#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2j8r s SER 4 N 0.00 3.85 -0.15 0.00 1.04 -0.10 -4.91 113.70 113.43 2j8r s SER 4 Ca 0.00 -0.48 -0.06 0.00 0.48 0.00 0.00 55.95 55.89 2j8r s SER 4 Cb 0.00 -0.59 -0.04 0.00 0.10 0.00 0.00 66.02 65.49 2j8r s SER 4 CO 0.00 0.22 0.05 -0.63 0.98 0.00 0.00 173.24 173.86 2j8r s ILE 5 N -1.03 4.70 0.23 -1.02 -1.09 -1.26 -0.48 121.20 121.25 2j8r s ILE 5 Ca 0.16 -0.08 -0.14 0.00 -2.23 0.00 0.00 60.65 58.37 2j8r s ILE 5 Cb -0.11 -3.08 0.00 0.00 -1.58 0.00 0.00 42.46 37.70 2j8r s ILE 5 CO 0.08 0.51 0.48 0.00 -1.23 0.00 0.00 174.94 174.78 2j8r s ARG 6 N -0.02 1.48 0.41 2.79 1.70 -0.84 -4.99 118.95 119.48 2j8r s ARG 6 Ca 0.06 -1.13 -0.24 0.00 -0.47 0.00 0.00 55.73 53.94 2j8r s ARG 6 Cb -0.12 0.48 -0.08 0.00 -0.57 0.00 0.00 34.95 34.66 2j8r s ARG 6 CO 0.01 -0.62 1.13 -0.51 -1.08 0.00 0.00 175.30 174.24 2j8r s ASP 7 N -2.97 6.52 0.39 -2.89 1.01 -1.26 -0.76 116.67 116.71 2j8r s ASP 7 Ca 0.18 2.24 -0.24 0.00 0.71 0.00 0.00 52.55 55.44 2j8r s ASP 7 Cb -0.01 -2.60 -0.09 0.00 1.01 0.00 0.00 42.92 41.23 2j8r s ASP 7 CO 0.05 -0.67 1.04 0.00 0.21 0.00 0.00 175.17 175.79 2j8r s ALA 8 N -1.51 3.09 0.41 5.23 0.00 0.11 -4.76 121.76 124.34 2j8r s ALA 8 Ca 0.59 0.67 0.07 0.00 0.00 0.00 0.00 51.96 53.28 2j8r s ALA 8 Cb -0.28 -3.26 -0.08 0.00 0.00 0.00 0.00 23.12 19.51 2j8r s ALA 8 CO 0.34 -0.16 0.02 0.20 0.00 0.00 0.00 175.76 176.16 2j8r s GLY 9 N -1.60 2.52 0.40 0.00 0.00 -1.26 -4.98 107.32 102.40 2j8r s GLY 9 Ca 0.57 -2.21 0.13 0.00 0.00 0.00 0.00 44.72 43.21 2j8r s GLY 9 CO 0.26 -2.09 1.89 -2.08 0.00 0.00 0.00 173.10 171.08 2j8r h VAL 10 N 1.73 0.80 0.00 1.40 2.07 -2.03 0.36 116.25 120.58 2j8r h VAL 10 Ca -0.44 -0.18 0.00 0.00 0.82 0.00 0.00 66.70 66.90 2j8r h VAL 10 Cb 1.24 0.22 0.00 0.00 -1.52 0.00 0.00 31.29 31.24 2j8r h VAL 10 CO 0.80 0.10 0.00 0.00 0.02 0.00 0.00 177.57 178.49 2j8r n ALA 11 N -2.48 1.44 0.84 1.67 0.00 -1.26 -1.98 120.51 118.73 2j8r n ALA 11 Ca 0.16 0.12 0.12 0.00 0.00 0.00 0.00 53.44 53.84 2j8r n ALA 11 Cb 0.52 -1.35 0.21 0.00 0.00 0.00 0.00 19.45 18.83 2j8r n ALA 11 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2j8r n ASP 12 N -2.22 0.56 -0.32 0.00 8.00 0.11 -4.33 116.55 118.35 2j8r n ASP 12 Ca 0.01 -0.13 -0.00 0.00 0.71 0.00 0.00 54.79 55.38 2j8r n ASP 12 Cb 0.16 0.26 0.13 0.00 -0.02 0.00 0.00 41.12 41.65 2j8r n ASP 12 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 2j8r h LEU 13 N 0.00 0.89 -1.07 0.64 3.38 -1.45 -1.05 115.31 116.64 2j8r h LEU 13 Ca 0.00 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2j8r h LEU 13 Cb 0.59 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 41.11 2j8r h LEU 13 CO 0.00 0.59 0.58 -0.65 0.09 0.00 0.00 178.44 179.05 2j8r h PRO 14 N 1.03 1.20 -0.32 1.13 0.11 -1.79 0.23 132.00 133.60 2j8r h PRO 14 Ca 0.36 -0.09 -0.16 0.00 0.11 0.00 0.00 66.00 66.22 2j8r h PRO 14 Cb 0.09 -0.26 -0.00 0.00 0.11 0.00 0.00 31.00 30.93 2j8r h PRO 14 CO -0.15 0.81 -0.45 0.78 -0.21 0.00 0.00 178.00 178.78 2j8r h GLY 15 N 1.24 0.91 0.97 -0.55 0.00 -1.71 -2.20 103.07 101.74 2j8r h GLY 15 Ca 0.33 -0.98 -0.04 0.00 0.00 0.00 0.00 47.33 46.64 2j8r h GLY 15 CO -0.07 0.88 0.15 -2.22 0.00 0.00 0.00 176.54 175.29 2j8r h ILE 16 N 0.67 1.23 -0.55 2.60 2.04 -0.74 -2.45 117.51 120.30 2j8r h ILE 16 Ca 0.04 -0.78 0.04 0.00 1.00 0.00 0.00 64.86 65.16 2j8r h ILE 16 Cb 1.04 0.79 -0.04 0.00 -0.74 0.00 0.00 36.82 37.87 2j8r h ILE 16 CO 0.10 0.28 0.31 0.25 0.00 0.00 0.00 178.15 179.10 2j8r h LEU 17 N 0.68 0.48 -0.63 1.44 5.85 -0.45 -0.19 115.31 122.48 2j8r h LEU 17 Ca 0.16 0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.88 2j8r h LEU 17 Cb 0.28 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.20 2j8r h LEU 17 CO -0.00 0.33 0.31 0.00 -0.34 0.00 0.00 178.44 178.73 2j8r h ALA 18 N 1.27 0.81 -0.38 1.25 0.00 -1.22 -0.29 119.26 120.70 2j8r h ALA 18 Ca 0.23 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.97 2j8r h ALA 18 Cb 0.09 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 2j8r h ALA 18 CO -0.13 0.37 0.05 0.82 0.00 0.00 0.00 179.25 180.36 2j8r h ILE 19 N 0.87 1.24 0.00 0.00 2.04 -1.05 -1.91 117.51 118.70 2j8r h ILE 19 Ca 0.22 -0.88 -0.00 0.00 1.00 0.00 0.00 64.86 65.20 2j8r h ILE 19 Cb 0.11 1.07 0.00 0.00 -0.74 0.00 0.00 36.82 37.26 2j8r h ILE 19 CO -0.03 0.30 -0.00 0.22 0.00 0.00 0.00 178.15 178.64 2j8r h TYR 20 N 0.48 -0.00 0.00 1.37 3.20 -0.81 -2.01 116.97 119.19 2j8r h TYR 20 Ca 0.11 -0.00 -0.03 0.00 3.14 0.00 0.00 58.73 61.95 2j8r h TYR 20 Cb 0.38 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 38.65 2j8r h TYR 20 CO 0.03 0.06 -0.16 -0.91 -1.64 0.00 0.00 178.16 175.54 2j8r h ASN 21 N -0.07 0.00 -0.14 -2.11 2.35 -1.02 -0.30 115.58 114.29 2j8r h ASN 21 Ca -0.00 0.00 -0.20 0.00 -0.55 0.00 0.00 56.30 55.55 2j8r h ASN 21 Cb 0.07 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.44 2j8r h ASN 21 CO 0.00 0.16 -0.68 -0.78 -1.65 0.00 0.00 177.43 174.48 2j8r h ASP 22 N 0.00 0.89 -0.62 5.81 1.82 -1.05 -1.09 116.42 122.18 2j8r h ASP 22 Ca -0.00 -0.54 -0.08 0.00 -0.39 0.00 0.00 57.03 56.02 2j8r h ASP 22 Cb 0.42 -0.26 -0.02 0.00 0.68 0.00 0.00 39.33 40.14 2j8r h ASP 22 CO 0.02 1.33 0.07 0.00 -1.61 0.00 0.00 179.24 179.05 2j8r h ALA 23 N 0.67 0.83 -0.33 -0.78 0.00 -0.63 0.51 119.26 119.54 2j8r h ALA 23 Ca -0.02 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.60 2j8r h ALA 23 Cb 1.29 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.83 2j8r h ALA 23 CO 0.14 0.61 0.17 0.28 0.00 0.00 0.00 179.25 180.45 2j8r h VAL 24 N 0.95 1.14 0.00 0.00 2.07 -0.92 -1.40 116.25 118.09 2j8r h VAL 24 Ca 0.18 -0.38 -0.12 0.00 0.82 0.00 0.00 66.70 67.21 2j8r h VAL 24 Cb 0.47 0.80 -0.02 0.00 -1.52 0.00 0.00 31.29 31.03 2j8r h VAL 24 CO 0.02 0.14 -0.67 1.23 0.02 0.00 0.00 177.57 178.32 2j8r h GLY 25 N 0.40 0.00 -0.00 2.17 0.00 -1.06 -3.41 103.07 101.17 2j8r h GLY 25 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.44 2j8r h GLY 25 CO -0.02 0.00 -0.00 0.70 0.00 0.00 0.00 176.54 177.22 2j8r n ASN 26 N -3.16 0.35 -3.89 0.19 3.02 0.16 -5.09 115.26 106.83 2j8r n ASN 26 Ca 0.00 -0.68 -0.26 0.00 -0.03 0.00 0.00 54.58 53.62 2j8r n ASN 26 Cb 0.75 0.66 -0.08 0.00 -0.61 0.00 0.00 39.78 40.50 2j8r n ASN 26 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 2j8r s THR 27 N -0.66 0.40 -0.40 3.41 -4.23 -0.53 -5.03 115.64 108.60 2j8r s THR 27 Ca 0.00 -2.00 0.15 0.00 -1.18 0.00 0.00 61.69 58.66 2j8r s THR 27 Cb 0.00 -2.30 0.49 0.00 1.34 0.00 0.00 72.50 72.02 2j8r s THR 27 CO 0.00 0.00 1.40 0.35 -0.54 0.00 0.00 174.62 175.83 2j8r n THR 28 N -0.91 1.97 0.15 3.99 -2.24 -1.26 -4.50 114.28 111.47 2j8r n THR 28 Ca -0.04 -1.62 0.01 0.00 -2.27 0.00 0.00 64.05 60.13 2j8r n THR 28 Cb 0.64 -0.05 0.21 0.00 -2.10 0.00 0.00 70.33 69.03 2j8r n THR 28 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2j8r h ALA 29 N 1.99 0.93 -3.27 6.98 0.00 -1.96 -3.42 119.26 120.51 2j8r h ALA 29 Ca 0.00 -0.49 -0.48 0.00 0.00 0.00 0.00 54.91 53.94 2j8r h ALA 29 Cb 1.28 -0.09 -0.36 0.00 0.00 0.00 0.00 17.79 18.62 2j8r h ALA 29 CO 0.18 0.67 -0.79 -1.50 0.00 0.00 0.00 179.25 177.81 2j8r s ILE 30 N -3.53 0.76 -1.35 0.00 1.10 -1.26 -4.91 121.20 112.01 2j8r s ILE 30 Ca -0.00 -0.16 -0.07 0.00 -0.51 0.00 0.00 60.65 59.91 2j8r s ILE 30 Cb 0.12 -0.81 0.05 0.00 0.15 0.00 0.00 42.46 41.96 2j8r s ILE 30 CO 0.73 0.31 2.61 0.79 -2.11 0.00 0.00 174.94 177.27 2j8r n TRP 31 N 4.74 2.44 -4.14 3.50 7.02 -1.26 -4.77 117.44 124.97 2j8r n TRP 31 Ca -0.14 -2.84 -0.15 0.00 -1.02 0.00 0.00 57.50 53.35 2j8r n TRP 31 Cb 0.50 -2.01 -0.13 0.00 -2.42 0.00 0.00 31.31 27.25 2j8r n TRP 31 CO 0.00 0.00 0.00 -0.80 -2.02 0.00 0.00 177.69 174.87 2j8r s ASN 32 N 0.95 0.71 0.00 -0.99 0.01 -1.26 -5.02 114.94 109.34 2j8r s ASN 32 Ca 0.59 -0.24 0.06 0.00 -0.71 0.00 0.00 52.86 52.56 2j8r s ASN 32 Cb 0.20 -0.04 -0.04 0.00 0.41 0.00 0.00 41.25 41.78 2j8r s ASN 32 CO -0.09 -0.02 0.36 -0.62 -1.51 0.00 0.00 177.10 175.23 2j8r n GLU 33 N 2.47 3.80 -3.52 -0.60 1.02 -1.26 -4.71 120.64 117.85 2j8r n GLU 33 Ca -0.16 -0.22 -0.37 0.00 -0.02 0.00 0.00 57.16 56.39 2j8r n GLU 33 Cb 0.57 -0.86 -0.08 0.00 -0.02 0.00 0.00 31.44 31.04 2j8r n GLU 33 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 2j8r s THR 34 N -1.31 5.28 0.75 2.62 2.01 -1.26 -4.81 115.64 118.92 2j8r s THR 34 Ca 0.04 0.46 -0.11 0.00 0.31 0.00 0.00 61.69 62.39 2j8r s THR 34 Cb 0.05 -3.62 0.05 0.00 0.01 0.00 0.00 72.50 68.98 2j8r s THR 34 CO 0.20 0.30 1.09 -2.16 -0.69 0.00 0.00 174.62 173.36 2j8r s PRO 35 N 1.17 2.39 0.41 4.92 0.04 -1.26 -5.04 135.00 137.63 2j8r s PRO 35 Ca 0.14 1.16 0.07 0.00 0.04 0.00 0.00 61.00 62.41 2j8r s PRO 35 Cb -0.14 -1.91 -0.05 0.00 0.04 0.00 0.00 34.50 32.44 2j8r s PRO 35 CO 0.06 -1.54 0.19 0.14 0.04 0.00 0.00 177.00 175.89 2j8r s VAL 36 N -2.88 2.31 0.50 -0.36 -7.23 -1.26 -5.15 120.40 106.33 2j8r s VAL 36 Ca 0.61 -1.68 0.06 0.00 -1.81 0.00 0.00 61.98 59.16 2j8r s VAL 36 Cb -0.17 -2.99 0.01 0.00 0.56 0.00 0.00 36.38 33.79 2j8r s VAL 36 CO 0.55 0.00 0.31 1.51 -0.31 0.00 0.00 175.10 177.16 2j8r s ASP 37 N -3.92 4.58 0.22 4.85 3.84 -1.26 -4.99 116.67 120.00 2j8r s ASP 37 Ca 0.41 -1.20 -0.07 0.00 -0.00 0.00 0.00 52.55 51.69 2j8r s ASP 37 Cb 0.03 0.13 0.31 0.00 -1.38 0.00 0.00 42.92 42.02 2j8r s ASP 37 CO 0.23 -0.91 1.80 0.25 -0.00 0.00 0.00 175.17 176.54 2j8r h LEU 38 N 0.99 0.57 -0.95 2.11 5.85 -1.99 -1.58 115.31 120.30 2j8r h LEU 38 Ca -0.39 0.04 0.08 0.00 0.84 0.00 0.00 57.88 58.45 2j8r h LEU 38 Cb 1.29 -0.06 -0.07 0.00 0.37 0.00 0.00 40.66 42.18 2j8r h LEU 38 CO 0.62 0.34 0.60 0.00 -0.34 0.00 0.00 178.44 179.66 2j8r h ALA 39 N 1.40 1.35 -0.31 1.25 0.00 -1.98 0.16 119.26 121.13 2j8r h ALA 39 Ca 0.34 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.25 2j8r h ALA 39 Cb 0.28 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 2j8r h ALA 39 CO -0.22 0.33 0.19 -0.97 0.00 0.00 0.00 179.25 178.58 2j8r h ASN 40 N 1.05 0.36 0.72 0.00 -0.73 -1.69 -0.59 115.58 114.70 2j8r h ASN 40 Ca 0.43 -0.03 -0.09 0.00 1.87 0.00 0.00 56.30 58.48 2j8r h ASN 40 Cb 0.25 -0.09 -0.01 0.00 0.27 0.00 0.00 38.32 38.74 2j8r h ASN 40 CO -0.20 0.28 -0.42 0.03 -0.37 0.00 0.00 177.43 176.75 2j8r h ARG 41 N 0.40 0.00 -0.39 6.67 2.47 -0.94 -1.83 114.38 120.77 2j8r h ARG 41 Ca 0.11 0.00 -0.14 0.00 -1.26 0.00 0.00 59.98 58.69 2j8r h ARG 41 Cb -0.02 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.30 2j8r h ARG 41 CO -0.02 0.42 -0.32 0.37 0.56 0.00 0.00 179.97 180.98 2j8r h GLN 42 N 0.00 0.90 -0.55 0.04 5.75 -0.27 0.66 115.11 121.63 2j8r h GLN 42 Ca -0.00 -0.45 -0.05 0.00 -0.15 0.00 0.00 58.65 58.00 2j8r h GLN 42 Cb 0.90 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 29.43 2j8r h GLN 42 CO 0.06 1.10 0.15 0.00 -2.65 0.00 0.00 178.83 177.48 2j8r h ALA 43 N 0.78 0.73 -0.49 3.38 0.00 -0.88 -1.11 119.26 121.66 2j8r h ALA 43 Ca 0.07 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 2j8r h ALA 43 Cb 0.90 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 2j8r h ALA 43 CO 0.08 0.42 0.29 2.35 0.00 0.00 0.00 179.25 182.39 2j8r h TRP 44 N 0.78 0.66 -0.55 0.00 7.01 -1.21 0.12 115.95 122.75 2j8r h TRP 44 Ca 0.17 -0.01 0.04 0.00 2.11 0.00 0.00 58.89 61.21 2j8r h TRP 44 Cb 0.32 -0.22 -0.04 0.00 -2.10 0.00 0.00 29.16 27.13 2j8r h TRP 44 CO 0.02 0.48 0.31 0.35 -2.79 0.00 0.00 178.44 176.80 2j8r h PHE 45 N 0.66 0.57 -0.17 2.65 3.57 -0.52 -1.28 116.94 122.41 2j8r h PHE 45 Ca 0.18 0.02 -0.16 0.00 3.53 0.00 0.00 57.97 61.53 2j8r h PHE 45 Cb 0.02 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 38.58 2j8r h PHE 45 CO -0.02 0.29 -0.57 -0.44 -2.23 0.00 0.00 178.31 175.33 2j8r h ASP 46 N 0.59 0.59 -0.61 0.41 3.32 -0.78 -2.48 116.42 117.46 2j8r h ASP 46 Ca 0.24 -0.32 -0.03 0.00 0.02 0.00 0.00 57.03 56.93 2j8r h ASP 46 Cb 0.10 -0.17 -0.03 0.00 0.22 0.00 0.00 39.33 39.46 2j8r h ASP 46 CO -0.14 1.04 0.27 0.00 -1.72 0.00 0.00 179.24 178.68 2j8r h ALA 47 N 0.97 0.80 -0.26 3.45 0.00 -0.40 -0.92 119.26 122.90 2j8r h ALA 47 Ca 0.00 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.73 2j8r h ALA 47 Cb 1.12 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 2j8r h ALA 47 CO 0.11 0.39 0.06 0.00 0.00 0.00 0.00 179.25 179.81 2j8r h ARG 48 N 0.85 0.41 -0.94 0.00 2.47 -1.19 -2.40 114.38 113.58 2j8r h ARG 48 Ca 0.21 -0.10 0.02 0.00 -1.26 0.00 0.00 59.98 58.84 2j8r h ARG 48 Cb 0.17 -0.05 -0.05 0.00 -1.65 0.00 0.00 29.97 28.39 2j8r h ARG 48 CO -0.02 0.51 0.62 0.00 0.56 0.00 0.00 179.97 181.64 2j8r h ALA 49 N 0.89 1.20 -0.76 0.04 0.00 -1.28 -0.52 119.26 118.83 2j8r h ALA 49 Ca 0.08 -0.06 0.02 0.00 0.00 0.00 0.00 54.91 54.95 2j8r h ALA 49 Cb 0.28 -0.37 -0.04 0.00 0.00 0.00 0.00 17.79 17.66 2j8r h ALA 49 CO 0.00 0.56 0.50 -0.09 0.00 0.00 0.00 179.25 180.22 2j8r h ARG 50 N 1.25 0.96 -0.00 0.00 2.43 -0.91 -1.66 114.38 116.44 2j8r h ARG 50 Ca 0.35 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.46 2j8r h ARG 50 Cb -0.11 -0.22 0.00 0.00 -0.42 0.00 0.00 29.97 29.23 2j8r h ARG 50 CO -0.09 0.64 -0.28 1.04 -1.51 0.00 0.00 179.97 179.77 2j8r n GLN 51 N -4.43 0.35 -1.02 0.20 6.02 -0.80 -4.93 117.38 112.77 2j8r n GLN 51 Ca 0.09 -0.17 -0.01 0.00 -0.01 0.00 0.00 57.00 56.91 2j8r n GLN 51 Cb 0.07 -1.50 -0.00 0.00 1.02 0.00 0.00 30.24 29.83 2j8r n GLN 51 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2j8r n GLY 52 N 1.41 0.47 3.78 1.08 0.00 -0.39 -5.02 105.19 106.51 2j8r n GLY 52 Ca 0.09 -0.60 -0.39 0.00 0.00 0.00 0.00 46.02 45.13 2j8r n GLY 52 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2j8r s TYR 53 N -2.00 3.69 0.55 1.61 4.12 -0.34 -5.00 117.35 119.98 2j8r s TYR 53 Ca 0.00 1.15 -0.16 0.00 0.02 0.00 0.00 57.07 58.08 2j8r s TYR 53 Cb 0.00 -2.54 -0.06 0.00 -1.52 0.00 0.00 41.96 37.84 2j8r s TYR 53 CO 0.00 0.41 1.01 -1.25 0.02 0.00 0.00 175.55 175.74 2j8r s PRO 54 N -0.39 3.73 -0.16 -1.71 0.04 -1.26 -4.18 135.00 131.07 2j8r s PRO 54 Ca 0.29 0.99 -0.02 0.00 0.04 0.00 0.00 61.00 62.30 2j8r s PRO 54 Cb -0.18 -2.10 0.05 0.00 0.04 0.00 0.00 34.50 32.31 2j8r s PRO 54 CO 0.16 -0.46 -0.00 0.42 0.04 0.00 0.00 177.00 177.16 2j8r s ILE 55 N -2.67 0.71 0.16 0.56 1.01 -1.26 -3.77 121.20 115.94 2j8r s ILE 55 Ca 0.59 -0.47 0.07 0.00 0.00 0.00 0.00 60.65 60.84 2j8r s ILE 55 Cb -0.12 -1.04 -0.04 0.00 0.01 0.00 0.00 42.46 41.27 2j8r s ILE 55 CO 0.36 -0.01 -0.00 -0.76 0.00 0.00 0.00 174.94 174.52 2j8r s LEU 56 N 1.79 3.33 0.03 2.97 1.43 0.55 -0.71 118.68 128.08 2j8r s LEU 56 Ca 0.00 -0.36 0.03 0.00 -1.03 0.00 0.00 54.13 52.77 2j8r s LEU 56 Cb -0.16 -2.00 -0.02 0.00 0.03 0.00 0.00 46.19 44.05 2j8r s LEU 56 CO -0.07 0.10 -0.09 0.68 0.23 0.00 0.00 176.35 177.20 2j8r s VAL 57 N -1.65 0.64 -0.22 -1.59 -7.23 0.06 -0.94 120.40 109.47 2j8r s VAL 57 Ca 0.27 -0.90 -0.14 0.00 -1.81 0.00 0.00 61.98 59.41 2j8r s VAL 57 Cb -0.10 -0.65 -0.04 0.00 0.56 0.00 0.00 36.38 36.15 2j8r s VAL 57 CO 0.18 -0.20 0.30 0.00 -0.31 0.00 0.00 175.10 175.07 2j8r s ALA 58 N -1.01 3.58 0.21 1.32 0.00 0.38 -1.98 121.76 124.25 2j8r s ALA 58 Ca -0.05 -0.70 0.00 0.00 0.00 0.00 0.00 51.96 51.21 2j8r s ALA 58 Cb -0.08 -2.51 -0.04 0.00 0.00 0.00 0.00 23.12 20.49 2j8r s ALA 58 CO 0.01 -0.28 0.09 0.45 0.00 0.00 0.00 175.76 176.02 2j8r s SER 59 N 1.10 0.68 0.26 0.00 0.15 0.37 -0.58 113.70 115.67 2j8r s SER 59 Ca 0.14 -1.33 0.02 0.00 0.70 0.00 0.00 55.95 55.47 2j8r s SER 59 Cb -0.14 0.26 0.02 0.00 -1.71 0.00 0.00 66.02 64.44 2j8r s SER 59 CO 0.07 -0.75 0.13 -0.90 1.20 0.00 0.00 173.24 172.99 2j8r n ASP 60 N -0.31 2.11 -0.31 5.45 5.68 -1.21 -0.92 116.55 127.04 2j8r n ASP 60 Ca -0.01 -1.96 0.05 0.00 -0.50 0.00 0.00 54.79 52.37 2j8r n ASP 60 Cb 0.65 0.04 0.25 0.00 -1.14 0.00 0.00 41.12 40.93 2j8r n ASP 60 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2j8r h ALA 61 N 0.85 1.54 0.00 2.12 0.00 -2.00 0.53 119.26 122.30 2j8r h ALA 61 Ca -0.18 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 2j8r h ALA 61 Cb 0.61 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 2j8r h ALA 61 CO 0.29 0.30 -0.03 0.00 0.00 0.00 0.00 179.25 179.81 2j8r h ALA 62 N 1.52 1.00 0.00 0.00 0.00 -2.05 -3.46 119.26 116.26 2j8r h ALA 62 Ca 0.41 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.29 2j8r h ALA 62 Cb 0.28 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.06 2j8r h ALA 62 CO -0.17 0.04 0.00 0.41 0.00 0.00 0.00 179.25 179.53 2j8r n GLY 63 N 0.15 0.80 3.78 0.00 0.00 0.18 -5.06 105.19 105.04 2j8r n GLY 63 Ca 0.01 -0.19 -0.37 0.00 0.00 0.00 0.00 46.02 45.46 2j8r n GLY 63 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2j8r s GLU 64 N -0.68 4.27 -0.46 1.61 2.12 -1.26 -4.81 118.70 119.49 2j8r s GLU 64 Ca 0.00 1.56 -0.24 0.00 0.36 0.00 0.00 54.97 56.65 2j8r s GLU 64 Cb 0.00 -2.67 0.03 0.00 0.26 0.00 0.00 34.13 31.75 2j8r s GLU 64 CO 0.00 -0.06 0.86 0.08 -0.54 0.00 0.00 175.26 175.60 2j8r s VAL 65 N -1.56 4.55 -0.78 3.70 1.01 -1.26 -3.29 120.40 122.76 2j8r s VAL 65 Ca 0.55 0.55 0.23 0.00 0.00 0.00 0.00 61.98 63.31 2j8r s VAL 65 Cb -0.24 -4.39 -0.09 0.00 0.00 0.00 0.00 36.38 31.67 2j8r s VAL 65 CO 0.30 -0.80 1.14 0.18 0.00 0.00 0.00 175.10 175.91 2j8r n LEU 66 N 6.97 0.64 0.00 3.92 4.77 0.25 -4.90 117.00 128.65 2j8r n LEU 66 Ca 0.04 -0.07 0.00 0.00 -0.03 0.00 0.00 56.01 55.95 2j8r n LEU 66 Cb 0.48 -0.13 0.00 0.00 -2.33 0.00 0.00 43.42 41.44 2j8r n LEU 66 CO 0.62 0.09 0.00 0.61 -1.33 0.00 0.00 177.39 177.38 2j8r n GLY 67 N 1.42 1.14 3.44 -0.72 0.00 -1.21 -1.07 105.19 108.19 2j8r n GLY 67 Ca 0.03 -0.82 -0.09 0.00 0.00 0.00 0.00 46.02 45.14 2j8r n GLY 67 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2j8r s TYR 68 N -2.00 0.30 0.01 1.61 -0.85 0.47 -0.47 117.35 116.41 2j8r s TYR 68 Ca 0.00 -0.65 -0.22 0.00 -0.52 0.00 0.00 57.07 55.67 2j8r s TYR 68 Cb 0.00 0.09 0.05 0.00 0.38 0.00 0.00 41.96 42.48 2j8r s TYR 68 CO 0.00 -0.83 0.50 0.00 -1.52 0.00 0.00 175.55 173.70 2j8r s ALA 69 N -3.96 -1.28 0.24 9.51 0.00 -0.12 -0.40 121.76 125.74 2j8r s ALA 69 Ca 0.17 0.68 -0.21 0.00 0.00 0.00 0.00 51.96 52.60 2j8r s ALA 69 Cb 0.01 0.23 0.07 0.00 0.00 0.00 0.00 23.12 23.43 2j8r s ALA 69 CO 0.02 -0.42 0.95 0.45 0.00 0.00 0.00 175.76 176.77 2j8r s SER 70 N -1.67 -0.03 0.10 0.00 0.15 -0.62 -0.33 113.70 111.31 2j8r s SER 70 Ca -0.08 -0.76 -0.14 0.00 0.70 0.00 0.00 55.95 55.67 2j8r s SER 70 Cb -0.01 0.60 0.02 0.00 -1.71 0.00 0.00 66.02 64.92 2j8r s SER 70 CO 0.02 -1.18 0.32 -0.72 1.20 0.00 0.00 173.24 172.89 2j8r s TYR 71 N -2.39 -0.09 0.21 3.44 1.13 -1.25 -0.47 117.35 117.93 2j8r s TYR 71 Ca 0.19 -0.23 -0.03 0.00 -1.41 0.00 0.00 57.07 55.58 2j8r s TYR 71 Cb -0.03 0.14 0.01 0.00 -1.10 0.00 0.00 41.96 40.98 2j8r s TYR 71 CO 0.07 -0.62 0.34 0.41 -2.51 0.00 0.00 175.55 173.24 2j8r n GLY 72 N -0.03 2.17 3.76 5.49 0.00 -0.59 -4.72 105.19 111.27 2j8r n GLY 72 Ca -0.16 -1.40 -0.39 0.00 0.00 0.00 0.00 46.02 44.07 2j8r n GLY 72 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2j8r s ASP 73 N -2.25 5.61 -0.15 1.61 1.01 -1.26 -0.64 116.67 120.60 2j8r s ASP 73 Ca 0.14 2.84 -0.12 0.00 0.71 0.00 0.00 52.55 56.13 2j8r s ASP 73 Cb -0.01 -2.64 -0.08 0.00 1.01 0.00 0.00 42.92 41.19 2j8r s ASP 73 CO 0.10 -1.35 -0.01 -0.25 0.21 0.00 0.00 175.17 173.87 2j8r h TRP 74 N 1.94 0.00 -4.11 4.23 7.01 -1.88 -3.40 115.95 119.74 2j8r h TRP 74 Ca -0.51 0.00 -0.50 0.00 2.11 0.00 0.00 58.89 59.99 2j8r h TRP 74 Cb 1.28 0.00 -0.26 0.00 -2.10 0.00 0.00 29.16 28.08 2j8r h TRP 74 CO 0.48 0.43 -0.81 1.03 -2.79 0.00 0.00 178.44 176.77 2j8r s ARG 75 N -2.19 1.14 -1.31 2.65 0.52 -1.26 -4.97 118.95 113.53 2j8r s ARG 75 Ca -0.17 -0.80 -0.08 0.00 -0.52 0.00 0.00 55.73 54.16 2j8r s ARG 75 Cb 0.03 -1.18 -0.08 0.00 0.52 0.00 0.00 34.95 34.24 2j8r s ARG 75 CO 0.31 0.30 2.63 -0.35 0.02 0.00 0.00 175.30 178.21 2j8r n PRO 76 N 1.97 3.01 -3.80 3.54 -0.04 -1.26 -4.75 135.00 133.68 2j8r n PRO 76 Ca -0.17 -1.87 -0.13 0.00 -0.04 0.00 0.00 63.50 61.29 2j8r n PRO 76 Cb 0.54 -2.64 -0.12 0.00 -0.04 0.00 0.00 33.50 31.24 2j8r n PRO 76 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 2j8r s PHE 77 N 2.65 -0.24 0.36 0.54 0.40 -1.26 -5.05 117.98 115.38 2j8r s PHE 77 Ca 0.57 0.60 0.14 0.00 -0.60 0.00 0.00 56.93 57.64 2j8r s PHE 77 Cb 0.15 0.08 0.98 0.00 0.51 0.00 0.00 43.02 44.75 2j8r s PHE 77 CO -0.05 -0.12 1.76 0.93 0.70 0.00 0.00 175.22 178.44 2j8r h GLU 78 N 5.80 0.49 0.00 0.44 5.08 -2.04 -1.67 114.58 122.68 2j8r h GLU 78 Ca -0.26 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.07 2j8r h GLU 78 Cb 1.19 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.33 2j8r h GLU 78 CO 0.37 0.32 0.00 0.78 -1.00 0.00 0.00 179.01 179.48 2j8r h GLY 79 N 0.50 0.00 -2.48 -3.84 0.00 -1.96 -2.26 103.07 93.03 2j8r h GLY 79 Ca 0.61 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.94 2j8r h GLY 79 CO -0.37 0.00 0.00 0.69 0.00 0.00 0.00 176.54 176.86 2j8r n PHE 80 N -2.62 1.07 0.29 5.60 3.01 -0.63 -4.55 117.46 119.63 2j8r n PHE 80 Ca -0.01 -0.46 0.18 0.00 1.01 0.00 0.00 57.45 58.16 2j8r n PHE 80 Cb 0.09 -0.13 0.94 0.00 -0.01 0.00 0.00 39.48 40.38 2j8r n PHE 80 CO 0.00 0.00 0.00 0.07 1.01 0.00 0.00 176.76 177.84 2j8r h ARG 81 N 3.47 0.00 -0.08 -1.08 0.11 -1.57 0.38 114.38 115.61 2j8r h ARG 81 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 2j8r h ARG 81 Cb 1.07 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.15 2j8r h ARG 81 CO 0.12 0.00 0.00 0.41 0.10 0.00 0.00 179.97 180.60 2j8r n GLY 82 N -1.17 0.29 3.30 0.08 0.00 -1.26 -4.87 105.19 101.55 2j8r n GLY 82 Ca -0.02 -0.48 -0.32 0.00 0.00 0.00 0.00 46.02 45.20 2j8r n GLY 82 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2j8r s THR 83 N -1.91 2.31 0.13 2.61 2.01 0.12 -0.16 115.64 120.75 2j8r s THR 83 Ca 0.35 -0.96 0.07 0.00 0.31 0.00 0.00 61.69 61.46 2j8r s THR 83 Cb 0.20 -1.87 -0.04 0.00 0.01 0.00 0.00 72.50 70.80 2j8r s THR 83 CO 0.31 0.56 -0.16 0.68 -0.69 0.00 0.00 174.62 175.32 2j8r s VAL 84 N -0.09 1.50 -0.15 3.82 -7.23 -0.49 -3.74 120.40 114.01 2j8r s VAL 84 Ca -0.05 -1.74 -0.03 0.00 -1.81 0.00 0.00 61.98 58.35 2j8r s VAL 84 Cb -0.14 -1.60 -0.02 0.00 0.56 0.00 0.00 36.38 35.17 2j8r s VAL 84 CO 0.04 -0.34 -0.06 -0.70 -0.31 0.00 0.00 175.10 173.73 2j8r s GLU 85 N -2.59 3.59 0.44 4.82 2.12 0.19 -0.47 118.70 126.80 2j8r s GLU 85 Ca 0.10 -0.56 0.07 0.00 0.36 0.00 0.00 54.97 54.94 2j8r s GLU 85 Cb -0.06 -2.86 -0.01 0.00 0.26 0.00 0.00 34.13 31.46 2j8r s GLU 85 CO 0.04 0.21 0.35 -3.38 -0.54 0.00 0.00 175.26 171.93 2j8r s HIS 86 N 0.44 2.45 -0.03 5.30 -3.43 -1.03 -1.55 115.29 117.44 2j8r s HIS 86 Ca -0.05 -0.59 -0.03 0.00 -0.80 0.00 0.00 55.06 53.59 2j8r s HIS 86 Cb -0.15 -2.08 0.01 0.00 -1.43 0.00 0.00 32.58 28.93 2j8r s HIS 86 CO 0.03 -0.14 0.09 -1.12 -2.00 0.00 0.00 174.74 171.60 2j8r s SER 87 N -4.12 -0.08 -0.05 7.38 0.01 0.38 -4.74 113.70 112.47 2j8r s SER 87 Ca 0.44 0.15 0.00 0.00 1.31 0.00 0.00 55.95 57.86 2j8r s SER 87 Cb -0.01 0.18 0.02 0.00 0.21 0.00 0.00 66.02 66.42 2j8r s SER 87 CO 0.26 -0.05 -0.03 -0.69 0.41 0.00 0.00 173.24 173.14 2j8r s VAL 88 N -0.03 0.45 -0.11 3.43 1.01 -1.26 -1.59 120.40 122.29 2j8r s VAL 88 Ca -0.01 -0.03 0.00 0.00 0.00 0.00 0.00 61.98 61.94 2j8r s VAL 88 Cb -0.01 -0.52 0.02 0.00 0.00 0.00 0.00 36.38 35.87 2j8r s VAL 88 CO 0.00 0.22 -0.10 -0.31 0.00 0.00 0.00 175.10 174.92 2j8r s TYR 89 N 1.22 1.65 -0.13 5.22 1.51 0.46 -5.00 117.35 122.28 2j8r s TYR 89 Ca -0.06 -0.82 -0.03 0.00 -1.01 0.00 0.00 57.07 55.15 2j8r s TYR 89 Cb -0.14 -1.29 -0.03 0.00 -0.11 0.00 0.00 41.96 40.39 2j8r s TYR 89 CO -0.02 -0.51 -0.04 0.08 -1.11 0.00 0.00 175.55 173.95 2j8r s VAL 90 N 1.47 3.87 0.35 0.71 1.01 -1.26 -0.40 120.40 126.15 2j8r s VAL 90 Ca 0.01 -0.38 -0.29 0.00 0.00 0.00 0.00 61.98 61.33 2j8r s VAL 90 Cb -0.13 -2.67 -0.11 0.00 0.00 0.00 0.00 36.38 33.47 2j8r s VAL 90 CO -0.07 0.52 1.50 -1.14 0.00 0.00 0.00 175.10 175.92 2j8r n ARG 91 N 3.18 2.63 -0.28 2.72 0.63 -0.24 -4.86 116.66 120.44 2j8r n ARG 91 Ca -0.18 0.92 0.03 0.00 -0.92 0.00 0.00 57.85 57.71 2j8r n ARG 91 Cb 0.53 -2.66 0.12 0.00 0.45 0.00 0.00 32.46 30.89 2j8r n ARG 91 CO 0.00 0.00 0.00 0.22 -2.51 0.00 0.00 177.63 175.34 2j8r h ASP 92 N 3.50 -0.69 0.53 6.15 3.58 -1.96 0.18 116.42 127.70 2j8r h ASP 92 Ca -0.49 0.24 0.00 0.00 0.42 0.00 0.00 57.03 57.20 2j8r h ASP 92 Cb 1.24 0.48 0.00 0.00 1.72 0.00 0.00 39.33 42.77 2j8r h ASP 92 CO 0.69 -0.26 0.00 -0.90 -2.88 0.00 0.00 179.24 175.89 2j8r n ASP 93 N -5.50 0.13 -1.14 2.28 5.75 -1.26 -2.44 116.55 114.37 2j8r n ASP 93 Ca 0.12 0.53 0.12 0.00 -0.01 0.00 0.00 54.79 55.56 2j8r n ASP 93 Cb 0.43 -0.56 0.23 0.00 -1.03 0.00 0.00 41.12 40.19 2j8r n ASP 93 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2j8r n GLN 94 N -1.65 2.49 -1.72 0.11 1.13 0.62 -4.98 117.38 113.38 2j8r n GLN 94 Ca 0.03 -2.25 -0.34 0.00 -1.94 0.00 0.00 57.00 52.51 2j8r n GLN 94 Cb 0.18 -1.51 0.06 0.00 0.11 0.00 0.00 30.24 29.07 2j8r n GLN 94 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 2j8r s ARG 95 N -1.50 2.67 -0.20 -1.09 0.52 -1.02 -3.57 118.95 114.77 2j8r s ARG 95 Ca 0.39 1.52 0.00 0.00 -0.52 0.00 0.00 55.73 57.12 2j8r s ARG 95 Cb 0.23 -1.92 0.00 0.00 0.52 0.00 0.00 34.95 33.77 2j8r s ARG 95 CO 0.32 -1.37 0.00 0.41 0.02 0.00 0.00 175.30 174.67 2j8r n GLY 96 N -0.19 0.54 0.00 -3.53 0.00 -1.26 -4.90 105.19 95.85 2j8r n GLY 96 Ca 0.11 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.48 2j8r n GLY 96 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2j8r n LYS 97 N -2.78 2.91 -1.03 1.61 5.02 -1.23 -5.00 118.16 117.65 2j8r n LYS 97 Ca -0.02 -1.47 -0.01 0.00 -2.02 0.00 0.00 58.31 54.79 2j8r n LYS 97 Cb 0.08 -0.99 -0.00 0.00 -0.02 0.00 0.00 35.03 34.09 2j8r n LYS 97 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2j8r n GLY 98 N -0.49 0.47 0.18 0.72 0.00 -1.26 -4.91 105.19 99.90 2j8r n GLY 98 Ca 0.00 -0.18 0.02 0.00 0.00 0.00 0.00 46.02 45.85 2j8r n GLY 98 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2j8r h LEU 99 N 0.00 0.03 -0.58 0.99 3.38 -1.95 -2.37 115.31 114.81 2j8r h LEU 99 Ca -0.02 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 57.89 2j8r h LEU 99 Cb 0.26 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 2j8r h LEU 99 CO 0.03 0.42 0.18 1.23 0.09 0.00 0.00 178.44 180.39 2j8r h GLY 100 N 1.17 0.98 0.92 0.83 0.00 -1.93 -0.22 103.07 104.81 2j8r h GLY 100 Ca -0.00 -0.58 -0.03 0.00 0.00 0.00 0.00 47.33 46.72 2j8r h GLY 100 CO 0.05 0.54 0.10 -2.08 0.00 0.00 0.00 176.54 175.15 2j8r h VAL 101 N 0.83 1.21 -0.68 4.60 2.07 -1.91 -0.54 116.25 121.83 2j8r h VAL 101 Ca 0.19 -0.70 -0.00 0.00 0.82 0.00 0.00 66.70 67.00 2j8r h VAL 101 Cb 0.28 1.01 -0.03 0.00 -1.52 0.00 0.00 31.29 31.03 2j8r h VAL 101 CO -0.01 0.24 0.41 1.56 0.02 0.00 0.00 177.57 179.79 2j8r h GLN 102 N 0.41 0.92 -0.16 1.57 4.20 -1.19 -0.25 115.11 120.61 2j8r h GLN 102 Ca 0.11 -0.08 -0.03 0.00 0.06 0.00 0.00 58.65 58.71 2j8r h GLN 102 Cb 0.27 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 27.85 2j8r h GLN 102 CO -0.00 0.66 -0.02 -0.07 -0.67 0.00 0.00 178.83 178.72 2j8r h LEU 103 N 0.92 0.30 -0.66 1.46 3.38 -0.85 -2.46 115.31 117.40 2j8r h LEU 103 Ca 0.24 -0.35 -0.10 0.00 0.09 0.00 0.00 57.88 57.77 2j8r h LEU 103 Cb -0.03 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 2j8r h LEU 103 CO -0.05 0.58 -0.03 0.25 0.09 0.00 0.00 178.44 179.28 2j8r h LEU 104 N 0.01 0.99 -0.63 1.67 5.85 -0.98 -1.02 115.31 121.21 2j8r h LEU 104 Ca 0.04 -0.29 -0.01 0.00 0.84 0.00 0.00 57.88 58.46 2j8r h LEU 104 Cb 0.44 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.17 2j8r h LEU 104 CO 0.01 1.06 0.35 1.56 -0.34 0.00 0.00 178.44 181.09 2j8r h GLN 105 N 0.92 0.87 -0.55 1.25 4.20 -1.05 0.07 115.11 120.82 2j8r h GLN 105 Ca 0.16 -0.10 -0.09 0.00 0.06 0.00 0.00 58.65 58.69 2j8r h GLN 105 Cb 0.58 -0.17 -0.02 0.00 0.30 0.00 0.00 27.48 28.16 2j8r h GLN 105 CO 0.03 0.65 0.00 0.00 -0.67 0.00 0.00 178.83 178.84 2j8r h ALA 106 N 1.17 0.97 -0.55 3.87 0.00 -1.20 -2.25 119.26 121.28 2j8r h ALA 106 Ca 0.22 -0.29 -0.09 0.00 0.00 0.00 0.00 54.91 54.75 2j8r h ALA 106 Cb 0.03 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 2j8r h ALA 106 CO -0.04 0.63 -0.00 1.25 0.00 0.00 0.00 179.25 181.08 2j8r h LEU 107 N 0.86 0.95 -0.68 0.00 5.85 -0.74 -2.07 115.31 119.48 2j8r h LEU 107 Ca 0.16 -0.31 -0.01 0.00 0.84 0.00 0.00 57.88 58.56 2j8r h LEU 107 Cb 0.51 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.25 2j8r h LEU 107 CO 0.02 1.03 0.39 0.40 -0.34 0.00 0.00 178.44 179.94 2j8r h ILE 108 N 0.85 1.21 -0.43 4.05 2.04 -0.81 -0.59 117.51 123.83 2j8r h ILE 108 Ca 0.15 -0.50 -0.08 0.00 1.00 0.00 0.00 64.86 65.44 2j8r h ILE 108 Cb 0.54 0.30 -0.02 0.00 -0.74 0.00 0.00 36.82 36.90 2j8r h ILE 108 CO 0.03 0.22 -0.06 -0.33 0.00 0.00 0.00 178.15 178.01 2j8r h GLU 109 N 0.93 0.73 -0.34 2.37 5.08 -1.20 -1.05 114.58 121.10 2j8r h GLU 109 Ca 0.24 -0.21 -0.17 0.00 -1.00 0.00 0.00 59.36 58.22 2j8r h GLU 109 Cb 0.01 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.18 2j8r h GLU 109 CO -0.04 0.78 -0.45 0.00 -1.00 0.00 0.00 179.01 178.30 2j8r h ARG 110 N 0.67 0.90 -0.53 2.33 2.47 -0.90 -1.57 114.38 117.74 2j8r h ARG 110 Ca 0.13 -0.51 -0.03 0.00 -1.26 0.00 0.00 59.98 58.31 2j8r h ARG 110 Cb 0.50 0.04 -0.02 0.00 -1.65 0.00 0.00 29.97 28.83 2j8r h ARG 110 CO 0.03 1.16 0.23 0.00 0.56 0.00 0.00 179.97 181.94 2j8r h ALA 111 N 0.76 0.69 -0.50 0.04 0.00 -0.91 -1.04 119.26 118.30 2j8r h ALA 111 Ca 0.04 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.73 2j8r h ALA 111 Cb 1.05 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 2j8r h ALA 111 CO 0.11 0.28 0.02 -0.09 0.00 0.00 0.00 179.25 179.57 2j8r h ARG 112 N 0.72 0.87 0.00 0.00 2.43 -1.17 -2.28 114.38 114.95 2j8r h ARG 112 Ca 0.18 -0.27 -0.03 0.00 -0.81 0.00 0.00 59.98 59.05 2j8r h ARG 112 Cb 0.17 -0.09 -0.00 0.00 -0.42 0.00 0.00 29.97 29.63 2j8r h ARG 112 CO -0.02 0.89 -0.16 0.00 -1.51 0.00 0.00 179.97 179.17 2j8r h ALA 113 N 0.95 1.64 -0.00 2.80 0.00 -1.01 -0.86 119.26 122.78 2j8r h ALA 113 Ca 0.15 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2j8r h ALA 113 Cb 0.48 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.25 2j8r h ALA 113 CO 0.02 0.20 -0.01 0.94 0.00 0.00 0.00 179.25 180.41 2j8r n GLN 114 N -4.22 0.88 -1.04 0.00 7.27 -0.42 -4.90 117.38 114.95 2j8r n GLN 114 Ca -0.02 -0.06 -0.01 0.00 0.07 0.00 0.00 57.00 56.97 2j8r n GLN 114 Cb 0.23 -1.50 -0.01 0.00 2.41 0.00 0.00 30.24 31.38 2j8r n GLN 114 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2j8r n GLY 115 N 1.10 0.49 3.78 1.69 0.00 -0.33 -5.04 105.19 106.88 2j8r n GLY 115 Ca 0.21 -0.84 -0.30 0.00 0.00 0.00 0.00 46.02 45.09 2j8r n GLY 115 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2j8r s LEU 116 N -0.28 2.60 -0.16 0.99 1.43 -0.89 -5.02 118.68 117.35 2j8r s LEU 116 Ca 0.00 1.41 0.01 0.00 -1.03 0.00 0.00 54.13 54.52 2j8r s LEU 116 Cb 0.00 -4.01 -0.10 0.00 0.03 0.00 0.00 46.19 42.11 2j8r s LEU 116 CO 0.00 -2.08 -0.14 1.57 0.23 0.00 0.00 176.35 175.93 2j8r n HIS 117 N -3.52 0.00 -3.86 0.29 -0.00 0.78 -4.66 115.22 104.25 2j8r n HIS 117 Ca 0.07 0.00 -0.12 0.00 -0.00 0.00 0.00 57.72 57.67 2j8r n HIS 117 Cb 0.56 -0.60 -0.14 0.00 -0.00 0.00 0.00 29.99 29.80 2j8r n HIS 117 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.34 176.42 2j8r s VAL 118 N -2.31 -0.00 -0.14 3.57 1.01 -0.60 -0.30 120.40 121.62 2j8r s VAL 118 Ca -0.21 0.02 -0.01 0.00 0.00 0.00 0.00 61.98 61.78 2j8r s VAL 118 Cb 0.05 -0.02 -0.02 0.00 0.00 0.00 0.00 36.38 36.40 2j8r s VAL 118 CO 0.36 0.01 -0.10 -0.32 0.00 0.00 0.00 175.10 175.04 2j8r s MET 119 N 0.09 3.46 -0.10 2.72 1.75 -0.54 -1.40 119.30 125.28 2j8r s MET 119 Ca -0.01 -0.64 0.00 0.00 -1.25 0.00 0.00 55.69 53.79 2j8r s MET 119 Cb -0.01 -2.71 -0.03 0.00 2.84 0.00 0.00 34.83 34.92 2j8r s MET 119 CO -0.00 0.21 -0.09 0.08 -0.65 0.00 0.00 175.02 174.58 2j8r s VAL 120 N 0.37 3.51 -0.09 10.11 1.01 0.37 -1.26 120.40 134.42 2j8r s VAL 120 Ca -0.09 -0.53 0.02 0.00 0.00 0.00 0.00 61.98 61.38 2j8r s VAL 120 Cb -0.15 -2.46 -0.02 0.00 0.00 0.00 0.00 36.38 33.75 2j8r s VAL 120 CO 0.05 0.56 -0.15 0.00 0.00 0.00 0.00 175.10 175.55 2j8r s ALA 121 N -0.30 2.57 -0.36 5.51 0.00 0.48 -2.45 121.76 127.21 2j8r s ALA 121 Ca 0.04 -0.94 -0.00 0.00 0.00 0.00 0.00 51.96 51.05 2j8r s ALA 121 Cb -0.13 -1.05 0.09 0.00 0.00 0.00 0.00 23.12 22.04 2j8r s ALA 121 CO 0.02 0.38 0.10 0.00 0.00 0.00 0.00 175.76 176.27 2j8r s ALA 122 N -0.10 2.98 -0.05 0.00 0.00 -1.26 -1.26 121.76 122.08 2j8r s ALA 122 Ca -0.02 -2.33 0.06 0.00 0.00 0.00 0.00 51.96 49.66 2j8r s ALA 122 Cb -0.14 -2.15 -0.02 0.00 0.00 0.00 0.00 23.12 20.81 2j8r s ALA 122 CO 0.04 -1.63 -0.23 0.42 0.00 0.00 0.00 175.76 174.36 2j8r s ILE 123 N 1.10 2.30 0.19 0.00 1.01 0.05 -4.95 121.20 120.89 2j8r s ILE 123 Ca 0.05 -0.99 -0.32 0.00 0.00 0.00 0.00 60.65 59.40 2j8r s ILE 123 Cb -0.21 -1.85 -0.11 0.00 0.01 0.00 0.00 42.46 40.30 2j8r s ILE 123 CO -0.05 0.57 1.69 -0.70 0.00 0.00 0.00 174.94 176.46 2j8r s GLU 124 N -0.32 4.15 0.55 2.79 -6.30 -1.26 0.11 118.70 118.43 2j8r s GLU 124 Ca 0.01 2.54 0.31 0.00 -2.50 0.00 0.00 54.97 55.33 2j8r s GLU 124 Cb -0.13 -3.15 1.47 0.00 0.00 0.00 0.00 34.13 32.33 2j8r s GLU 124 CO 0.02 -0.72 1.87 0.77 0.02 0.00 0.00 175.26 177.22 2j8r h SER 125 N 6.98 0.00 0.36 -1.70 0.02 -1.47 -0.58 113.55 117.17 2j8r h SER 125 Ca -0.43 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.52 2j8r h SER 125 Cb 1.20 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.74 2j8r h SER 125 CO 0.95 0.00 -0.12 0.61 -1.14 0.00 0.00 176.83 177.13 2j8r n GLY 126 N -1.67 -0.93 3.03 -3.77 0.00 -1.26 -4.58 105.19 96.01 2j8r n GLY 126 Ca 0.17 -0.27 -0.42 0.00 0.00 0.00 0.00 46.02 45.50 2j8r n GLY 126 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2j8r n ASN 127 N -0.95 4.22 0.02 1.61 2.85 -0.23 -4.75 115.26 118.03 2j8r n ASN 127 Ca 0.14 -2.86 0.04 0.00 -0.11 0.00 0.00 54.58 51.78 2j8r n ASN 127 Cb 0.28 -1.68 0.42 0.00 1.24 0.00 0.00 39.78 40.04 2j8r n ASN 127 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2j8r h ALA 128 N 6.59 1.69 -0.30 5.20 0.00 -1.86 -1.76 119.26 128.83 2j8r h ALA 128 Ca 0.52 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.39 2j8r h ALA 128 Cb 0.72 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 2j8r h ALA 128 CO 1.74 0.27 0.19 0.00 0.00 0.00 0.00 179.25 181.45 2j8r h ALA 129 N 1.74 0.38 -0.33 0.00 0.00 -1.99 -0.73 119.26 118.33 2j8r h ALA 129 Ca 0.14 -0.03 -0.13 0.00 0.00 0.00 0.00 54.91 54.88 2j8r h ALA 129 Cb -0.02 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 2j8r h ALA 129 CO -0.03 -0.14 -0.30 1.03 0.00 0.00 0.00 179.25 179.82 2j8r h SER 130 N 0.39 0.83 -0.84 0.00 0.87 -1.86 -1.98 113.55 110.97 2j8r h SER 130 Ca 0.11 -0.46 0.00 0.00 -1.23 0.00 0.00 61.79 60.21 2j8r h SER 130 Cb -0.02 -0.23 -0.04 0.00 -0.44 0.00 0.00 62.40 61.67 2j8r h SER 130 CO -0.02 1.12 0.53 0.40 -0.53 0.00 0.00 176.83 178.33 2j8r h ILE 131 N 0.55 1.22 -0.29 2.23 2.04 -1.22 -1.84 117.51 120.22 2j8r h ILE 131 Ca 0.06 -0.45 -0.03 0.00 1.00 0.00 0.00 64.86 65.44 2j8r h ILE 131 Cb 0.88 0.02 -0.01 0.00 -0.74 0.00 0.00 36.82 36.96 2j8r h ILE 131 CO 0.08 0.22 0.08 1.23 0.00 0.00 0.00 178.15 179.76 2j8r h GLY 132 N 1.14 0.49 0.38 5.37 0.00 -1.03 -0.74 103.07 108.67 2j8r h GLY 132 Ca 0.30 -0.30 0.07 0.00 0.00 0.00 0.00 47.33 47.41 2j8r h GLY 132 CO -0.06 0.28 -0.01 -2.00 0.00 0.00 0.00 176.54 174.75 2j8r h LEU 133 N 0.30 -0.17 -0.53 3.11 5.85 -1.04 -1.10 115.31 121.73 2j8r h LEU 133 Ca 0.09 0.09 -0.05 0.00 0.84 0.00 0.00 57.88 58.86 2j8r h LEU 133 Cb 0.26 0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.43 2j8r h LEU 133 CO -0.00 -0.05 0.15 0.45 -0.34 0.00 0.00 178.44 178.65 2j8r h HIS 134 N 0.10 0.86 -0.69 1.25 3.86 -1.21 -2.89 115.15 116.43 2j8r h HIS 134 Ca 0.19 -0.09 0.04 0.00 -1.16 0.00 0.00 60.37 59.34 2j8r h HIS 134 Cb 0.26 -0.25 -0.05 0.00 1.06 0.00 0.00 27.41 28.44 2j8r h HIS 134 CO -0.27 0.75 0.43 -0.09 0.86 0.00 0.00 177.93 179.61 2j8r h ARG 135 N 0.73 0.80 0.00 2.45 2.43 -0.59 -0.30 114.38 119.89 2j8r h ARG 135 Ca 0.17 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.29 2j8r h ARG 135 Cb 0.30 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 29.67 2j8r h ARG 135 CO -0.00 0.53 0.00 0.54 -1.51 0.00 0.00 179.97 179.52 2j8r n ARG 136 N -4.69 0.22 -0.51 0.20 1.74 -0.46 -2.16 116.66 111.00 2j8r n ARG 136 Ca 0.08 0.11 0.08 0.00 -0.77 0.00 0.00 57.85 57.35 2j8r n ARG 136 Cb 0.11 -1.50 0.28 0.00 -1.02 0.00 0.00 32.46 30.33 2j8r n ARG 136 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 2j8r n LEU 137 N -1.33 4.18 0.00 0.55 4.77 -0.25 -4.95 117.00 119.97 2j8r n LEU 137 Ca 0.09 -2.83 0.00 0.00 -0.03 0.00 0.00 56.01 53.23 2j8r n LEU 137 Cb 0.18 -0.53 0.00 0.00 -2.33 0.00 0.00 43.42 40.73 2j8r n LEU 137 CO 0.16 0.69 0.00 0.61 -1.33 0.00 0.00 177.39 177.52 2j8r n GLY 138 N -0.04 0.50 3.78 -0.72 0.00 -0.92 -5.06 105.19 102.73 2j8r n GLY 138 Ca 0.22 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.87 2j8r n GLY 138 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2j8r s PHE 139 N -2.21 3.24 0.04 1.61 0.08 -0.47 -4.71 117.98 115.55 2j8r s PHE 139 Ca 0.00 1.63 0.08 0.00 0.12 0.00 0.00 56.93 58.76 2j8r s PHE 139 Cb 0.00 -3.17 -0.03 0.00 -0.57 0.00 0.00 43.02 39.26 2j8r s PHE 139 CO 0.00 -0.73 -0.22 -1.21 -0.10 0.00 0.00 175.22 172.95 2j8r s GLU 140 N -2.46 1.55 0.17 0.44 2.02 -0.36 -4.20 118.70 115.86 2j8r s GLU 140 Ca 0.58 -0.97 -0.31 0.00 0.02 0.00 0.00 54.97 54.29 2j8r s GLU 140 Cb -0.23 -1.66 -0.09 0.00 0.10 0.00 0.00 34.13 32.24 2j8r s GLU 140 CO 0.29 0.43 1.46 0.42 0.02 0.00 0.00 175.26 177.89 2j8r s ILE 141 N -0.77 2.89 0.00 -1.63 1.01 -1.26 -1.20 121.20 120.24 2j8r s ILE 141 Ca 0.09 0.66 0.00 0.00 0.00 0.00 0.00 60.65 61.40 2j8r s ILE 141 Cb -0.09 -3.42 0.00 0.00 0.01 0.00 0.00 42.46 38.95 2j8r s ILE 141 CO 0.02 0.07 0.22 -1.20 0.00 0.00 0.00 174.94 174.05 2j8r n SER 142 N 3.51 0.45 -3.58 3.58 7.64 0.57 -4.92 113.62 120.86 2j8r n SER 142 Ca 0.11 -0.75 -0.11 0.00 1.01 0.00 0.00 58.87 59.14 2j8r n SER 142 Cb 0.40 0.31 -0.05 0.00 -1.01 0.00 0.00 64.21 63.86 2j8r n SER 142 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2j8r s GLY 143 N -0.31 -0.26 -0.23 0.23 0.00 -1.08 -4.92 107.32 100.75 2j8r s GLY 143 Ca 0.00 2.09 -0.04 0.00 0.00 0.00 0.00 44.72 46.77 2j8r s GLY 143 CO 0.00 1.13 0.09 1.20 0.00 0.00 0.00 173.10 175.52 2j8r s GLN 144 N -0.94 0.31 -0.36 2.90 -1.52 -1.26 -0.86 119.66 117.92 2j8r s GLN 144 Ca -0.01 -0.40 0.01 0.00 -1.95 0.00 0.00 55.36 53.01 2j8r s GLN 144 Cb -0.01 -1.72 0.10 0.00 -0.22 0.00 0.00 33.01 31.16 2j8r s GLN 144 CO 0.01 -0.80 0.09 -1.64 -0.25 0.00 0.00 175.29 172.70 2j8r s MET 145 N 2.01 1.75 0.26 2.91 -1.94 0.42 -4.99 119.30 119.72 2j8r s MET 145 Ca 0.04 -1.80 -0.29 0.00 -1.71 0.00 0.00 55.69 51.93 2j8r s MET 145 Cb -0.16 -3.32 -0.09 0.00 2.01 0.00 0.00 34.83 33.26 2j8r s MET 145 CO -0.19 -0.95 1.15 -1.25 -0.01 0.00 0.00 175.02 173.78 2j8r s PRO 146 N 1.01 4.56 -1.51 2.03 0.04 -1.26 -1.17 135.00 138.70 2j8r s PRO 146 Ca 0.08 1.88 0.00 0.00 0.04 0.00 0.00 61.00 63.00 2j8r s PRO 146 Cb -0.20 -3.19 0.00 0.00 0.04 0.00 0.00 34.50 31.15 2j8r s PRO 146 CO -0.06 0.08 0.00 1.04 0.04 0.00 0.00 177.00 178.09 2j8r n GLN 147 N 1.49 -1.85 0.00 4.56 6.02 -1.06 -4.85 117.38 121.69 2j8r n GLN 147 Ca 0.00 0.85 0.13 0.00 -0.01 0.00 0.00 57.00 57.98 2j8r n GLN 147 Cb 0.44 -5.43 0.45 0.00 1.02 0.00 0.00 30.24 26.72 2j8r n GLN 147 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 177.06 177.38 2j8r n VAL 148 N -3.47 0.00 -4.43 5.09 0.24 -1.04 -4.77 118.33 109.95 2j8r n VAL 148 Ca -0.20 -0.01 -0.22 0.00 -2.04 0.00 0.00 64.34 61.88 2j8r n VAL 148 Cb 0.64 -0.10 -0.10 0.00 -1.47 0.00 0.00 33.84 32.81 2j8r n VAL 148 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 2j8r s GLY 149 N -2.92 2.18 -0.13 7.63 0.00 -0.99 -5.00 107.32 108.10 2j8r s GLY 149 Ca 0.15 -1.72 -0.19 0.00 0.00 0.00 0.00 44.72 42.95 2j8r s GLY 149 CO 0.60 -1.76 0.49 -0.86 0.00 0.00 0.00 173.10 171.58 2j8r s GLN 150 N -3.85 0.69 -0.15 2.90 -2.07 -1.26 -0.28 119.66 115.64 2j8r s GLN 150 Ca 0.33 0.43 -0.30 0.00 -1.82 0.00 0.00 55.36 54.00 2j8r s GLN 150 Cb 0.06 0.33 0.11 0.00 -1.09 0.00 0.00 33.01 32.42 2j8r s GLN 150 CO 0.15 -0.14 0.91 0.21 -1.32 0.00 0.00 175.29 175.10 2j8r s LYS 151 N -0.34 0.72 -1.49 9.60 2.20 -0.71 -4.92 119.74 124.80 2j8r s LYS 151 Ca -0.05 0.26 0.00 0.00 -0.36 0.00 0.00 55.97 55.82 2j8r s LYS 151 Cb -0.03 0.34 0.00 0.00 -1.51 0.00 0.00 37.83 36.63 2j8r s LYS 151 CO 0.03 -0.21 0.00 1.19 -0.36 0.00 0.00 175.35 176.01 2j8r n PHE 152 N 1.03 -1.17 -1.04 4.03 3.72 -1.26 -1.58 117.46 121.19 2j8r n PHE 152 Ca -0.13 0.00 -0.02 0.00 -0.05 0.00 0.00 57.45 57.26 2j8r n PHE 152 Cb 0.57 -3.47 -0.01 0.00 -0.94 0.00 0.00 39.48 35.64 2j8r n PHE 152 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2j8r n GLY 153 N -0.92 0.51 3.20 1.37 0.00 -1.26 -5.03 105.19 103.05 2j8r n GLY 153 Ca -0.21 -0.29 -0.15 0.00 0.00 0.00 0.00 46.02 45.37 2j8r n GLY 153 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2j8r s ARG 154 N -1.09 0.91 0.45 1.61 1.70 -0.61 -5.14 118.95 116.79 2j8r s ARG 154 Ca 0.00 -1.23 -0.22 0.00 -0.47 0.00 0.00 55.73 53.81 2j8r s ARG 154 Cb 0.00 -0.60 -0.08 0.00 -0.57 0.00 0.00 34.95 33.70 2j8r s ARG 154 CO 0.00 0.09 1.06 -1.58 -1.08 0.00 0.00 175.30 173.80 2j8r s TRP 155 N -2.59 3.07 0.07 5.89 0.23 -1.26 -1.74 118.94 122.61 2j8r s TRP 155 Ca 0.08 1.60 0.06 0.00 -2.03 0.00 0.00 56.10 55.81 2j8r s TRP 155 Cb -0.02 -3.14 -0.03 0.00 0.03 0.00 0.00 33.47 30.31 2j8r s TRP 155 CO 0.00 -0.88 -0.16 -0.51 0.96 0.00 0.00 176.95 176.36 2j8r s LEU 156 N -3.11 2.25 0.01 2.99 1.43 0.62 -4.89 118.68 117.98 2j8r s LEU 156 Ca 0.63 -0.59 -0.01 0.00 -1.03 0.00 0.00 54.13 53.14 2j8r s LEU 156 Cb -0.21 -0.66 -0.04 0.00 0.03 0.00 0.00 46.19 45.32 2j8r s LEU 156 CO 0.25 -0.00 0.12 -1.81 0.23 0.00 0.00 176.35 175.14 2j8r s ASP 157 N -1.60 5.91 -0.11 2.29 -0.00 -1.26 -2.35 116.67 119.56 2j8r s ASP 157 Ca 0.01 0.20 0.01 0.00 -0.00 0.00 0.00 52.55 52.78 2j8r s ASP 157 Cb -0.09 -1.75 -0.02 0.00 -0.00 0.00 0.00 42.92 41.06 2j8r s ASP 157 CO 0.02 0.25 -0.15 -0.22 -0.00 0.00 0.00 175.17 175.08 2j8r s LEU 158 N -1.91 2.64 -0.16 1.23 2.96 -0.32 -1.20 118.68 121.92 2j8r s LEU 158 Ca 0.26 -0.32 -0.03 0.00 -0.22 0.00 0.00 54.13 53.81 2j8r s LEU 158 Cb -0.12 -1.57 -0.02 0.00 0.50 0.00 0.00 46.19 44.97 2j8r s LEU 158 CO 0.17 0.21 -0.06 -0.89 -1.32 0.00 0.00 176.35 174.46 2j8r s THR 159 N 0.08 3.66 -0.12 3.68 2.01 0.12 -0.44 115.64 124.62 2j8r s THR 159 Ca -0.06 -0.44 -0.06 0.00 0.31 0.00 0.00 61.69 61.44 2j8r s THR 159 Cb -0.15 -2.60 -0.04 0.00 0.01 0.00 0.00 72.50 69.72 2j8r s THR 159 CO 0.05 0.49 0.12 -0.36 -0.69 0.00 0.00 174.62 174.22 2j8r s PHE 160 N 0.52 3.51 0.08 4.92 2.99 -0.04 -0.77 117.98 129.19 2j8r s PHE 160 Ca -0.04 0.45 0.02 0.00 0.00 0.00 0.00 56.93 57.36 2j8r s PHE 160 Cb -0.15 -1.93 -0.03 0.00 0.00 0.00 0.00 43.02 40.91 2j8r s PHE 160 CO 0.03 0.65 -0.08 -1.64 -0.00 0.00 0.00 175.22 174.18 2j8r s MET 161 N -0.88 0.73 0.04 0.44 -1.94 -0.39 -0.31 119.30 116.99 2j8r s MET 161 Ca 0.14 -1.09 -0.15 0.00 -1.71 0.00 0.00 55.69 52.88 2j8r s MET 161 Cb -0.12 -0.33 0.02 0.00 2.01 0.00 0.00 34.83 36.41 2j8r s MET 161 CO 0.03 0.03 0.32 1.14 -0.01 0.00 0.00 175.02 176.54 2j8r s GLN 162 N -2.77 0.81 -0.09 2.03 -2.07 -0.34 -0.38 119.66 116.86 2j8r s GLN 162 Ca 0.03 -0.44 0.01 0.00 -1.82 0.00 0.00 55.36 53.13 2j8r s GLN 162 Cb -0.02 0.36 0.02 0.00 -1.09 0.00 0.00 33.01 32.27 2j8r s GLN 162 CO -0.02 -0.26 -0.10 -1.17 -1.32 0.00 0.00 175.29 172.43 2j8r s LEU 163 N -1.97 1.40 -0.32 2.60 2.96 -0.39 -1.22 118.68 121.73 2j8r s LEU 163 Ca -0.06 -0.30 -0.24 0.00 -0.22 0.00 0.00 54.13 53.32 2j8r s LEU 163 Cb -0.01 -0.83 0.00 0.00 0.50 0.00 0.00 46.19 45.85 2j8r s LEU 163 CO -0.02 -0.05 0.80 0.21 -1.32 0.00 0.00 176.35 175.97 2j8r s ASN 164 N 1.23 6.65 0.34 3.68 3.84 -1.26 -1.47 114.94 127.95 2j8r s ASN 164 Ca -0.04 0.62 0.26 0.00 0.21 0.00 0.00 52.86 53.91 2j8r s ASN 164 Cb -0.14 -2.41 0.82 0.00 -0.55 0.00 0.00 41.25 38.97 2j8r s ASN 164 CO -0.03 -0.65 1.76 -0.07 -2.79 0.00 0.00 177.10 175.32 2j8r h LEU 165 N 9.54 0.00 -5.66 3.21 3.38 -0.95 -3.38 115.31 121.45 2j8r h LEU 165 Ca -0.24 0.00 -0.43 0.00 0.09 0.00 0.00 57.88 57.30 2j8r h LEU 165 Cb 1.09 0.00 -0.29 0.00 0.09 0.00 0.00 40.66 41.55 2j8r h LEU 165 CO 0.90 0.00 -0.85 -0.67 0.09 0.00 0.00 178.44 177.91 2j8r n ASP 166 N -2.62 -1.18 0.02 -0.43 -0.08 -1.26 -4.96 116.55 106.04 2j8r n ASP 166 Ca 0.04 -2.85 0.20 0.00 -1.51 0.00 0.00 54.79 50.67 2j8r n ASP 166 Cb 0.39 0.33 0.71 0.00 2.34 0.00 0.00 41.12 44.89 2j8r n ASP 166 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 2j8r h PRO 167 N 4.33 0.00 -0.00 -0.67 0.11 -1.92 -1.55 132.00 132.30 2j8r h PRO 167 Ca 0.03 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.14 2j8r h PRO 167 Cb 0.95 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.06 2j8r h PRO 167 CO 0.37 0.00 -0.06 0.25 -0.21 0.00 0.00 178.00 178.35 2j8r n THR 168 N -4.27 0.00 -2.64 -1.15 -2.24 -1.26 -4.56 114.28 98.15 2j8r n THR 168 Ca 0.09 -0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.45 2j8r n THR 168 Cb 0.59 -0.39 -0.03 0.00 -2.10 0.00 0.00 70.33 68.40 2j8r n THR 168 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 2j8r s ARG 169 N -2.89 3.58 0.36 -0.78 3.52 -0.58 -4.83 118.95 117.33 2j8r s ARG 169 Ca 0.17 -1.23 0.27 0.00 -0.13 0.00 0.00 55.73 54.81 2j8r s ARG 169 Cb 0.19 -5.22 1.16 0.00 -1.56 0.00 0.00 34.95 29.53 2j8r s ARG 169 CO 0.53 -2.11 1.81 0.77 -0.81 0.00 0.00 175.30 175.49 2j8r h SER 170 N 9.60 0.00 -4.90 -2.12 0.02 -1.86 -3.45 113.55 110.84 2j8r h SER 170 Ca 0.17 0.00 -0.12 0.00 -0.84 0.00 0.00 61.79 61.00 2j8r h SER 170 Cb 1.01 0.00 -0.20 0.00 0.14 0.00 0.00 62.40 63.35 2j8r h SER 170 CO 1.35 0.00 -0.27 0.00 -1.14 0.00 0.00 176.83 176.77 2j8r s ALA 171 N -3.47 -0.80 -2.00 3.77 0.00 -1.26 -5.25 121.76 112.75 2j8r s ALA 171 Ca 0.02 0.39 0.12 0.00 0.00 0.00 0.00 51.96 52.49 2j8r s ALA 171 Cb 0.09 0.03 0.72 0.00 0.00 0.00 0.00 23.12 23.96 2j8r s ALA 171 CO 0.42 -0.25 1.16 -0.35 0.00 0.00 0.00 175.76 176.73