18 0.00 0.00 61.69 58.74 2j8m s THR 27 Cb 0.07 -2.42 0.66 0.00 1.34 0.00 0.00 72.50 72.16 2j8m s THR 27 CO 0.21 0.00 1.58 0.35 -0.54 0.00 0.00 174.62 176.22 2j8m n THR 28 N -0.75 2.25 0.15 3.99 -2.24 -1.26 -4.49 114.28 111.93 2j8m n THR 28 Ca 0.01 -1.48 0.01 0.00 -2.27 0.00 0.00 64.05 60.32 2j8m n THR 28 Cb 0.64 -0.11 0.20 0.00 -2.10 0.00 0.00 70.33 68.96 2j8m n THR 28 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2j8m h ALA 29 N 3.15 0.91 -3.32 6.98 0.00 -1.96 -3.42 119.26 121.59 2j8m h ALA 29 Ca 0.00 -0.50 -0.56 0.00 0.00 0.00 0.00 54.91 53.85 2j8m h ALA 29 Cb 1.58 -0.09 -0.34 0.00 0.00 0.00 0.00 17.79 18.94 2j8m h ALA 29 CO 0.30 0.68 -0.83 0.42 0.00 0.00 0.00 179.25 179.83 2j8m s ILE 30 N -3.48 1.37 -1.09 0.00 1.01 -1.26 -4.99 121.20 112.76 2j8m s ILE 30 Ca -0.00 -0.58 -0.05 0.00 0.00 0.00 0.00 60.65 60.02 2j8m s ILE 30 Cb 0.11 -1.26 0.12 0.00 0.01 0.00 0.00 42.46 41.45 2j8m s ILE 30 CO 0.74 0.41 2.44 0.79 0.00 0.00 0.00 174.94 179.32 2j8m n TRP 31 N 4.09 2.37 -3.93 3.97 7.02 -1.26 -4.79 117.44 124.91 2j8m n TRP 31 Ca -0.20 -2.59 -0.10 0.00 -1.02 0.00 0.00 57.50 53.60 2j8m n TRP 31 Cb 0.51 -1.67 -0.11 0.00 -2.42 0.00 0.00 31.31 27.62 2j8m n TRP 31 CO 0.00 0.00 0.00 -0.80 -2.02 0.00 0.00 177.69 174.87 2j8m s ASN 32 N 0.24 0.14 -0.06 -0.99 -0.87 -1.26 -5.00 114.94 107.13 2j8m s ASN 32 Ca 0.54 -0.34 0.09 0.00 -1.57 0.00 0.00 52.86 51.58 2j8m s ASN 32 Cb 0.24 0.14 0.15 0.00 -0.02 0.00 0.00 41.25 41.76 2j8m s ASN 32 CO -0.13 -0.31 1.09 -0.62 -2.57 0.00 0.00 177.10 174.56 2j8m n GLU 33 N 1.64 2.30 -3.89 -0.60 1.02 -1.26 -4.79 120.64 115.06 2j8m n GLU 33 Ca -0.23 -2.02 -0.35 0.00 -0.02 0.00 0.00 57.16 54.54 2j8m n GLU 33 Cb 0.56 -1.25 -0.14 0.00 -0.02 0.00 0.00 31.44 30.59 2j8m n GLU 33 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 2j8m s THR 34 N -1.84 3.24 0.70 2.62 2.01 -1.26 -4.94 115.64 116.17 2j8m s THR 34 Ca 0.16 -0.99 -0.14 0.00 0.31 0.00 0.00 61.69 61.02 2j8m s THR 34 Cb 0.13 -2.69 0.02 0.00 0.01 0.00 0.00 72.50 69.97 2j8m s THR 34 CO 0.02 0.10 1.13 -2.16 -0.69 0.00 0.00 174.62 173.03 2j8m s PRO 35 N 1.37 2.48 0.46 4.92 0.04 -1.26 -5.05 135.00 137.96 2j8m s PRO 35 Ca -0.00 1.47 0.06 0.00 0.04 0.00 0.00 61.00 62.57 2j8m s PRO 35 Cb -0.17 -1.90 -0.02 0.00 0.04 0.00 0.00 34.50 32.44 2j8m s PRO 35 CO -0.02 -1.51 0.24 0.14 0.04 0.00 0.00 177.00 175.90 2j8m s VAL 36 N -2.33 2.02 0.49 -0.36 -7.23 -1.26 -5.14 120.40 106.61 2j8m s VAL 36 Ca 0.68 -1.64 0.06 0.00 -1.81 0.00 0.00 61.98 59.27 2j8m s VAL 36 Cb -0.22 -2.66 0.01 0.00 0.56 0.00 0.00 36.38 34.06 2j8m s VAL 36 CO 0.45 0.00 0.31 1.51 -0.31 0.00 0.00 175.10 177.06 2j8m s ASP 37 N -4.03 4.59 0.28 4.85 3.84 -1.26 -4.98 116.67 119.95 2j8m s ASP 37 Ca 0.36 -1.19 -0.02 0.00 -0.00 0.00 0.00 52.55 51.70 2j8m s ASP 37 Cb 0.01 0.10 0.42 0.00 -1.38 0.00 0.00 42.92 42.07 2j8m s ASP 37 CO 0.20 -0.90 1.91 0.25 -0.00 0.00 0.00 175.17 176.64 2j8m h LEU 38 N 1.00 1.02 -1.38 2.11 5.85 -1.99 -1.49 115.31 120.42 2j8m h LEU 38 Ca -0.39 -0.00 0.03 0.00 0.84 0.00 0.00 57.88 58.35 2j8m h LEU 38 Cb 1.29 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 42.06 2j8m h LEU 38 CO 0.62 0.68 0.44 0.00 -0.34 0.00 0.00 178.44 179.84 2j8m h ALA 39 N 1.46 1.60 -0.20 1.25 0.00 -1.99 0.80 119.26 122.19 2j8m h ALA 39 Ca 0.39 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.26 2j8m h ALA 39 Cb 0.08 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 2j8m h ALA 39 CO -0.13 0.34 0.09 -0.97 0.00 0.00 0.00 179.25 178.57 2j8m h ASN 40 N 0.82 0.26 0.49 0.00 -0.73 -1.67 -1.19 115.58 113.57 2j8m h ASN 40 Ca 0.26 -0.14 -0.08 0.00 1.87 0.00 0.00 56.30 58.21 2j8m h ASN 40 Cb 0.03 -0.07 -0.01 0.00 0.27 0.00 0.00 38.32 38.54 2j8m h ASN 40 CO -0.07 0.33 -0.40 0.03 -0.37 0.00 0.00 177.43 176.96 2j8m h ARG 41 N 0.18 0.00 -0.41 6.67 2.47 -0.98 -1.82 114.38 120.48 2j8m h ARG 41 Ca 0.07 0.00 -0.10 0.00 -1.26 0.00 0.00 59.98 58.69 2j8m h ARG 41 Cb 0.14 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.45 2j8m h ARG 41 CO -0.01 0.40 -0.12 0.37 0.56 0.00 0.00 179.97 181.17 2j8m h GLN 42 N 0.00 0.81 -0.53 0.04 5.75 -0.52 1.00 115.11 121.66 2j8m h GLN 42 Ca -0.00 -0.32 -0.04 0.00 -0.15 0.00 0.00 58.65 58.14 2j8m h GLN 42 Cb 0.75 -0.04 -0.02 0.00 1.07 0.00 0.00 27.48 29.23 2j8m h GLN 42 CO 0.05 0.95 0.19 0.00 -2.65 0.00 0.00 178.83 177.36 2j8m h ALA 43 N 0.84 0.69 -0.75 3.38 0.00 -1.00 -1.54 119.26 120.88 2j8m h ALA 43 Ca 0.10 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 2j8m h ALA 43 Cb 0.66 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 2j8m h ALA 43 CO 0.05 0.33 0.35 2.35 0.00 0.00 0.00 179.25 182.32 2j8m h TRP 44 N 0.72 1.10 -0.14 0.00 7.01 -1.16 -0.06 115.95 123.43 2j8m h TRP 44 Ca 0.17 -0.06 0.02 0.00 2.11 0.00 0.00 58.89 61.13 2j8m h TRP 44 Cb 0.24 -0.34 -0.02 0.00 -2.10 0.00 0.00 29.16 26.95 2j8m h TRP 44 CO 0.01 0.82 0.02 0.35 -2.79 0.00 0.00 178.44 176.85 2j8m h PHE 45 N 1.07 0.03 -0.31 2.65 3.57 -0.45 -1.31 116.94 122.19 2j8m h PHE 45 Ca 0.26 0.01 -0.14 0.00 3.53 0.00 0.00 57.97 61.62 2j8m h PHE 45 Cb 0.14 0.01 -0.01 0.00 2.79 0.00 0.00 35.95 38.88 2j8m h PHE 45 CO 0.01 0.01 -0.38 -0.44 -2.23 0.00 0.00 178.31 175.28 2j8m h ASP 46 N 0.08 0.78 -0.83 0.41 3.32 -1.08 -2.80 116.42 116.30 2j8m h ASP 46 Ca 0.06 -0.35 -0.03 0.00 0.02 0.00 0.00 57.03 56.74 2j8m h ASP 46 Cb 0.06 -0.22 -0.04 0.00 0.22 0.00 0.00 39.33 39.35 2j8m h ASP 46 CO -0.09 1.08 0.41 0.00 -1.72 0.00 0.00 179.24 178.92 2j8m h ALA 47 N 0.96 1.16 -0.31 3.45 0.00 -0.76 -1.38 119.26 122.37 2j8m h ALA 47 Ca 0.05 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 2j8m h ALA 47 Cb 0.93 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 2j8m h ALA 47 CO 0.08 0.65 0.11 0.00 0.00 0.00 0.00 179.25 180.09 2j8m h ARG 48 N 1.18 0.48 -0.56 0.00 2.47 -1.16 -2.75 114.38 114.05 2j8m h ARG 48 Ca 0.29 -0.10 0.02 0.00 -1.26 0.00 0.00 59.98 58.93 2j8m h ARG 48 Cb 0.10 -0.07 -0.03 0.00 -1.65 0.00 0.00 29.97 28.31 2j8m h ARG 48 CO -0.04 0.52 0.35 0.00 0.56 0.00 0.00 179.97 181.36 2j8m h ALA 49 N 0.94 0.72 -0.41 0.04 0.00 -1.22 0.46 119.26 119.78 2j8m h ALA 49 Ca 0.10 -0.02 0.05 0.00 0.00 0.00 0.00 54.91 55.04 2j8m h ALA 49 Cb 0.23 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 2j8m h ALA 49 CO -0.00 0.10 0.28 0.00 0.00 0.00 0.00 179.25 179.62 2j8m h ARG 50 N 0.71 0.33 -0.01 0.00 3.08 -1.03 -0.05 114.38 117.41 2j8m h ARG 50 Ca 0.22 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.25 2j8m h ARG 50 Cb -0.03 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 29.95 2j8m h ARG 50 CO -0.07 0.22 -0.26 1.04 -1.07 0.00 0.00 179.97 179.83 2j8m n GLN 51 N -4.48 0.71 -1.00 0.04 6.02 -0.77 -4.92 117.38 112.99 2j8m n GLN 51 Ca 0.05 -0.39 0.00 0.00 -0.01 0.00 0.00 57.00 56.65 2j8m n GLN 51 Cb 0.24 -1.49 0.00 0.00 1.02 0.00 0.00 30.24 30.00 2j8m n GLN 51 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2j8m n GLY 52 N 1.35 0.40 3.75 1.08 0.00 -0.03 -5.03 105.19 106.71 2j8m n GLY 52 Ca 0.12 -0.91 -0.38 0.00 0.00 0.00 0.00 46.02 44.86 2j8m n GLY 52 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2j8m s TYR 53 N -2.00 3.55 0.54 1.61 4.12 0.05 -5.00 117.35 120.22 2j8m s TYR 53 Ca 0.00 0.84 -0.13 0.00 0.02 0.00 0.00 57.07 57.80 2j8m s TYR 53 Cb 0.00 -2.44 -0.06 0.00 -1.52 0.00 0.00 41.96 37.94 2j8m s TYR 53 CO 0.00 0.29 0.96 -1.25 0.02 0.00 0.00 175.55 175.58 2j8m s PRO 54 N 0.20 3.76 -0.19 -1.71 0.04 -1.26 -3.98 135.00 131.85 2j8m s PRO 54 Ca 0.23 0.76 -0.01 0.00 0.04 0.00 0.00 61.00 62.02 2j8m s PRO 54 Cb -0.15 -2.16 0.05 0.00 0.04 0.00 0.00 34.50 32.28 2j8m s PRO 54 CO 0.09 -0.35 -0.03 0.42 0.04 0.00 0.00 177.00 177.17 2j8m s ILE 55 N -2.82 1.05 0.03 0.56 1.01 -1.26 -3.83 121.20 115.94 2j8m s ILE 55 Ca 0.56 -0.77 0.02 0.00 0.00 0.00 0.00 60.65 60.46 2j8m s ILE 55 Cb -0.10 -1.35 -0.04 0.00 0.01 0.00 0.00 42.46 40.98 2j8m s ILE 55 CO 0.41 -0.03 0.01 -0.76 0.00 0.00 0.00 174.94 174.57 2j8m s LEU 56 N 1.63 3.53 0.08 2.97 1.43 0.72 -0.86 118.68 128.19 2j8m s LEU 56 Ca -0.02 -0.04 0.06 0.00 -1.03 0.00 0.00 54.13 53.10 2j8m s LEU 56 Cb -0.17 -2.10 -0.03 0.00 0.03 0.00 0.00 46.19 43.92 2j8m s LEU 56 CO -0.07 0.25 -0.17 0.68 0.23 0.00 0.00 176.35 177.26 2j8m s VAL 57 N -1.17 1.40 -0.35 -1.59 -7.23 -0.02 -0.52 120.40 110.93 2j8m s VAL 57 Ca 0.22 -1.35 -0.10 0.00 -1.81 0.00 0.00 61.98 58.93 2j8m s VAL 57 Cb -0.12 -1.29 0.01 0.00 0.56 0.00 0.00 36.38 35.55 2j8m s VAL 57 CO 0.13 -0.09 0.19 0.00 -0.31 0.00 0.00 175.10 175.01 2j8m s ALA 58 N -1.14 3.28 0.13 1.32 0.00 -0.32 -1.78 121.76 123.26 2j8m s ALA 58 Ca 0.03 -1.57 0.10 0.00 0.00 0.00 0.00 51.96 50.51 2j8m s ALA 58 Cb -0.10 -2.51 -0.04 0.00 0.00 0.00 0.00 23.12 20.48 2j8m s ALA 58 CO 0.03 -1.17 -0.20 -1.54 0.00 0.00 0.00 175.76 172.87 2j8m s SER 59 N 1.58 3.73 0.31 0.00 1.04 -0.22 -0.22 113.70 119.92 2j8m s SER 59 Ca 0.03 -0.64 0.05 0.00 0.48 0.00 0.00 55.95 55.87 2j8m s SER 59 Cb -0.18 -0.45 0.05 0.00 0.10 0.00 0.00 66.02 65.53 2j8m s SER 59 CO 0.07 0.17 0.37 -0.90 0.98 0.00 0.00 173.24 173.93 2j8m n ASP 60 N 0.71 1.38 -0.35 7.02 5.68 -1.08 -1.06 116.55 128.85 2j8m n ASP 60 Ca -0.15 -1.89 0.12 0.00 -0.50 0.00 0.00 54.79 52.37 2j8m n ASP 60 Cb 0.53 -0.17 0.31 0.00 -1.14 0.00 0.00 41.12 40.66 2j8m n ASP 60 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2j8m h ALA 61 N 0.41 1.65 0.00 2.12 0.00 -1.93 0.32 119.26 121.83 2j8m h ALA 61 Ca -0.16 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2j8m h ALA 61 Cb 0.68 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.38 2j8m h ALA 61 CO 0.24 -0.03 0.00 0.00 0.00 0.00 0.00 179.25 179.45 2j8m n ALA 62 N -2.33 1.86 -0.73 0.00 0.00 -1.26 -4.87 120.51 113.18 2j8m n ALA 62 Ca 0.23 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.62 2j8m n ALA 62 Cb 0.55 -1.32 0.00 0.00 0.00 0.00 0.00 19.45 18.68 2j8m n ALA 62 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2j8m n GLY 63 N 0.43 0.63 3.77 0.00 0.00 0.11 -5.04 105.19 105.10 2j8m n GLY 63 Ca 0.04 -0.08 -0.38 0.00 0.00 0.00 0.00 46.02 45.60 2j8m n GLY 63 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2j8m s GLU 64 N -0.40 4.21 -0.49 1.61 2.02 -1.26 -4.76 118.70 119.64 2j8m s GLU 64 Ca 0.00 1.70 -0.27 0.00 0.02 0.00 0.00 54.97 56.42 2j8m s GLU 64 Cb 0.00 -2.73 0.03 0.00 0.10 0.00 0.00 34.13 31.53 2j8m s GLU 64 CO 0.00 -0.14 1.05 0.08 0.02 0.00 0.00 175.26 176.26 2j8m s VAL 65 N -1.46 4.30 -1.00 2.63 1.01 -1.26 -2.62 120.40 122.00 2j8m s VAL 65 Ca 0.55 0.92 0.24 0.00 0.00 0.00 0.00 61.98 63.69 2j8m s VAL 65 Cb -0.27 -4.55 -0.04 0.00 0.00 0.00 0.00 36.38 31.51 2j8m s VAL 65 CO 0.35 -0.99 1.31 0.18 0.00 0.00 0.00 175.10 175.94 2j8m n LEU 66 N 7.63 0.60 0.00 3.92 4.77 0.69 -4.88 117.00 129.73 2j8m n LEU 66 Ca 0.09 -0.10 0.00 0.00 -0.03 0.00 0.00 56.01 55.97 2j8m n LEU 66 Cb 0.49 -0.20 0.00 0.00 -2.33 0.00 0.00 43.42 41.38 2j8m n LEU 66 CO 0.68 0.15 0.00 0.61 -1.33 0.00 0.00 177.39 177.50 2j8m n GLY 67 N 1.50 1.09 3.29 -0.72 0.00 -1.22 -0.22 105.19 108.91 2j8m n GLY 67 Ca 0.05 -0.79 -0.10 0.00 0.00 0.00 0.00 46.02 45.18 2j8m n GLY 67 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2j8m s TYR 68 N -2.00 -0.07 0.05 1.61 -0.85 0.44 -1.17 117.35 115.36 2j8m s TYR 68 Ca 0.00 -0.28 -0.11 0.00 -0.52 0.00 0.00 57.07 56.15 2j8m s TYR 68 Cb 0.00 0.16 0.01 0.00 0.38 0.00 0.00 41.96 42.51 2j8m s TYR 68 CO 0.00 -0.67 0.25 0.00 -1.52 0.00 0.00 175.55 173.61 2j8m s ALA 69 N -3.83 -0.50 0.14 9.51 0.00 0.33 -0.33 121.76 127.07 2j8m s ALA 69 Ca 0.04 -0.20 -0.25 0.00 0.00 0.00 0.00 51.96 51.56 2j8m s ALA 69 Cb 0.03 0.35 0.08 0.00 0.00 0.00 0.00 23.12 23.57 2j8m s ALA 69 CO -0.11 -0.42 1.03 0.45 0.00 0.00 0.00 175.76 176.71 2j8m s SER 70 N -2.23 -0.10 0.09 0.00 0.15 -0.63 -0.20 113.70 110.78 2j8m s SER 70 Ca -0.03 -0.45 -0.12 0.00 0.70 0.00 0.00 55.95 56.05 2j8m s SER 70 Cb 0.00 0.45 0.01 0.00 -1.71 0.00 0.00 66.02 64.77 2j8m s SER 70 CO -0.05 -0.84 0.27 -0.72 1.20 0.00 0.00 173.24 173.10 2j8m s TYR 71 N -2.83 -0.01 0.00 3.44 1.13 -1.25 -0.64 117.35 117.19 2j8m s TYR 71 Ca 0.16 -0.32 0.00 0.00 -1.41 0.00 0.00 57.07 55.49 2j8m s TYR 71 Cb -0.01 0.07 0.00 0.00 -1.10 0.00 0.00 41.96 40.92 2j8m s TYR 71 CO 0.02 -0.58 0.00 0.41 -2.51 0.00 0.00 175.55 172.90 2j8m n GLY 72 N 0.06 2.53 3.66 5.49 0.00 -0.54 -4.66 105.19 111.73 2j8m n GLY 72 Ca -0.16 -1.16 -0.41 0.00 0.00 0.00 0.00 46.02 44.29 2j8m n GLY 72 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2j8m n ASP 73 N -1.44 1.88 -0.09 1.61 8.00 -1.26 -0.67 116.55 124.58 2j8m n ASP 73 Ca 0.00 1.04 -0.12 0.00 0.71 0.00 0.00 54.79 56.42 2j8m n ASP 73 Cb 0.00 -1.44 -0.05 0.00 -0.02 0.00 0.00 41.12 39.61 2j8m n ASP 73 CO 0.00 0.00 0.00 1.87 -0.39 0.00 0.00 177.20 178.68 2j8m n TRP 74 N -0.53 0.70 -4.74 1.24 -0.00 -1.25 -4.35 117.44 108.51 2j8m n TRP 74 Ca 0.09 0.30 -0.25 0.00 -0.00 0.00 0.00 57.50 57.64 2j8m n TRP 74 Cb 0.41 -0.82 -0.16 0.00 -0.00 0.00 0.00 31.31 30.74 2j8m n TRP 74 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 177.69 178.72 2j8m s ARG 75 N -2.41 1.59 -0.47 5.87 0.52 -1.26 -4.96 118.95 117.82 2j8m s ARG 75 Ca -0.23 -0.54 -0.04 0.00 -0.52 0.00 0.00 55.73 54.40 2j8m s ARG 75 Cb 0.04 -1.40 -0.07 0.00 0.52 0.00 0.00 34.95 34.05 2j8m s ARG 75 CO 0.37 0.22 1.88 -0.35 0.02 0.00 0.00 175.30 177.43 2j8m n PRO 76 N 3.16 1.38 -3.83 3.54 -0.04 -1.26 -4.71 135.00 133.24 2j8m n PRO 76 Ca -0.18 -0.97 -0.12 0.00 -0.04 0.00 0.00 63.50 62.19 2j8m n PRO 76 Cb 0.53 -2.13 -0.10 0.00 -0.04 0.00 0.00 33.50 31.76 2j8m n PRO 76 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 2j8m s PHE 77 N 3.18 -0.09 0.55 0.54 0.40 -1.26 -5.04 117.98 116.26 2j8m s PHE 77 Ca 0.31 0.16 0.27 0.00 -0.60 0.00 0.00 56.93 57.06 2j8m s PHE 77 Cb 0.10 0.02 1.66 0.00 0.51 0.00 0.00 43.02 45.31 2j8m s PHE 77 CO -0.02 -0.25 2.21 1.05 0.70 0.00 0.00 175.22 178.91 2j8m h GLU 78 N 4.68 0.00 0.00 0.44 4.11 -2.03 -1.54 114.58 120.23 2j8m h GLU 78 Ca -0.29 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.14 2j8m h GLU 78 Cb 1.19 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.44 2j8m h GLU 78 CO 0.39 0.02 -0.01 0.78 0.07 0.00 0.00 179.01 180.27 2j8m h GLY 79 N 0.13 0.00 -2.91 1.06 0.00 -1.96 -2.16 103.07 97.23 2j8m h GLY 79 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2j8m h GLY 79 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 176.54 177.23 2j8m n PHE 80 N -3.23 1.43 0.19 5.60 3.01 -0.58 -4.60 117.46 119.27 2j8m n PHE 80 Ca -0.02 -0.63 0.12 0.00 1.01 0.00 0.00 57.45 57.93 2j8m n PHE 80 Cb 0.12 -0.25 0.63 0.00 -0.01 0.00 0.00 39.48 39.97 2j8m n PHE 80 CO 0.00 0.00 0.00 0.07 1.01 0.00 0.00 176.76 177.84 2j8m h ARG 81 N 3.85 0.00 -0.02 -1.08 0.11 -1.51 0.95 114.38 116.69 2j8m h ARG 81 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 2j8m h ARG 81 Cb 1.44 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.52 2j8m h ARG 81 CO 0.23 0.00 -0.03 0.41 0.10 0.00 0.00 179.97 180.68 2j8m n GLY 82 N -1.21 0.24 3.28 0.08 0.00 -1.26 -4.87 105.19 101.44 2j8m n GLY 82 Ca -0.01 -0.52 -0.32 0.00 0.00 0.00 0.00 46.02 45.17 2j8m n GLY 82 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2j8m s THR 83 N -2.05 2.16 0.08 2.61 2.01 0.33 -0.13 115.64 120.65 2j8m s THR 83 Ca 0.34 -1.03 0.06 0.00 0.31 0.00 0.00 61.69 61.37 2j8m s THR 83 Cb 0.20 -1.79 -0.03 0.00 0.01 0.00 0.00 72.50 70.89 2j8m s THR 83 CO 0.35 0.57 -0.15 0.68 -0.69 0.00 0.00 174.62 175.37 2j8m s VAL 84 N -0.14 1.24 -0.21 3.82 -7.23 -0.58 -3.95 120.40 113.36 2j8m s VAL 84 Ca -0.04 -1.41 -0.07 0.00 -1.81 0.00 0.00 61.98 58.65 2j8m s VAL 84 Cb -0.14 -1.22 -0.03 0.00 0.56 0.00 0.00 36.38 35.54 2j8m s VAL 84 CO 0.04 -0.23 0.05 -0.70 -0.31 0.00 0.00 175.10 173.95 2j8m s GLU 85 N -1.91 3.77 0.36 4.82 2.12 0.15 -0.48 118.70 127.53 2j8m s GLU 85 Ca 0.01 -0.44 0.08 0.00 0.36 0.00 0.00 54.97 54.98 2j8m s GLU 85 Cb -0.09 -3.20 -0.04 0.00 0.26 0.00 0.00 34.13 31.05 2j8m s GLU 85 CO 0.03 0.06 0.19 -3.38 -0.54 0.00 0.00 175.26 171.61 2j8m s HIS 86 N 0.94 2.72 -0.06 5.30 -3.43 -0.89 -1.46 115.29 118.41 2j8m s HIS 86 Ca 0.03 -0.41 -0.08 0.00 -0.80 0.00 0.00 55.06 53.79 2j8m s HIS 86 Cb -0.14 -1.76 0.02 0.00 -1.43 0.00 0.00 32.58 29.26 2j8m s HIS 86 CO 0.02 0.25 0.21 -1.54 -2.00 0.00 0.00 174.74 171.68 2j8m s SER 87 N -3.90 -0.17 -0.06 7.38 1.04 0.18 -4.61 113.70 113.56 2j8m s SER 87 Ca 0.40 0.27 0.02 0.00 0.48 0.00 0.00 55.95 57.11 2j8m s SER 87 Cb -0.02 0.38 0.02 0.00 0.10 0.00 0.00 66.02 66.50 2j8m s SER 87 CO 0.24 -0.18 -0.09 -0.69 0.98 0.00 0.00 173.24 173.50 2j8m s VAL 88 N -0.35 0.90 -0.10 5.02 1.01 -1.26 -1.60 120.40 124.01 2j8m s VAL 88 Ca -0.05 -0.34 -0.00 0.00 0.00 0.00 0.00 61.98 61.60 2j8m s VAL 88 Cb -0.03 -0.85 0.02 0.00 0.00 0.00 0.00 36.38 35.52 2j8m s VAL 88 CO 0.01 0.30 -0.07 -0.31 0.00 0.00 0.00 175.10 175.04 2j8m s TYR 89 N 0.79 1.36 -0.09 5.22 1.51 0.55 -5.01 117.35 121.68 2j8m s TYR 89 Ca -0.13 -0.64 -0.03 0.00 -1.01 0.00 0.00 57.07 55.26 2j8m s TYR 89 Cb -0.15 -1.15 -0.04 0.00 -0.11 0.00 0.00 41.96 40.51 2j8m s TYR 89 CO 0.02 -0.47 0.05 0.08 -1.11 0.00 0.00 175.55 174.13 2j8m s VAL 90 N 1.65 4.73 0.44 0.71 1.01 -1.26 -0.42 120.40 127.27 2j8m s VAL 90 Ca 0.03 -0.11 -0.25 0.00 0.00 0.00 0.00 61.98 61.65 2j8m s VAL 90 Cb -0.13 -3.03 -0.08 0.00 0.00 0.00 0.00 36.38 33.14 2j8m s VAL 90 CO -0.07 0.59 1.39 -0.60 0.00 0.00 0.00 175.10 176.41 2j8m s ARG 91 N -1.01 3.73 0.57 2.72 3.52 0.69 -4.87 118.95 124.31 2j8m s ARG 91 Ca 0.15 2.35 0.30 0.00 -0.13 0.00 0.00 55.73 58.40 2j8m s ARG 91 Cb -0.12 -2.66 1.45 0.00 -1.56 0.00 0.00 34.95 32.06 2j8m s ARG 91 CO 0.04 -0.75 1.84 -0.44 -0.81 0.00 0.00 175.30 175.18 2j8m h ASP 92 N 2.37 0.00 -0.06 -2.12 3.32 -1.97 0.54 116.42 118.51 2j8m h ASP 92 Ca -0.51 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.54 2j8m h ASP 92 Cb 1.26 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.81 2j8m h ASP 92 CO 0.61 0.00 0.00 -0.90 -1.72 0.00 0.00 179.24 177.23 2j8m n ASP 93 N -3.90 2.51 -1.18 6.45 5.75 -1.26 -4.25 116.55 120.67 2j8m n ASP 93 Ca 0.14 -1.83 0.03 0.00 -0.01 0.00 0.00 54.79 53.13 2j8m n ASP 93 Cb 0.88 -0.02 0.26 0.00 -1.03 0.00 0.00 41.12 41.21 2j8m n ASP 93 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2j8m n GLN 94 N 0.95 2.90 -2.87 0.11 1.13 0.18 -5.02 117.38 114.76 2j8m n GLN 94 Ca 0.16 -2.97 -0.37 0.00 -1.94 0.00 0.00 57.00 51.88 2j8m n GLN 94 Cb 0.51 -1.92 -0.06 0.00 0.11 0.00 0.00 30.24 28.88 2j8m n GLN 94 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 2j8m s ARG 95 N -2.95 4.51 0.00 -1.09 0.52 -1.25 -3.61 118.95 115.08 2j8m s ARG 95 Ca 0.45 1.21 0.00 0.00 -0.52 0.00 0.00 55.73 56.88 2j8m s ARG 95 Cb 0.38 -2.86 0.00 0.00 0.52 0.00 0.00 34.95 32.98 2j8m s ARG 95 CO 0.08 0.33 0.00 0.41 0.02 0.00 0.00 175.30 176.14 2j8m n GLY 96 N 0.69 0.73 0.87 -3.53 0.00 -1.26 -4.93 105.19 97.75 2j8m n GLY 96 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.10 2j8m n GLY 96 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2j8m n LYS 97 N -2.47 3.01 -1.68 1.61 5.02 -1.24 -4.98 118.16 117.44 2j8m n LYS 97 Ca 0.00 -2.55 -0.20 0.00 -2.02 0.00 0.00 58.31 53.55 2j8m n LYS 97 Cb 0.00 -1.64 -0.07 0.00 -0.02 0.00 0.00 35.03 33.30 2j8m n LYS 97 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2j8m n GLY 98 N 0.03 1.57 0.16 0.72 0.00 -1.26 -4.88 105.19 101.52 2j8m n GLY 98 Ca 0.18 -0.07 -0.02 0.00 0.00 0.00 0.00 46.02 46.11 2j8m n GLY 98 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2j8m h LEU 99 N 0.00 0.11 -0.54 0.99 3.38 -1.94 -2.39 115.31 114.92 2j8m h LEU 99 Ca -0.41 -0.06 -0.04 0.00 0.09 0.00 0.00 57.88 57.46 2j8m h LEU 99 Cb 1.29 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.98 2j8m h LEU 99 CO 0.58 0.65 0.20 1.23 0.09 0.00 0.00 178.44 181.19 2j8m h GLY 100 N 1.58 0.88 0.82 0.83 0.00 -1.93 -1.14 103.07 104.11 2j8m h GLY 100 Ca -0.00 -0.50 -0.01 0.00 0.00 0.00 0.00 47.33 46.82 2j8m h GLY 100 CO 0.08 0.47 0.02 -2.08 0.00 0.00 0.00 176.54 175.03 2j8m h VAL 101 N 0.74 1.17 -0.20 4.60 2.07 -1.95 -0.81 116.25 121.88 2j8m h VAL 101 Ca 0.18 -0.52 0.05 0.00 0.82 0.00 0.00 66.70 67.23 2j8m h VAL 101 Cb 0.23 1.40 -0.06 0.00 -1.52 0.00 0.00 31.29 31.34 2j8m h VAL 101 CO -0.01 0.15 -0.16 1.56 0.02 0.00 0.00 177.57 179.12 2j8m h GLN 102 N -0.08 -0.16 -0.26 1.57 4.20 -1.27 -0.45 115.11 118.66 2j8m h GLN 102 Ca 0.02 0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.73 2j8m h GLN 102 Cb 0.21 0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.02 2j8m h GLN 102 CO -0.00 -0.11 0.12 -0.07 -0.67 0.00 0.00 178.83 178.10 2j8m h LEU 103 N -0.17 0.34 -0.51 1.46 3.38 -1.14 -2.19 115.31 116.47 2j8m h LEU 103 Ca 0.12 -0.14 -0.05 0.00 0.09 0.00 0.00 57.88 57.90 2j8m h LEU 103 Cb 0.35 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 2j8m h LEU 103 CO -0.30 0.38 0.11 0.25 0.09 0.00 0.00 178.44 178.97 2j8m h LEU 104 N 0.27 0.79 -0.96 1.67 5.85 -0.95 0.09 115.31 122.08 2j8m h LEU 104 Ca 0.09 -0.24 0.01 0.00 0.84 0.00 0.00 57.88 58.57 2j8m h LEU 104 Cb 0.14 -0.21 -0.05 0.00 0.37 0.00 0.00 40.66 40.91 2j8m h LEU 104 CO -0.01 0.83 0.64 1.56 -0.34 0.00 0.00 178.44 181.12 2j8m h GLN 105 N 0.72 1.27 -0.48 1.25 4.20 -1.03 0.18 115.11 121.22 2j8m h GLN 105 Ca 0.16 -0.08 -0.13 0.00 0.06 0.00 0.00 58.65 58.67 2j8m h GLN 105 Cb 0.36 -0.29 -0.01 0.00 0.30 0.00 0.00 27.48 27.84 2j8m h GLN 105 CO 0.00 0.84 -0.19 0.00 -0.67 0.00 0.00 178.83 178.81 2j8m h ALA 106 N 1.35 0.75 -0.63 3.87 0.00 -1.14 -2.43 119.26 121.03 2j8m h ALA 106 Ca 0.35 -0.38 -0.09 0.00 0.00 0.00 0.00 54.91 54.79 2j8m h ALA 106 Cb -0.15 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.44 2j8m h ALA 106 CO -0.08 0.67 0.03 1.25 0.00 0.00 0.00 179.25 181.12 2j8m h LEU 107 N 0.84 1.06 -0.72 0.00 5.85 -0.22 -2.12 115.31 120.00 2j8m h LEU 107 Ca 0.12 -0.29 -0.01 0.00 0.84 0.00 0.00 57.88 58.54 2j8m h LEU 107 Cb 0.76 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.47 2j8m h LEU 107 CO 0.06 1.09 0.42 0.40 -0.34 0.00 0.00 178.44 180.07 2j8m h ILE 108 N 0.99 1.21 -0.62 4.05 2.04 -0.51 -0.61 117.51 124.05 2j8m h ILE 108 Ca 0.18 -0.48 -0.03 0.00 1.00 0.00 0.00 64.86 65.53 2j8m h ILE 108 Cb 0.53 0.22 -0.03 0.00 -0.74 0.00 0.00 36.82 36.80 2j8m h ILE 108 CO 0.03 0.22 0.27 -0.33 0.00 0.00 0.00 178.15 178.34 2j8m h GLU 109 N 0.99 0.91 -0.39 2.37 5.08 -1.20 -1.01 114.58 121.32 2j8m h GLU 109 Ca 0.26 -0.15 -0.02 0.00 -1.00 0.00 0.00 59.36 58.45 2j8m h GLU 109 Cb -0.01 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.06 2j8m h GLU 109 CO -0.05 0.75 0.16 0.00 -1.00 0.00 0.00 179.01 178.88 2j8m h ARG 110 N 0.86 0.58 -0.59 2.33 2.47 -0.94 -0.87 114.38 118.21 2j8m h ARG 110 Ca 0.21 -0.10 0.00 0.00 -1.26 0.00 0.00 59.98 58.83 2j8m h ARG 110 Cb 0.16 -0.10 -0.03 0.00 -1.65 0.00 0.00 29.97 28.36 2j8m h ARG 110 CO -0.02 0.55 0.38 0.00 0.56 0.00 0.00 179.97 181.44 2j8m h ALA 111 N 1.01 0.75 -0.36 0.04 0.00 -0.90 -1.09 119.26 118.71 2j8m h ALA 111 Ca 0.13 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 2j8m h ALA 111 Cb 0.18 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 2j8m h ALA 111 CO -0.01 0.20 0.04 -0.09 0.00 0.00 0.00 179.25 179.39 2j8m h ARG 112 N 0.80 0.61 0.00 0.00 2.43 -1.06 -2.50 114.38 114.67 2j8m h ARG 112 Ca 0.22 -0.18 -0.02 0.00 -0.81 0.00 0.00 59.98 59.19 2j8m h ARG 112 Cb -0.07 -0.07 -0.00 0.00 -0.42 0.00 0.00 29.97 29.41 2j8m h ARG 112 CO -0.04 0.70 -0.11 0.00 -1.51 0.00 0.00 179.97 179.00 2j8m h ALA 113 N 0.89 1.80 0.00 2.80 0.00 -0.93 -0.97 119.26 122.86 2j8m h ALA 113 Ca 0.11 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2j8m h ALA 113 Cb 0.39 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.17 2j8m h ALA 113 CO 0.01 0.14 0.00 0.94 0.00 0.00 0.00 179.25 180.34 2j8m n GLN 114 N -4.39 0.18 -1.21 0.00 7.27 -0.43 -4.89 117.38 113.91 2j8m n GLN 114 Ca -0.03 0.08 0.00 0.00 0.07 0.00 0.00 57.00 57.12 2j8m n GLN 114 Cb 0.18 -1.50 0.00 0.00 2.41 0.00 0.00 30.24 31.33 2j8m n GLN 114 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2j8m n GLY 115 N 0.83 0.54 3.87 1.69 0.00 -0.37 -5.06 105.19 106.69 2j8m n GLY 115 Ca 0.09 -0.86 -0.30 0.00 0.00 0.00 0.00 46.02 44.95 2j8m n GLY 115 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2j8m s LEU 116 N 0.00 3.37 -0.25 0.99 1.43 -0.97 -5.01 118.68 118.24 2j8m s LEU 116 Ca 0.00 1.32 -0.01 0.00 -1.03 0.00 0.00 54.13 54.42 2j8m s LEU 116 Cb 0.00 -4.34 -0.15 0.00 0.03 0.00 0.00 46.19 41.73 2j8m s LEU 116 CO 0.00 -0.77 -0.24 1.57 0.23 0.00 0.00 176.35 177.15 2j8m n HIS 117 N -2.49 0.00 -3.95 0.29 -0.00 0.82 -4.60 115.22 105.28 2j8m n HIS 117 Ca 0.05 0.00 -0.12 0.00 -0.00 0.00 0.00 57.72 57.65 2j8m n HIS 117 Cb 0.54 -0.94 -0.13 0.00 -0.00 0.00 0.00 29.99 29.46 2j8m n HIS 117 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.34 176.42 2j8m s VAL 118 N -2.49 0.12 -0.13 3.57 1.01 -0.47 0.46 120.40 122.48 2j8m s VAL 118 Ca -0.33 -0.26 -0.01 0.00 0.00 0.00 0.00 61.98 61.37 2j8m s VAL 118 Cb 0.09 -0.15 -0.02 0.00 0.00 0.00 0.00 36.38 36.30 2j8m s VAL 118 CO 0.54 -0.09 -0.10 -0.04 0.00 0.00 0.00 175.10 175.42 2j8m s MET 119 N -0.37 3.42 -0.06 2.72 1.00 -0.59 -1.53 119.30 123.88 2j8m s MET 119 Ca -0.03 -0.62 0.05 0.00 0.00 0.00 0.00 55.69 55.09 2j8m s MET 119 Cb -0.03 -2.72 -0.01 0.00 0.00 0.00 0.00 34.83 32.07 2j8m s MET 119 CO -0.00 0.27 -0.21 0.14 0.00 0.00 0.00 175.02 175.21 2j8m s VAL 120 N 0.24 2.38 -0.09 -6.03 -7.23 0.37 -1.25 120.40 108.79 2j8m s VAL 120 Ca -0.06 -0.95 0.02 0.00 -1.81 0.00 0.00 61.98 59.17 2j8m s VAL 120 Cb -0.15 -1.90 -0.02 0.00 0.56 0.00 0.00 36.38 34.88 2j8m s VAL 120 CO 0.04 0.57 -0.15 0.00 -0.31 0.00 0.00 175.10 175.25 2j8m s ALA 121 N -0.23 2.59 -0.34 1.32 0.00 0.66 -2.09 121.76 123.67 2j8m s ALA 121 Ca -0.01 -0.94 -0.04 0.00 0.00 0.00 0.00 51.96 50.98 2j8m s ALA 121 Cb -0.13 -1.06 0.06 0.00 0.00 0.00 0.00 23.12 21.98 2j8m s ALA 121 CO 0.03 0.38 0.08 0.00 0.00 0.00 0.00 175.76 176.25 2j8m s ALA 122 N -0.12 2.97 -0.07 0.00 0.00 -1.26 -1.41 121.76 121.86 2j8m s ALA 122 Ca -0.02 -1.89 0.05 0.00 0.00 0.00 0.00 51.96 50.09 2j8m s ALA 122 Cb -0.14 -2.16 -0.01 0.00 0.00 0.00 0.00 23.12 20.82 2j8m s ALA 122 CO 0.04 -1.39 -0.22 0.42 0.00 0.00 0.00 175.76 174.61 2j8m s ILE 123 N 1.29 2.33 -0.02 0.00 1.01 0.55 -4.94 121.20 121.43 2j8m s ILE 123 Ca -0.02 -0.96 -0.30 0.00 0.00 0.00 0.00 60.65 59.38 2j8m s ILE 123 Cb -0.20 -1.88 -0.08 0.00 0.01 0.00 0.00 42.46 40.31 2j8m s ILE 123 CO -0.00 0.57 1.96 -0.70 0.00 0.00 0.00 174.94 176.76 2j8m s GLU 124 N -0.10 3.99 0.47 2.79 -6.30 -1.26 0.29 118.70 118.57 2j8m s GLU 124 Ca -0.05 2.45 0.33 0.00 -2.50 0.00 0.00 54.97 55.21 2j8m s GLU 124 Cb -0.14 -4.17 1.46 0.00 0.00 0.00 0.00 34.13 31.28 2j8m s GLU 124 CO 0.04 -1.12 1.66 0.77 0.02 0.00 0.00 175.26 176.62 2j8m h SER 125 N 11.14 0.19 0.92 -1.70 0.02 -1.70 0.78 113.55 123.20 2j8m h SER 125 Ca -0.47 0.09 0.00 0.00 -0.84 0.00 0.00 61.79 60.57 2j8m h SER 125 Cb 1.23 0.07 0.00 0.00 0.14 0.00 0.00 62.40 63.84 2j8m h SER 125 CO 0.95 -0.09 0.00 0.61 -1.14 0.00 0.00 176.83 177.16 2j8m n GLY 126 N -1.63 -1.37 3.48 -3.77 0.00 -1.26 -4.46 105.19 96.19 2j8m n GLY 126 Ca 0.36 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.96 2j8m n GLY 126 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2j8m n ASN 127 N -1.98 4.64 -0.34 1.61 2.85 0.26 -4.79 115.26 117.51 2j8m n ASN 127 Ca 0.04 -2.89 -0.01 0.00 -0.11 0.00 0.00 54.58 51.61 2j8m n ASN 127 Cb 0.29 -1.73 0.15 0.00 1.24 0.00 0.00 39.78 39.72 2j8m n ASN 127 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2j8m h ALA 128 N 7.58 1.34 -0.77 5.20 0.00 -1.86 -2.25 119.26 128.51 2j8m h ALA 128 Ca 0.44 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.28 2j8m h ALA 128 Cb 0.85 -0.37 -0.04 0.00 0.00 0.00 0.00 17.79 18.23 2j8m h ALA 128 CO 1.49 0.60 0.45 0.00 0.00 0.00 0.00 179.25 181.79 2j8m h ALA 129 N 1.42 0.98 -0.28 0.00 0.00 -1.98 0.20 119.26 119.60 2j8m h ALA 129 Ca 0.36 -0.10 -0.18 0.00 0.00 0.00 0.00 54.91 54.99 2j8m h ALA 129 Cb -0.10 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.38 2j8m h ALA 129 CO -0.09 0.47 -0.52 1.03 0.00 0.00 0.00 179.25 180.14 2j8m h SER 130 N 1.06 0.92 -0.17 0.00 0.87 -1.90 -1.40 113.55 112.92 2j8m h SER 130 Ca 0.27 -0.48 -0.02 0.00 -1.23 0.00 0.00 61.79 60.34 2j8m h SER 130 Cb -0.01 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 61.68 2j8m h SER 130 CO -0.05 1.26 0.03 0.40 -0.53 0.00 0.00 176.83 177.95 2j8m h ILE 131 N 0.64 1.22 -0.82 2.23 2.04 -1.11 -2.43 117.51 119.27 2j8m h ILE 131 Ca 0.02 -0.69 0.05 0.00 1.00 0.00 0.00 64.86 65.24 2j8m h ILE 131 Cb 1.12 1.35 -0.06 0.00 -0.74 0.00 0.00 36.82 38.49 2j8m h ILE 131 CO 0.11 0.21 0.51 1.23 0.00 0.00 0.00 178.15 180.21 2j8m h GLY 132 N 0.08 1.23 0.96 5.37 0.00 -0.53 0.10 103.07 110.28 2j8m h GLY 132 Ca 0.05 -0.37 0.02 0.00 0.00 0.00 0.00 47.33 47.03 2j8m h GLY 132 CO 0.00 0.27 0.56 -2.00 0.00 0.00 0.00 176.54 175.37 2j8m h LEU 133 N 0.94 0.96 -0.34 3.11 5.85 -1.07 -1.47 115.31 123.30 2j8m h LEU 133 Ca 0.35 -0.02 -0.10 0.00 0.84 0.00 0.00 57.88 58.96 2j8m h LEU 133 Cb 0.13 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 40.92 2j8m h LEU 133 CO -0.16 0.68 -0.18 0.45 -0.34 0.00 0.00 178.44 178.90 2j8m h HIS 134 N 1.13 0.83 -0.58 1.25 3.86 -0.85 -2.71 115.15 118.08 2j8m h HIS 134 Ca 0.32 -0.21 0.05 0.00 -1.16 0.00 0.00 60.37 59.37 2j8m h HIS 134 Cb -0.08 -0.19 -0.05 0.00 1.06 0.00 0.00 27.41 28.15 2j8m h HIS 134 CO -0.02 0.93 0.31 0.00 0.86 0.00 0.00 177.93 180.01 2j8m h ARG 135 N 0.49 0.57 0.00 2.45 2.47 -0.61 -1.32 114.38 118.43 2j8m h ARG 135 Ca 0.07 -0.03 -0.03 0.00 -1.26 0.00 0.00 59.98 58.73 2j8m h ARG 135 Cb 0.72 -0.13 -0.00 0.00 -1.65 0.00 0.00 29.97 28.90 2j8m h ARG 135 CO 0.05 0.38 -0.13 0.00 0.56 0.00 0.00 179.97 180.83 2j8m h ARG 136 N 0.59 0.00 -0.68 0.04 3.08 -1.15 -2.18 114.38 114.07 2j8m h ARG 136 Ca 0.25 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.30 2j8m h ARG 136 Cb 0.15 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.20 2j8m h ARG 136 CO -0.16 0.13 0.00 1.28 -1.07 0.00 0.00 179.97 180.14 2j8m n LEU 137 N -4.00 4.33 0.00 3.04 4.77 -0.64 -4.92 117.00 119.58 2j8m n LEU 137 Ca -0.02 -2.20 0.00 0.00 -0.03 0.00 0.00 56.01 53.76 2j8m n LEU 137 Cb 0.22 -0.61 0.00 0.00 -2.33 0.00 0.00 43.42 40.69 2j8m n LEU 137 CO 0.33 0.55 0.00 0.61 -1.33 0.00 0.00 177.39 177.54 2j8m n GLY 138 N 0.55 0.73 3.77 -0.72 0.00 -0.82 -5.05 105.19 103.65 2j8m n GLY 138 Ca 0.20 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.83 2j8m n GLY 138 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2j8m s PHE 139 N -2.40 3.47 0.11 1.61 0.08 -0.59 -4.78 117.98 115.48 2j8m s PHE 139 Ca 0.00 1.69 0.10 0.00 0.12 0.00 0.00 56.93 58.84 2j8m s PHE 139 Cb 0.00 -3.21 -0.04 0.00 -0.57 0.00 0.00 43.02 39.20 2j8m s PHE 139 CO 0.00 -0.54 -0.26 -1.21 -0.10 0.00 0.00 175.22 173.11 2j8m s GLU 140 N -1.86 1.51 0.09 0.44 2.02 -0.55 -4.11 118.70 116.25 2j8m s GLU 140 Ca 0.50 -1.29 -0.31 0.00 0.02 0.00 0.00 54.97 53.89 2j8m s GLU 140 Cb -0.28 -1.94 -0.07 0.00 0.10 0.00 0.00 34.13 31.94 2j8m s GLU 140 CO 0.35 0.46 1.41 0.42 0.02 0.00 0.00 175.26 177.93 2j8m s ILE 141 N -1.02 3.35 0.00 -1.63 1.01 -1.26 -1.04 121.20 120.60 2j8m s ILE 141 Ca 0.14 0.92 0.00 0.00 0.00 0.00 0.00 60.65 61.71 2j8m s ILE 141 Cb -0.10 -3.59 0.00 0.00 0.01 0.00 0.00 42.46 38.78 2j8m s ILE 141 CO 0.06 0.05 0.49 -1.54 0.00 0.00 0.00 174.94 174.00 2j8m n SER 142 N 4.35 0.62 -3.64 3.58 3.41 0.71 -4.92 113.62 117.74 2j8m n SER 142 Ca 0.12 -1.23 -0.08 0.00 -0.26 0.00 0.00 58.87 57.42 2j8m n SER 142 Cb 0.42 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.30 2j8m n SER 142 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2j8m s GLY 143 N -0.23 -0.23 -0.25 5.00 0.00 -0.91 -4.86 107.32 105.83 2j8m s GLY 143 Ca 0.00 2.66 -0.03 0.00 0.00 0.00 0.00 44.72 47.34 2j8m s GLY 143 CO 0.00 2.06 0.18 1.62 0.00 0.00 0.00 173.10 176.96 2j8m s GLN 144 N 0.66 0.20 -0.30 2.90 2.00 -1.26 0.10 119.66 123.96 2j8m s GLN 144 Ca -0.02 -0.21 0.01 0.00 -2.00 0.00 0.00 55.36 53.14 2j8m s GLN 144 Cb -0.05 -1.17 0.07 0.00 0.80 0.00 0.00 33.01 32.66 2j8m s GLN 144 CO -0.09 -0.89 -0.02 -1.64 -0.50 0.00 0.00 175.29 172.16 2j8m s MET 145 N 2.22 2.18 0.12 1.67 -1.94 0.27 -4.99 119.30 118.82 2j8m s MET 145 Ca 0.07 -1.44 -0.31 0.00 -1.71 0.00 0.00 55.69 52.31 2j8m s MET 145 Cb -0.15 -3.11 -0.07 0.00 2.01 0.00 0.00 34.83 33.51 2j8m s MET 145 CO -0.26 -0.69 1.26 -1.25 -0.01 0.00 0.00 175.02 174.07 2j8m s PRO 146 N 1.13 4.41 -1.31 2.03 0.04 -1.26 -0.96 135.00 139.09 2j8m s PRO 146 Ca -0.03 1.90 -0.09 0.00 0.04 0.00 0.00 61.00 62.82 2j8m s PRO 146 Cb -0.20 -3.28 0.07 0.00 0.04 0.00 0.00 34.50 31.12 2j8m s PRO 146 CO -0.04 -0.26 0.50 1.04 0.04 0.00 0.00 177.00 178.28 2j8m n GLN 147 N 3.46 -3.54 0.00 4.56 6.02 -1.18 -4.85 117.38 121.85 2j8m n GLN 147 Ca 0.08 0.52 0.14 0.00 -0.01 0.00 0.00 57.00 57.73 2j8m n GLN 147 Cb 0.45 -5.24 0.54 0.00 1.02 0.00 0.00 30.24 27.00 2j8m n GLN 147 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 177.06 177.38 2j8m n VAL 148 N -4.00 0.00 -4.27 5.09 0.24 -1.11 -4.81 118.33 109.47 2j8m n VAL 148 Ca -0.02 -0.02 -0.18 0.00 -2.04 0.00 0.00 64.34 62.07 2j8m n VAL 148 Cb 0.55 -0.17 -0.09 0.00 -1.47 0.00 0.00 33.84 32.67 2j8m n VAL 148 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 2j8m s GLY 149 N -2.78 2.17 -0.01 7.63 0.00 -1.07 -5.01 107.32 108.25 2j8m s GLY 149 Ca 0.20 -2.00 -0.24 0.00 0.00 0.00 0.00 44.72 42.67 2j8m s GLY 149 CO 0.55 -1.46 0.54 -0.86 0.00 0.00 0.00 173.10 171.86 2j8m s GLN 150 N -3.59 0.97 -0.19 2.90 -2.07 -1.26 -0.17 119.66 116.26 2j8m s GLN 150 Ca 0.40 -0.02 -0.30 0.00 -1.82 0.00 0.00 55.36 53.62 2j8m s GLN 150 Cb 0.03 0.45 0.14 0.00 -1.09 0.00 0.00 33.01 32.54 2j8m s GLN 150 CO 0.25 -0.32 1.06 0.21 -1.32 0.00 0.00 175.29 175.17 2j8m s LYS 151 N -1.70 0.50 -1.85 9.60 2.20 -0.81 -4.88 119.74 122.80 2j8m s LYS 151 Ca -0.09 0.14 0.00 0.00 -0.36 0.00 0.00 55.97 55.66 2j8m s LYS 151 Cb -0.01 0.24 0.00 0.00 -1.51 0.00 0.00 37.83 36.54 2j8m s LYS 151 CO 0.04 -0.15 0.00 1.19 -0.36 0.00 0.00 175.35 176.07 2j8m n PHE 152 N 0.77 -0.53 -1.06 4.03 3.72 -1.26 -1.62 117.46 121.51 2j8m n PHE 152 Ca -0.09 0.00 -0.02 0.00 -0.05 0.00 0.00 57.45 57.29 2j8m n PHE 152 Cb 0.58 -3.45 -0.01 0.00 -0.94 0.00 0.00 39.48 35.66 2j8m n PHE 152 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2j8m n GLY 153 N -0.62 0.56 3.07 1.37 0.00 -1.26 -5.04 105.19 103.27 2j8m n GLY 153 Ca -0.21 -0.77 -0.11 0.00 0.00 0.00 0.00 46.02 44.94 2j8m n GLY 153 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2j8m s ARG 154 N -1.83 0.57 0.49 1.61 1.70 -0.64 -5.14 118.95 115.71 2j8m s ARG 154 Ca 0.00 -0.92 -0.21 0.00 -0.47 0.00 0.00 55.73 54.13 2j8m s ARG 154 Cb 0.00 -0.13 -0.07 0.00 -0.57 0.00 0.00 34.95 34.18 2j8m s ARG 154 CO 0.00 -0.01 1.12 -1.58 -1.08 0.00 0.00 175.30 173.75 2j8m s TRP 155 N -2.25 2.85 0.04 5.89 0.23 -1.26 -1.93 118.94 122.51 2j8m s TRP 155 Ca -0.04 1.56 0.06 0.00 -2.03 0.00 0.00 56.10 55.65 2j8m s TRP 155 Cb -0.04 -3.26 -0.02 0.00 0.03 0.00 0.00 33.47 30.17 2j8m s TRP 155 CO -0.02 -1.33 -0.17 -0.51 0.96 0.00 0.00 176.95 175.88 2j8m s LEU 156 N -3.40 2.18 0.10 2.99 1.43 0.76 -4.89 118.68 117.85 2j8m s LEU 156 Ca 0.68 -0.49 0.00 0.00 -1.03 0.00 0.00 54.13 53.29 2j8m s LEU 156 Cb -0.24 -0.74 -0.04 0.00 0.03 0.00 0.00 46.19 45.21 2j8m s LEU 156 CO 0.28 0.07 0.25 -1.81 0.23 0.00 0.00 176.35 175.38 2j8m s ASP 157 N -1.20 6.36 -0.06 2.29 -0.00 -1.26 -2.60 116.67 120.20 2j8m s ASP 157 Ca 0.04 0.26 0.05 0.00 -0.00 0.00 0.00 52.55 52.90 2j8m s ASP 157 Cb -0.08 -1.95 -0.01 0.00 -0.00 0.00 0.00 42.92 40.87 2j8m s ASP 157 CO 0.02 0.11 -0.22 -0.22 -0.00 0.00 0.00 175.17 174.86 2j8m s LEU 158 N -2.80 2.23 -0.14 1.23 2.96 -0.13 -1.97 118.68 120.06 2j8m s LEU 158 Ca 0.35 -0.45 -0.00 0.00 -0.22 0.00 0.00 54.13 53.82 2j8m s LEU 158 Cb -0.12 -1.42 -0.01 0.00 0.50 0.00 0.00 46.19 45.13 2j8m s LEU 158 CO 0.28 0.25 -0.14 -0.89 -1.32 0.00 0.00 176.35 174.53 2j8m s THR 159 N -0.18 2.90 -0.12 3.68 2.01 0.15 -0.57 115.64 123.51 2j8m s THR 159 Ca -0.02 -0.70 -0.06 0.00 0.31 0.00 0.00 61.69 61.22 2j8m s THR 159 Cb -0.14 -2.22 -0.04 0.00 0.01 0.00 0.00 72.50 70.11 2j8m s THR 159 CO 0.03 0.52 0.09 -0.36 -0.69 0.00 0.00 174.62 174.21 2j8m s PHE 160 N 0.59 3.44 0.04 4.92 0.40 0.11 -0.33 117.98 127.16 2j8m s PHE 160 Ca -0.08 0.39 0.02 0.00 -0.60 0.00 0.00 56.93 56.66 2j8m s PHE 160 Cb -0.16 -1.91 -0.02 0.00 0.51 0.00 0.00 43.02 41.44 2j8m s PHE 160 CO 0.03 0.61 -0.07 -1.64 0.70 0.00 0.00 175.22 174.85 2j8m s MET 161 N -0.85 0.49 0.07 0.44 -1.94 -0.50 -0.21 119.30 116.79 2j8m s MET 161 Ca 0.14 -0.75 -0.08 0.00 -1.71 0.00 0.00 55.69 53.29 2j8m s MET 161 Cb -0.12 -0.19 -0.00 0.00 2.01 0.00 0.00 34.83 36.52 2j8m s MET 161 CO 0.03 0.02 0.16 1.14 -0.01 0.00 0.00 175.02 176.37 2j8m s GLN 162 N -1.64 0.76 -0.07 2.03 -2.07 -0.21 -0.25 119.66 118.21 2j8m s GLN 162 Ca -0.11 -0.87 -0.00 0.00 -1.82 0.00 0.00 55.36 52.57 2j8m s GLN 162 Cb -0.09 0.31 0.02 0.00 -1.09 0.00 0.00 33.01 32.16 2j8m s GLN 162 CO -0.00 -0.22 -0.04 -1.17 -1.32 0.00 0.00 175.29 172.54 2j8m s LEU 163 N -2.58 1.03 -0.36 2.60 2.96 -0.38 -1.48 118.68 120.47 2j8m s LEU 163 Ca 0.01 -0.15 -0.25 0.00 -0.22 0.00 0.00 54.13 53.52 2j8m s LEU 163 Cb 0.03 -0.54 0.01 0.00 0.50 0.00 0.00 46.19 46.19 2j8m s LEU 163 CO -0.08 -0.12 0.89 0.21 -1.32 0.00 0.00 176.35 175.93 2j8m s ASN 164 N 1.47 6.67 0.49 3.68 3.84 -1.26 -1.55 114.94 128.28 2j8m s ASN 164 Ca -0.02 0.58 0.29 0.00 0.21 0.00 0.00 52.86 53.91 2j8m s ASN 164 Cb -0.13 -2.45 0.96 0.00 -0.55 0.00 0.00 41.25 39.08 2j8m s ASN 164 CO -0.03 -0.80 1.84 -0.07 -2.79 0.00 0.00 177.10 175.24 2j8m h LEU 165 N 9.92 0.00 -5.56 3.21 3.38 -0.27 -3.37 115.31 122.62 2j8m h LEU 165 Ca -0.23 0.00 -0.38 0.00 0.09 0.00 0.00 57.88 57.35 2j8m h LEU 165 Cb 1.08 0.00 -0.27 0.00 0.09 0.00 0.00 40.66 41.57 2j8m h LEU 165 CO 0.96 0.06 -0.78 -0.67 0.09 0.00 0.00 178.44 178.09 2j8m n ASP 166 N -3.15 -1.56 0.32 -0.43 -0.08 -1.25 -4.97 116.55 105.43 2j8m n ASP 166 Ca 0.02 -2.89 0.21 0.00 -1.51 0.00 0.00 54.79 50.61 2j8m n ASP 166 Cb 0.40 0.60 1.09 0.00 2.34 0.00 0.00 41.12 45.56 2j8m n ASP 166 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 2j8m h PRO 167 N 4.40 0.00 -0.00 -0.67 0.13 -1.91 -2.42 132.00 131.53 2j8m h PRO 167 Ca 0.02 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.15 2j8m h PRO 167 Cb 0.97 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.10 2j8m h PRO 167 CO 0.33 0.01 -0.09 0.25 -0.23 0.00 0.00 178.00 178.27 2j8m n THR 168 N -3.19 0.00 -2.87 1.56 -2.24 -1.26 -4.63 114.28 101.64 2j8m n THR 168 Ca -0.02 -0.06 -0.43 0.00 -2.27 0.00 0.00 64.05 61.26 2j8m n THR 168 Cb 0.11 -0.11 -0.04 0.00 -2.10 0.00 0.00 70.33 68.19 2j8m n THR 168 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 2j8m s ARG 169 N -2.41 3.17 0.50 -0.78 3.52 -0.91 -4.90 118.95 117.13 2j8m s ARG 169 Ca 0.31 -0.68 0.28 0.00 -0.13 0.00 0.00 55.73 55.51 2j8m s ARG 169 Cb 0.20 -4.17 1.31 0.00 -1.56 0.00 0.00 34.95 30.73 2j8m s ARG 169 CO 0.46 -1.68 1.99 0.66 -0.81 0.00 0.00 175.30 175.92 2j8m h SER 170 N 9.45 0.00 -5.05 -2.12 4.64 -1.88 -3.45 113.55 115.14 2j8m h SER 170 Ca -0.28 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 60.91 2j8m h SER 170 Cb 1.07 0.00 -0.19 0.00 -0.31 0.00 0.00 62.40 62.98 2j8m h SER 170 CO 1.14 0.14 -0.51 0.00 -0.87 0.00 0.00 176.83 176.73 2j8m s ALA 171 N -3.96 -0.15 -2.00 5.18 0.00 -1.26 -5.24 121.76 114.34 2j8m s ALA 171 Ca -0.01 -0.42 0.02 0.00 0.00 0.00 0.00 51.96 51.55 2j8m s ALA 171 Cb 0.12 0.21 0.13 0.00 0.00 0.00 0.00 23.12 23.58 2j8m s ALA 171 CO 0.59 -0.28 0.62 -0.35 0.00 0.00 0.00 175.76 176.34