#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xjt s GLY 10 N 0.00 -0.23 0.00 -0.02 0.00 -1.26 -4.94 107.32 100.87 1xjt s GLY 10 Ca 0.00 1.05 0.00 0.00 0.00 0.00 0.00 44.72 45.77 1xjt s GLY 10 CO 0.00 2.25 0.00 0.00 0.00 0.00 0.00 173.10 175.35 1xjt n ALA 11 N 5.36 0.97 -2.47 3.20 0.00 -1.26 -5.08 120.51 121.24 1xjt n ALA 11 Ca -0.06 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 52.97 1xjt n ALA 11 Cb 0.50 0.01 -0.05 0.00 0.00 0.00 0.00 19.45 19.91 1xjt n ALA 11 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1xjt s ILE 12 N -0.97 4.77 0.43 0.00 1.01 -1.26 -1.84 121.20 123.34 1xjt s ILE 12 Ca 0.00 1.71 0.08 0.00 0.00 0.00 0.00 60.65 62.44 1xjt s ILE 12 Cb 0.00 -4.15 0.01 0.00 0.01 0.00 0.00 42.46 38.32 1xjt s ILE 12 CO 0.00 0.32 0.54 0.00 0.00 0.00 0.00 174.94 175.79 1xjt s ALA 14 N -2.40 3.53 0.11 0.00 0.00 -1.26 -4.59 121.76 117.14 1xjt s ALA 14 Ca 0.54 -0.99 -0.21 0.00 0.00 0.00 0.00 51.96 51.30 1xjt s ALA 14 Cb -0.08 -2.76 -0.10 0.00 0.00 0.00 0.00 23.12 20.19 1xjt s ALA 14 CO 0.32 -0.84 1.75 0.82 0.00 0.00 0.00 175.76 177.81 1xjt h ILE 15 N 5.46 1.05 -0.99 0.00 2.04 -1.96 -2.82 117.51 120.28 1xjt h ILE 15 Ca -0.31 -0.10 0.18 0.00 1.00 0.00 0.00 64.86 65.63 1xjt h ILE 15 Cb 1.15 0.87 -0.10 0.00 -0.74 0.00 0.00 36.82 38.00 1xjt h ILE 15 CO 0.66 0.04 0.60 0.00 0.00 0.00 0.00 178.15 179.46 1xjt h ALA 16 N 1.04 1.62 0.00 1.87 0.00 -1.99 0.24 119.26 122.03 1xjt h ALA 16 Ca 0.05 0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1xjt h ALA 16 Cb -0.01 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.69 1xjt h ALA 16 CO -0.01 -0.01 0.00 0.28 0.00 0.00 0.00 179.25 179.51 1xjt n VAL 17 N -4.76 0.44 0.00 0.00 0.31 -1.06 -2.23 118.33 111.02 1xjt n VAL 17 Ca 0.22 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.55 1xjt n VAL 17 Cb 0.53 -0.68 0.00 0.00 -0.91 0.00 0.00 33.84 32.79 1xjt n VAL 17 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 1xjt n ILE 19 N 0.64 0.00 -0.19 2.52 5.41 0.85 -2.61 119.36 125.98 1xjt n ILE 19 Ca 0.00 0.00 -0.01 0.00 1.00 0.00 0.00 62.75 63.74 1xjt n ILE 19 Cb 0.24 0.00 0.21 0.00 -0.71 0.00 0.00 39.64 39.39 1xjt n ILE 19 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 176.55 177.26 1xjt h THR 20 N 0.00 1.21 -0.19 1.39 1.35 -1.71 -2.76 112.91 112.20 1xjt h THR 20 Ca 0.00 -0.57 -0.04 0.00 -0.55 0.00 0.00 66.41 65.26 1xjt h THR 20 Cb 0.00 0.34 -0.01 0.00 -1.73 0.00 0.00 68.15 66.75 1xjt h THR 20 CO 0.00 0.24 -0.02 0.40 -0.25 0.00 0.00 175.52 175.89 1xjt h ILE 21 N 0.94 1.27 0.00 6.82 2.04 -1.80 -0.49 117.51 126.29 1xjt h ILE 21 Ca 0.23 -0.93 0.00 0.00 1.00 0.00 0.00 64.86 65.16 1xjt h ILE 21 Cb 0.07 1.50 0.00 0.00 -0.74 0.00 0.00 36.82 37.65 1xjt h ILE 21 CO -0.03 0.28 0.00 0.52 0.00 0.00 0.00 178.15 178.92 1xjt n VAL 22 N -4.67 0.16 0.00 1.67 0.31 -1.04 -1.88 118.33 112.87 1xjt n VAL 22 Ca -0.05 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.28 1xjt n VAL 22 Cb 0.25 -0.40 0.00 0.00 -0.91 0.00 0.00 33.84 32.77 1xjt n VAL 22 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1xjt n GLY 24 N 0.54 0.00 0.19 2.92 0.00 -0.19 -3.64 105.19 105.01 1xjt n GLY 24 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.06 1xjt n GLY 24 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1xjt h ASN 25 N 0.00 0.00 0.00 1.61 2.35 -1.64 -3.46 115.58 114.44 1xjt h ASN 25 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1xjt h ASN 25 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 1xjt h ASN 25 CO 0.00 0.35 0.00 0.61 -1.65 0.00 0.00 177.43 176.74 1xjt n GLY 26 N -0.33 0.49 0.13 2.83 0.00 -1.24 -4.93 105.19 102.15 1xjt n GLY 26 Ca -0.02 -0.84 -0.25 0.00 0.00 0.00 0.00 46.02 44.91 1xjt n GLY 26 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1xjt n ASN 27 N 1.52 1.95 -4.75 1.61 3.02 -1.26 -4.97 115.26 112.38 1xjt n ASN 27 Ca 0.00 0.28 -0.40 0.00 -0.03 0.00 0.00 54.58 54.43 1xjt n ASN 27 Cb 0.00 -0.80 -0.05 0.00 -0.61 0.00 0.00 39.78 38.32 1xjt n ASN 27 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 1xjt s VAL 28 N -2.48 3.86 0.06 2.41 -7.23 -1.26 -4.94 120.40 110.81 1xjt s VAL 28 Ca -0.34 1.84 0.01 0.00 -1.81 0.00 0.00 61.98 61.67 1xjt s VAL 28 Cb 0.11 -4.17 -0.25 0.00 0.56 0.00 0.00 36.38 32.63 1xjt s VAL 28 CO 0.55 0.42 1.06 -0.09 -0.31 0.00 0.00 175.10 176.74 1xjt h ARG 29 N 4.16 0.15 -6.84 4.82 2.43 -1.97 -3.47 114.38 113.65 1xjt h ARG 29 Ca -0.45 -0.26 -0.56 0.00 -0.81 0.00 0.00 59.98 57.90 1xjt h ARG 29 Cb 1.21 0.10 0.11 0.00 -0.42 0.00 0.00 29.97 30.96 1xjt h ARG 29 CO 0.68 1.05 0.63 0.25 -1.51 0.00 0.00 179.97 181.08 1xjt n THR 30 N -3.41 2.01 -2.13 0.20 -2.24 -1.26 -4.93 114.28 102.53 1xjt n THR 30 Ca -0.09 -0.50 -0.27 0.00 -2.27 0.00 0.00 64.05 60.92 1xjt n THR 30 Cb 1.00 -1.76 0.13 0.00 -2.10 0.00 0.00 70.33 67.60 1xjt n THR 30 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1xjt s ASN 31 N -0.23 3.99 0.19 3.42 2.20 -1.26 -4.79 114.94 118.46 1xjt s ASN 31 Ca 0.54 0.26 -0.17 0.00 -0.94 0.00 0.00 52.86 52.55 1xjt s ASN 31 Cb -0.52 -0.58 0.16 0.00 -2.00 0.00 0.00 41.25 38.31 1xjt s ASN 31 CO 0.63 -2.15 1.62 -0.61 -2.94 0.00 0.00 177.10 173.65 1xjt h GLN 32 N -1.07 -0.07 -0.90 3.55 5.75 -1.99 -0.65 115.11 119.73 1xjt h GLN 32 Ca -0.43 0.00 0.05 0.00 -0.15 0.00 0.00 58.65 58.13 1xjt h GLN 32 Cb 1.27 0.02 -0.06 0.00 1.07 0.00 0.00 27.48 29.78 1xjt h GLN 32 CO 0.48 -0.05 0.57 0.00 -2.65 0.00 0.00 178.83 177.18 1xjt h ALA 33 N 1.34 1.22 -0.40 3.38 0.00 -1.98 0.21 119.26 123.03 1xjt h ALA 33 Ca 0.25 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.10 1xjt h ALA 33 Cb 0.46 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1xjt h ALA 33 CO -0.59 0.35 0.10 0.78 0.00 0.00 0.00 179.25 179.90 1xjt h GLY 34 N 1.05 0.69 1.17 0.00 0.00 -1.72 -0.48 103.07 103.78 1xjt h GLY 34 Ca 0.38 -0.43 -0.12 0.00 0.00 0.00 0.00 47.33 47.16 1xjt h GLY 34 CO -0.16 0.40 -0.16 1.41 0.00 0.00 0.00 176.54 178.04 1xjt h LEU 35 N 0.51 0.98 -0.60 3.11 3.38 -0.49 -1.18 115.31 121.01 1xjt h LEU 35 Ca 0.13 -0.34 -0.00 0.00 0.09 0.00 0.00 57.88 57.75 1xjt h LEU 35 Cb 0.31 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.76 1xjt h LEU 35 CO 0.00 1.12 0.37 -0.33 0.09 0.00 0.00 178.44 179.69 1xjt h GLU 36 N 0.85 0.80 0.05 1.13 5.08 -0.54 0.20 114.58 122.14 1xjt h GLU 36 Ca 0.12 -0.07 -0.00 0.00 -1.00 0.00 0.00 59.36 58.41 1xjt h GLU 36 Cb 0.72 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.80 1xjt h GLU 36 CO 0.06 0.56 -0.02 1.25 -1.00 0.00 0.00 179.01 179.86 1xjt h LEU 37 N 0.81 -0.05 -0.59 1.33 6.46 -0.77 -1.07 115.31 121.43 1xjt h LEU 37 Ca 0.22 -0.14 -0.01 0.00 -0.12 0.00 0.00 57.88 57.83 1xjt h LEU 37 Cb -0.04 0.01 -0.03 0.00 -0.73 0.00 0.00 40.66 39.88 1xjt h LEU 37 CO -0.04 0.11 0.33 0.40 -0.62 0.00 0.00 178.44 178.62 1xjt h ILE 38 N -0.21 1.18 -0.22 4.05 2.04 -1.11 -2.56 117.51 120.68 1xjt h ILE 38 Ca -0.01 -0.45 -0.04 0.00 1.00 0.00 0.00 64.86 65.36 1xjt h ILE 38 Cb 0.19 0.42 -0.01 0.00 -0.74 0.00 0.00 36.82 36.68 1xjt h ILE 38 CO 0.01 0.20 -0.03 1.23 0.00 0.00 0.00 178.15 179.56 1xjt h GLY 39 N 0.79 0.45 1.51 5.37 0.00 -0.38 -2.67 103.07 108.14 1xjt h GLY 39 Ca 0.21 -0.35 -0.09 0.00 0.00 0.00 0.00 47.33 47.09 1xjt h GLY 39 CO -0.04 0.32 -0.20 3.43 0.00 0.00 0.00 176.54 180.06 1xjt h ASN 40 N 0.16 0.58 -0.24 0.19 -0.26 -1.23 0.55 115.58 115.32 1xjt h ASN 40 Ca 0.06 -0.18 0.04 0.00 -0.56 0.00 0.00 56.30 55.66 1xjt h ASN 40 Cb 0.47 -0.16 -0.04 0.00 -1.06 0.00 0.00 38.32 37.53 1xjt h ASN 40 CO 0.02 0.78 -0.02 0.00 -1.06 0.00 0.00 177.43 177.14 1xjt h ALA 41 N 1.27 0.19 0.23 -0.83 0.00 -1.37 -3.24 119.26 115.51 1xjt h ALA 41 Ca 0.08 0.08 -0.33 0.00 0.00 0.00 0.00 54.91 54.74 1xjt h ALA 41 Cb 0.63 0.14 0.03 0.00 0.00 0.00 0.00 17.79 18.59 1xjt h ALA 41 CO 0.04 -0.44 -1.44 0.93 0.00 0.00 0.00 179.25 178.34 1xjt h GLU 42 N 0.05 0.48 -0.15 0.00 4.39 -1.25 -3.51 114.58 114.59 1xjt h GLU 42 Ca 0.11 -0.82 0.02 0.00 0.34 0.00 0.00 59.36 59.01 1xjt h GLU 42 Cb 0.16 0.31 -0.01 0.00 -0.10 0.00 0.00 28.75 29.11 1xjt h GLU 42 CO -0.21 1.39 -0.03 0.41 -1.16 0.00 0.00 179.01 179.41 1xjt n GLY 43 N 1.68 -1.64 2.87 -3.84 0.00 0.19 -4.68 105.19 99.77 1xjt n GLY 43 Ca -0.15 -1.50 -0.21 0.00 0.00 0.00 0.00 46.02 44.15 1xjt n GLY 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xjt s ARG 45 N 1.21 0.02 0.38 0.00 1.81 -0.82 -2.35 118.95 119.21 1xjt s ARG 45 Ca -0.06 0.45 0.21 0.00 -1.72 0.00 0.00 55.73 54.60 1xjt s ARG 45 Cb -0.14 -0.28 0.42 0.00 -0.45 0.00 0.00 34.95 34.50 1xjt s ARG 45 CO -0.02 -0.26 1.61 0.00 -0.68 0.00 0.00 175.30 175.96 1xjt h ARG 46 N 7.99 0.00 -5.16 3.54 3.08 -1.68 -1.40 114.38 120.74 1xjt h ARG 46 Ca -0.24 0.00 -0.62 0.00 0.07 0.00 0.00 59.98 59.20 1xjt h ARG 46 Cb 1.12 0.00 -0.14 0.00 0.08 0.00 0.00 29.97 31.03 1xjt h ARG 46 CO 0.25 0.26 -0.41 -0.51 -1.07 0.00 0.00 179.97 178.49 1xjt s ASP 47 N -6.28 6.20 0.29 7.04 -0.00 -1.26 -3.24 116.67 119.42 1xjt s ASP 47 Ca 0.04 0.22 -0.30 0.00 -0.00 0.00 0.00 52.55 52.51 1xjt s ASP 47 Cb 0.07 -2.15 -0.13 0.00 -0.00 0.00 0.00 42.92 40.72 1xjt s ASP 47 CO 0.69 0.00 1.37 -2.65 -0.00 0.00 0.00 175.17 174.58 1xjt n PRO 48 N 4.47 2.14 0.00 8.23 -0.02 -1.26 -4.87 135.00 143.70 1xjt n PRO 48 Ca -0.13 0.76 0.00 0.00 -2.02 0.00 0.00 63.50 62.11 1xjt n PRO 48 Cb 0.52 -2.39 0.00 0.00 -0.02 0.00 0.00 33.50 31.61 1xjt n PRO 48 CO 0.00 0.00 0.00 2.48 1.98 0.00 0.00 175.50 179.96 1xjt n TYR 49 N 1.17 0.00 -3.72 6.00 4.11 -0.71 -4.81 117.16 119.20 1xjt n TYR 49 Ca 0.08 0.00 -0.04 0.00 -0.00 0.00 0.00 57.90 57.94 1xjt n TYR 49 Cb 0.34 0.00 -0.01 0.00 -0.00 0.00 0.00 39.34 39.67 1xjt n TYR 49 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 1xjt s PRO 52 N -3.30 3.93 -0.79 0.00 0.02 -1.26 -2.50 135.00 131.10 1xjt s PRO 52 Ca 0.11 1.78 -0.03 0.00 0.02 0.00 0.00 61.00 62.88 1xjt s PRO 52 Cb -0.01 -2.54 -0.04 0.00 0.02 0.00 0.00 34.50 31.93 1xjt s PRO 52 CO 0.01 -0.41 0.71 0.00 -0.33 0.00 0.00 177.00 176.98 1xjt n ALA 53 N -0.20 -2.25 -1.55 -1.55 0.00 -1.26 -4.76 120.51 108.94 1xjt n ALA 53 Ca 0.06 0.07 -0.40 0.00 0.00 0.00 0.00 53.44 53.17 1xjt n ALA 53 Cb 0.47 -3.58 -0.04 0.00 0.00 0.00 0.00 19.45 16.30 1xjt n ALA 53 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xjt n GLY 54 N -1.42 0.39 2.93 0.00 0.00 -1.04 -4.98 105.19 101.07 1xjt n GLY 54 Ca -0.04 0.75 -0.21 0.00 0.00 0.00 0.00 46.02 46.52 1xjt n GLY 54 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xjt s VAL 55 N 10.51 0.70 0.45 1.61 0.11 -1.26 -4.95 120.40 127.57 1xjt s VAL 55 Ca 1.03 -0.22 -0.24 0.00 -2.93 0.00 0.00 61.98 59.62 1xjt s VAL 55 Cb -0.36 -0.69 -0.09 0.00 -1.53 0.00 0.00 36.38 33.71 1xjt s VAL 55 CO 0.32 0.26 1.17 0.79 -3.33 0.00 0.00 175.10 174.31 1xjt n TRP 56 N 3.96 1.72 -4.74 1.54 7.02 -1.26 -4.28 117.44 121.40 1xjt n TRP 56 Ca -0.25 0.51 -0.26 0.00 -1.02 0.00 0.00 57.50 56.48 1xjt n TRP 56 Cb 0.51 -2.31 -0.15 0.00 -2.42 0.00 0.00 31.31 26.95 1xjt n TRP 56 CO 0.00 0.00 0.00 0.99 -2.02 0.00 0.00 177.69 176.66 1xjt s THR 57 N -1.26 1.63 0.39 -0.99 2.01 -0.36 -4.54 115.64 112.52 1xjt s THR 57 Ca 0.64 -1.09 0.08 0.00 0.31 0.00 0.00 61.69 61.63 1xjt s THR 57 Cb -0.51 -1.40 -0.07 0.00 0.01 0.00 0.00 72.50 70.54 1xjt s THR 57 CO 0.56 0.28 0.04 -1.81 -0.69 0.00 0.00 174.62 172.99 1xjt s ASP 58 N -0.96 4.06 0.00 3.53 1.11 0.50 -1.74 116.67 123.16 1xjt s ASP 58 Ca 0.07 -1.19 0.00 0.00 0.18 0.00 0.00 52.55 51.61 1xjt s ASP 58 Cb -0.08 -0.44 0.00 0.00 1.07 0.00 0.00 42.92 43.47 1xjt s ASP 58 CO 0.01 -0.39 0.00 0.61 1.18 0.00 0.00 175.17 176.58 1xjt n GLY 59 N -1.01 1.76 2.97 0.21 0.00 -0.53 -1.34 105.19 107.24 1xjt n GLY 59 Ca -0.04 0.33 -0.36 0.00 0.00 0.00 0.00 46.02 45.94 1xjt n GLY 59 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1xjt n ILE 60 N 0.00 3.49 -1.86 -0.61 5.41 -1.26 -1.94 119.36 122.59 1xjt n ILE 60 Ca 0.00 -5.33 -0.13 0.00 1.00 0.00 0.00 62.75 58.29 1xjt n ILE 60 Cb 0.00 -2.27 -0.03 0.00 -0.71 0.00 0.00 39.64 36.63 1xjt n ILE 60 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1xjt n GLY 61 N 1.83 0.50 3.76 7.39 0.00 -1.03 -4.95 105.19 112.70 1xjt n GLY 61 Ca 0.24 -0.39 -0.39 0.00 0.00 0.00 0.00 46.02 45.48 1xjt n GLY 61 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1xjt s ASN 62 N -2.62 7.15 -0.02 1.61 2.47 -0.45 -4.88 114.94 118.21 1xjt s ASN 62 Ca 0.00 1.37 0.03 0.00 0.42 0.00 0.00 52.86 54.69 1xjt s ASN 62 Cb 0.00 -2.43 0.05 0.00 -1.45 0.00 0.00 41.25 37.42 1xjt s ASN 62 CO 0.00 0.10 0.94 0.35 -3.72 0.00 0.00 177.10 174.76 1xjt n THR 63 N 2.49 0.92 -4.38 -5.21 -2.24 -1.26 0.19 114.28 104.79 1xjt n THR 63 Ca -0.05 -0.98 -0.34 0.00 -2.27 0.00 0.00 64.05 60.40 1xjt n THR 63 Cb 0.50 0.46 -0.11 0.00 -2.10 0.00 0.00 70.33 69.09 1xjt n THR 63 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 1xjt s HIS 64 N -1.09 3.10 -0.95 4.78 5.65 -1.26 -4.53 115.29 120.99 1xjt s HIS 64 Ca 0.05 0.01 -0.04 0.00 0.25 0.00 0.00 55.06 55.34 1xjt s HIS 64 Cb 0.05 -1.86 0.00 0.00 -1.18 0.00 0.00 32.58 29.59 1xjt s HIS 64 CO 0.01 0.27 0.50 0.41 -0.65 0.00 0.00 174.74 175.27 1xjt n GLY 65 N 2.71 -0.05 3.48 1.59 0.00 -1.26 -4.99 105.19 106.66 1xjt n GLY 65 Ca -0.18 -0.17 -0.36 0.00 0.00 0.00 0.00 46.02 45.31 1xjt n GLY 65 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xjt s VAL 66 N -3.02 4.40 -0.17 1.61 0.11 -1.26 -5.07 120.40 117.00 1xjt s VAL 66 Ca 0.25 -0.15 0.00 0.00 -2.93 0.00 0.00 61.98 59.16 1xjt s VAL 66 Cb -0.11 -3.05 0.03 0.00 -1.53 0.00 0.00 36.38 31.73 1xjt s VAL 66 CO 0.31 0.36 -0.13 0.28 -3.33 0.00 0.00 175.10 172.59 1xjt s THR 67 N 1.41 1.59 0.18 5.04 -1.32 -1.26 -4.97 115.64 116.30 1xjt s THR 67 Ca 0.05 -0.77 -0.31 0.00 -1.21 0.00 0.00 61.69 59.45 1xjt s THR 67 Cb -0.15 -1.56 -0.16 0.00 -1.51 0.00 0.00 72.50 69.12 1xjt s THR 67 CO 0.04 0.34 0.89 -2.65 -2.21 0.00 0.00 174.62 171.04 1xjt n PRO 68 N 4.74 0.62 -0.94 7.08 -0.02 -1.26 -1.13 135.00 144.09 1xjt n PRO 68 Ca -0.16 0.22 0.00 0.00 -2.02 0.00 0.00 63.50 61.54 1xjt n PRO 68 Cb 0.49 -1.52 0.00 0.00 -0.02 0.00 0.00 33.50 32.45 1xjt n PRO 68 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1xjt n GLY 69 N 1.78 0.82 3.32 -1.23 0.00 -1.26 -4.98 105.19 103.64 1xjt n GLY 69 Ca 0.16 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.78 1xjt n GLY 69 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xjt s VAL 70 N -3.43 4.31 -0.12 1.61 1.01 -0.29 -5.04 120.40 118.46 1xjt s VAL 70 Ca 0.00 -1.09 -0.24 0.00 0.00 0.00 0.00 61.98 60.65 1xjt s VAL 70 Cb 0.00 -3.49 -0.03 0.00 0.00 0.00 0.00 36.38 32.86 1xjt s VAL 70 CO 0.00 -0.32 0.75 -0.60 0.00 0.00 0.00 175.10 174.93 1xjt s ARG 71 N 1.48 4.36 0.17 2.72 3.52 -1.26 -4.63 118.95 125.32 1xjt s ARG 71 Ca 0.01 0.92 -0.05 0.00 -0.13 0.00 0.00 55.73 56.49 1xjt s ARG 71 Cb -0.21 -3.51 -0.06 0.00 -1.56 0.00 0.00 34.95 29.62 1xjt s ARG 71 CO 0.04 -0.12 0.41 0.15 -0.81 0.00 0.00 175.30 174.97 1xjt s LYS 72 N 1.45 3.62 0.87 5.12 1.02 -1.20 -5.07 119.74 125.55 1xjt s LYS 72 Ca 0.37 -0.08 -0.15 0.00 0.02 0.00 0.00 55.97 56.13 1xjt s LYS 72 Cb -0.17 -2.81 -0.05 0.00 -0.52 0.00 0.00 37.83 34.28 1xjt s LYS 72 CO 0.15 0.42 0.03 2.41 -0.92 0.00 0.00 175.35 177.44 1xjt n THR 73 N -0.13 0.44 -0.18 2.17 -1.04 -1.26 -4.85 114.28 109.43 1xjt n THR 73 Ca -0.02 -0.36 -0.09 0.00 -2.04 0.00 0.00 64.05 61.54 1xjt n THR 73 Cb 0.52 -0.41 0.01 0.00 -1.82 0.00 0.00 70.33 68.63 1xjt n THR 73 CO 0.00 0.00 0.00 0.44 -0.64 0.00 0.00 175.07 174.87 1xjt h ASP 74 N -0.97 0.83 0.20 8.00 5.19 -2.00 -2.45 116.42 125.22 1xjt h ASP 74 Ca -0.44 -0.27 -0.15 0.00 -0.62 0.00 0.00 57.03 55.55 1xjt h ASP 74 Cb 1.32 -0.22 -0.01 0.00 0.18 0.00 0.00 39.33 40.60 1xjt h ASP 74 CO 0.34 0.89 -0.58 -0.61 -3.12 0.00 0.00 179.24 176.16 1xjt h GLN 75 N 0.74 0.39 -0.31 3.56 4.15 -2.00 -2.75 115.11 118.88 1xjt h GLN 75 Ca 0.15 -0.26 -0.08 0.00 0.77 0.00 0.00 58.65 59.24 1xjt h GLN 75 Cb 0.42 0.03 -0.02 0.00 0.21 0.00 0.00 27.48 28.13 1xjt h GLN 75 CO 0.01 0.86 -0.15 0.37 -1.93 0.00 0.00 178.83 177.99 1xjt h GLN 76 N 0.29 0.55 0.00 1.69 5.75 -1.92 -0.67 115.11 120.81 1xjt h GLN 76 Ca -0.00 -0.17 -0.10 0.00 -0.15 0.00 0.00 58.65 58.23 1xjt h GLN 76 Cb 1.10 -0.05 -0.01 0.00 1.07 0.00 0.00 27.48 29.58 1xjt h GLN 76 CO 0.10 0.68 -0.47 -0.84 -2.65 0.00 0.00 178.83 175.65 1xjt h ILE 77 N 0.50 1.11 -0.10 2.39 3.07 -1.24 -0.78 117.51 122.46 1xjt h ILE 77 Ca 0.09 -1.76 -0.21 0.00 1.55 0.00 0.00 64.86 64.52 1xjt h ILE 77 Cb 0.55 2.02 0.00 0.00 -0.27 0.00 0.00 36.82 39.12 1xjt h ILE 77 CO 0.03 0.46 -0.79 0.00 -1.05 0.00 0.00 178.15 176.81 1xjt h ALA 78 N 1.53 0.41 0.25 0.16 0.00 -1.22 -1.65 119.26 118.74 1xjt h ALA 78 Ca -0.00 -0.62 -0.00 0.00 0.00 0.00 0.00 54.91 54.28 1xjt h ALA 78 Cb 0.98 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 1xjt h ALA 78 CO 0.06 0.73 -0.18 0.00 0.00 0.00 0.00 179.25 179.86 1xjt h ALA 79 N 0.71 -0.41 -0.56 0.00 0.00 -0.90 0.13 119.26 118.22 1xjt h ALA 79 Ca -0.05 -0.07 0.08 0.00 0.00 0.00 0.00 54.91 54.87 1xjt h ALA 79 Cb 1.40 0.23 -0.07 0.00 0.00 0.00 0.00 17.79 19.36 1xjt h ALA 79 CO 0.15 -0.74 0.20 -0.44 0.00 0.00 0.00 179.25 178.42 1xjt h ASP 80 N -0.43 0.20 -0.16 0.00 5.19 -1.14 -1.32 116.42 118.76 1xjt h ASP 80 Ca -0.02 0.07 -0.02 0.00 -0.62 0.00 0.00 57.03 56.44 1xjt h ASP 80 Cb 0.37 0.05 -0.01 0.00 0.18 0.00 0.00 39.33 39.93 1xjt h ASP 80 CO 0.00 0.13 0.02 -0.25 -3.12 0.00 0.00 179.24 176.03 1xjt h TRP 81 N 0.38 0.28 -0.50 4.55 7.01 -1.05 -2.25 115.95 124.37 1xjt h TRP 81 Ca 0.28 -0.04 0.10 0.00 2.11 0.00 0.00 58.89 61.34 1xjt h TRP 81 Cb 0.32 -0.08 -0.10 0.00 -2.10 0.00 0.00 29.16 27.21 1xjt h TRP 81 CO -0.17 0.43 -0.19 1.49 -2.79 0.00 0.00 178.44 177.22 1xjt h GLU 82 N 0.04 -0.07 -0.73 2.65 4.81 -0.44 0.56 114.58 121.41 1xjt h GLU 82 Ca 0.05 0.00 0.03 0.00 -0.13 0.00 0.00 59.36 59.32 1xjt h GLU 82 Cb 0.30 0.02 -0.05 0.00 0.63 0.00 0.00 28.75 29.65 1xjt h GLU 82 CO 0.00 -0.04 0.45 -0.22 -0.73 0.00 0.00 179.01 178.47 1xjt h LYS 83 N -0.07 0.85 -0.40 1.92 3.64 -0.87 -0.51 116.57 121.13 1xjt h LYS 83 Ca 0.24 -0.05 -0.15 0.00 -1.27 0.00 0.00 60.65 59.42 1xjt h LYS 83 Cb 0.44 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 32.06 1xjt h LYS 83 CO -0.56 0.56 -0.34 -0.91 -2.27 0.00 0.00 179.45 175.94 1xjt h ASN 84 N 0.88 0.98 -0.45 4.20 2.35 -0.82 -2.41 115.58 120.31 1xjt h ASN 84 Ca 0.30 -0.43 0.02 0.00 -0.55 0.00 0.00 56.30 55.64 1xjt h ASN 84 Cb 0.04 -0.27 -0.03 0.00 0.05 0.00 0.00 38.32 38.10 1xjt h ASN 84 CO -0.12 1.22 0.26 0.40 -1.65 0.00 0.00 177.43 177.54 1xjt h ILE 85 N 0.77 1.03 -0.39 2.81 2.04 -0.34 -2.63 117.51 120.78 1xjt h ILE 85 Ca 0.07 -0.18 -0.06 0.00 1.00 0.00 0.00 64.86 65.70 1xjt h ILE 85 Cb 0.93 0.46 -0.02 0.00 -0.74 0.00 0.00 36.82 37.45 1xjt h ILE 85 CO 0.09 0.09 0.01 -0.07 0.00 0.00 0.00 178.15 178.27 1xjt h LEU 86 N 0.52 0.58 -0.49 1.44 3.38 -0.92 0.52 115.31 120.34 1xjt h LEU 86 Ca 0.18 -0.12 0.03 0.00 0.09 0.00 0.00 57.88 58.07 1xjt h LEU 86 Cb 0.04 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 40.60 1xjt h LEU 86 CO -0.10 0.65 0.27 0.40 0.09 0.00 0.00 178.44 179.75 1xjt h ILE 87 N 0.59 0.99 -0.57 1.22 2.04 -1.29 0.55 117.51 121.05 1xjt h ILE 87 Ca 0.12 -0.18 -0.06 0.00 1.00 0.00 0.00 64.86 65.74 1xjt h ILE 87 Cb 0.36 0.42 -0.02 0.00 -0.74 0.00 0.00 36.82 36.84 1xjt h ILE 87 CO 0.01 0.10 0.12 0.00 0.00 0.00 0.00 178.15 178.37 1xjt h ALA 88 N 1.25 0.75 -0.81 1.87 0.00 -1.02 -2.26 119.26 119.04 1xjt h ALA 88 Ca 0.21 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 1xjt h ALA 88 Cb 0.08 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.62 1xjt h ALA 88 CO -0.13 0.48 0.41 0.93 0.00 0.00 0.00 179.25 180.93 1xjt h GLU 89 N 0.82 1.15 -0.79 0.00 5.08 -0.76 -2.08 114.58 118.00 1xjt h GLU 89 Ca 0.18 -0.15 0.02 0.00 -1.00 0.00 0.00 59.36 58.40 1xjt h GLU 89 Cb 0.38 -0.21 -0.04 0.00 0.50 0.00 0.00 28.75 29.37 1xjt h GLU 89 CO 0.01 0.87 0.52 -0.09 -1.00 0.00 0.00 179.01 179.31 1xjt h ARG 90 N 1.14 0.99 -0.05 2.33 2.43 -0.57 -1.02 114.38 119.63 1xjt h ARG 90 Ca 0.28 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.39 1xjt h ARG 90 Cb 0.09 -0.22 -0.00 0.00 -0.42 0.00 0.00 29.97 29.41 1xjt h ARG 90 CO -0.04 0.66 0.03 0.00 -1.51 0.00 0.00 179.97 179.11 1xjt h ILE 92 N 0.06 1.26 -0.04 0.00 1.08 -1.16 0.17 117.51 118.88 1xjt h ILE 92 Ca 0.02 -1.09 -0.02 0.00 -0.39 0.00 0.00 64.86 63.38 1xjt h ILE 92 Cb 0.00 0.75 -0.00 0.00 -3.07 0.00 0.00 36.82 34.51 1xjt h ILE 92 CO -0.00 0.40 -0.04 0.78 -0.69 0.00 0.00 178.15 178.60 1xjt h ASN 93 N 0.96 0.11 0.05 1.72 2.35 -1.07 -0.59 115.58 119.12 1xjt h ASN 93 Ca 0.18 -0.47 -0.10 0.00 -0.55 0.00 0.00 56.30 55.36 1xjt h ASN 93 Cb 0.50 -0.03 -0.01 0.00 0.05 0.00 0.00 38.32 38.83 1xjt h ASN 93 CO 0.02 0.55 -0.32 1.56 -1.65 0.00 0.00 177.43 177.59 1xjt h GLN 94 N -0.33 0.40 0.00 0.81 4.20 -0.85 -3.33 115.11 116.01 1xjt h GLN 94 Ca 0.01 -0.17 0.00 0.00 0.06 0.00 0.00 58.65 58.55 1xjt h GLN 94 Cb 0.52 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.28 1xjt h GLN 94 CO 0.01 0.68 0.00 0.72 -0.67 0.00 0.00 178.83 179.57 1xjt n HIS 95 N -4.08 0.00 -1.68 2.96 8.25 0.04 -4.74 115.22 115.97 1xjt n HIS 95 Ca -0.01 0.00 0.04 0.00 -0.26 0.00 0.00 57.72 57.49 1xjt n HIS 95 Cb 0.44 0.00 0.06 0.00 1.12 0.00 0.00 29.99 31.61 1xjt n HIS 95 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 1xjt n PHE 96 N -0.86 0.00 -3.77 4.41 3.01 -0.35 -4.84 117.46 115.05 1xjt n PHE 96 Ca 0.00 -0.44 -0.26 0.00 1.01 0.00 0.00 57.45 57.76 1xjt n PHE 96 Cb 0.00 -0.10 0.04 0.00 -0.01 0.00 0.00 39.48 39.42 1xjt n PHE 96 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 1xjt n ARG 97 N -0.53 -6.01 -0.12 -1.08 1.74 -1.15 -4.66 116.66 104.85 1xjt n ARG 97 Ca 0.07 0.67 0.12 0.00 -0.77 0.00 0.00 57.85 57.94 1xjt n ARG 97 Cb 0.70 -5.53 0.48 0.00 -1.02 0.00 0.00 32.46 27.09 1xjt n ARG 97 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 1xjt h GLY 98 N -2.17 0.67 2.00 -0.13 0.00 -1.32 -0.49 103.07 101.63 1xjt h GLY 98 Ca -0.59 -0.19 -0.02 0.00 0.00 0.00 0.00 47.33 46.53 1xjt h GLY 98 CO 0.61 0.11 -0.10 0.50 0.00 0.00 0.00 176.54 177.66 1xjt h LYS 99 N 0.46 0.00 -1.29 4.80 1.57 -1.85 -3.45 116.57 116.82 1xjt h LYS 99 Ca 0.31 0.00 -0.49 0.00 -1.87 0.00 0.00 60.65 58.60 1xjt h LYS 99 Cb 0.59 0.00 -0.21 0.00 0.08 0.00 0.00 32.23 32.69 1xjt h LYS 99 CO -0.09 0.10 0.63 -0.25 -0.57 0.00 0.00 179.45 179.27 1xjt n ASP 100 N -3.43 7.04 -4.93 0.86 8.00 -0.20 -5.14 116.55 118.76 1xjt n ASP 100 Ca -0.01 -3.40 -0.20 0.00 0.71 0.00 0.00 54.79 51.89 1xjt n ASP 100 Cb 0.26 -1.02 -0.01 0.00 -0.02 0.00 0.00 41.12 40.33 1xjt n ASP 100 CO 0.00 0.00 0.00 -2.84 -0.39 0.00 0.00 177.20 173.97 1xjt s PRO 102 N -2.73 2.60 0.19 -0.24 0.02 -1.26 -5.15 135.00 128.43 1xjt s PRO 102 Ca 0.46 -1.47 -0.11 0.00 0.02 0.00 0.00 61.00 59.90 1xjt s PRO 102 Cb 0.36 -2.50 0.12 0.00 0.02 0.00 0.00 34.50 32.50 1xjt s PRO 102 CO -0.01 -0.27 1.83 -0.44 -0.33 0.00 0.00 177.00 177.78 1xjt h ASP 103 N 0.85 0.81 -0.22 2.53 5.19 -1.98 0.09 116.42 123.69 1xjt h ASP 103 Ca -0.40 -0.07 -0.02 0.00 -0.62 0.00 0.00 57.03 55.92 1xjt h ASP 103 Cb 1.27 -0.21 -0.01 0.00 0.18 0.00 0.00 39.33 40.57 1xjt h ASP 103 CO 0.53 0.64 0.04 0.78 -3.12 0.00 0.00 179.24 178.11 1xjt h ASN 104 N 0.92 0.35 -0.38 6.45 2.35 -1.87 0.12 115.58 123.51 1xjt h ASN 104 Ca 0.24 -0.25 0.00 0.00 -0.55 0.00 0.00 56.30 55.74 1xjt h ASN 104 Cb -0.02 -0.09 -0.02 0.00 0.05 0.00 0.00 38.32 38.24 1xjt h ASN 104 CO -0.04 0.51 0.24 0.00 -1.65 0.00 0.00 177.43 176.48 1xjt h ALA 105 N 0.85 0.49 -0.74 -0.83 0.00 -1.50 -1.48 119.26 116.04 1xjt h ALA 105 Ca 0.07 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.95 1xjt h ALA 105 Cb 0.31 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.90 1xjt h ALA 105 CO 0.00 -0.03 0.48 0.35 0.00 0.00 0.00 179.25 180.06 1xjt h PHE 106 N 0.51 0.92 -0.41 0.00 3.57 -0.74 -2.62 116.94 118.16 1xjt h PHE 106 Ca 0.14 0.02 -0.10 0.00 3.53 0.00 0.00 57.97 61.56 1xjt h PHE 106 Cb -0.02 -0.31 -0.02 0.00 2.79 0.00 0.00 35.95 38.39 1xjt h PHE 106 CO -0.04 0.56 -0.16 0.77 -2.23 0.00 0.00 178.31 177.21 1xjt h SER 107 N 0.98 0.76 0.00 0.41 0.02 -0.51 -0.49 113.55 114.71 1xjt h SER 107 Ca 0.28 -0.25 0.00 0.00 -0.84 0.00 0.00 61.79 60.98 1xjt h SER 107 Cb -0.08 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 62.25 1xjt h SER 107 CO -0.07 0.93 0.00 0.00 -1.14 0.00 0.00 176.83 176.54 1xjt n ALA 108 N -2.49 1.75 0.00 3.77 0.00 -0.58 -1.61 120.51 121.35 1xjt n ALA 108 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.45 1xjt n ALA 108 Cb 0.39 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.84 1xjt n ALA 108 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1xjt n THR 110 N 0.43 0.00 -0.21 0.00 -1.04 -0.19 -1.61 114.28 111.66 1xjt n THR 110 Ca 0.00 0.00 -0.07 0.00 -2.04 0.00 0.00 64.05 61.94 1xjt n THR 110 Cb 0.14 0.00 0.03 0.00 -1.82 0.00 0.00 70.33 68.68 1xjt n THR 110 CO 0.00 0.00 0.00 -1.28 -0.64 0.00 0.00 175.07 173.15 1xjt h SER 111 N 0.00 0.81 -0.47 8.00 0.87 -1.56 0.85 113.55 122.06 1xjt h SER 111 Ca 0.00 -0.16 -0.01 0.00 -1.23 0.00 0.00 61.79 60.39 1xjt h SER 111 Cb 0.00 -0.21 -0.02 0.00 -0.44 0.00 0.00 62.40 61.73 1xjt h SER 111 CO 0.00 0.75 0.26 0.00 -0.53 0.00 0.00 176.83 177.31 1xjt h ALA 112 N 1.09 0.61 -0.19 6.23 0.00 -1.59 -2.11 119.26 123.31 1xjt h ALA 112 Ca 0.20 -0.09 -0.11 0.00 0.00 0.00 0.00 54.91 54.91 1xjt h ALA 112 Cb 0.19 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1xjt h ALA 112 CO -0.02 0.13 -0.34 0.00 0.00 0.00 0.00 179.25 179.03 1xjt h ALA 113 N 1.10 1.07 -0.90 0.00 0.00 -1.76 -2.81 119.26 115.96 1xjt h ALA 113 Ca 0.17 -0.38 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 1xjt h ALA 113 Cb 0.06 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.70 1xjt h ALA 113 CO -0.03 0.58 0.51 0.35 0.00 0.00 0.00 179.25 180.67 1xjt h PHE 114 N 0.34 1.22 -0.03 0.00 3.04 -0.51 -0.07 116.94 120.92 1xjt h PHE 114 Ca 0.04 -0.02 0.00 0.00 3.98 0.00 0.00 57.97 61.97 1xjt h PHE 114 Cb 0.76 -0.39 0.00 0.00 2.56 0.00 0.00 35.95 38.88 1xjt h PHE 114 CO 0.02 0.83 0.00 -1.71 -2.02 0.00 0.00 178.31 175.43 1xjt n ASN 115 N -4.34 0.39 -3.52 0.41 4.05 -0.82 -5.06 115.26 106.37 1xjt n ASN 115 Ca 0.10 -1.38 -0.14 0.00 0.45 0.00 0.00 54.58 53.60 1xjt n ASN 115 Cb 0.08 -0.02 -0.05 0.00 1.23 0.00 0.00 39.78 41.03 1xjt n ASN 115 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 177.26 173.38 1xjt s GLY 117 N -1.70 -0.51 0.17 8.20 0.00 -0.04 -5.11 107.32 108.33 1xjt s GLY 117 Ca 0.34 0.76 -0.11 0.00 0.00 0.00 0.00 44.72 45.71 1xjt s GLY 117 CO 0.27 0.43 1.67 0.00 0.00 0.00 0.00 173.10 175.47 1xjt h ASN 119 N 0.87 1.10 1.17 0.00 2.35 -1.96 -1.63 115.58 117.48 1xjt h ASN 119 Ca 0.18 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.92 1xjt h ASN 119 Cb 0.39 -0.25 0.00 0.00 0.05 0.00 0.00 38.32 38.51 1xjt h ASN 119 CO 0.01 0.75 0.00 0.28 -1.65 0.00 0.00 177.43 176.82 1xjt h SER 120 N 1.27 0.00 1.08 5.81 0.02 -1.78 -2.45 113.55 117.50 1xjt h SER 120 Ca 0.40 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.35 1xjt h SER 120 Cb -0.01 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.53 1xjt h SER 120 CO -0.12 0.00 -0.63 -0.07 -1.14 0.00 0.00 176.83 174.87 1xjt h LEU 121 N 0.00 0.00 0.08 5.07 3.38 -1.36 -3.40 115.31 119.08 1xjt h LEU 121 Ca 0.00 -0.11 -0.36 0.00 0.09 0.00 0.00 57.88 57.50 1xjt h LEU 121 Cb 0.58 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.30 1xjt h LEU 121 CO 0.00 0.05 -2.05 0.54 0.09 0.00 0.00 178.44 177.08 1xjt n ARG 122 N -2.41 0.71 -4.11 1.13 1.74 -0.95 -4.31 116.66 108.46 1xjt n ARG 122 Ca 0.02 0.27 -0.10 0.00 -0.77 0.00 0.00 57.85 57.28 1xjt n ARG 122 Cb 0.48 -1.66 -0.09 0.00 -1.02 0.00 0.00 32.46 30.17 1xjt n ARG 122 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 1xjt s THR 123 N -2.53 0.08 0.05 0.55 -4.23 -1.08 -1.91 115.64 106.58 1xjt s THR 123 Ca -0.27 -1.78 -0.03 0.00 -1.18 0.00 0.00 61.69 58.43 1xjt s THR 123 Cb 0.07 -2.06 -0.02 0.00 1.34 0.00 0.00 72.50 71.83 1xjt s THR 123 CO 0.70 -0.35 0.03 -0.72 -0.54 0.00 0.00 174.62 173.74 1xjt s TYR 124 N -4.04 0.36 -0.37 3.99 -0.85 -0.48 -4.54 117.35 111.42 1xjt s TYR 124 Ca 0.24 -0.79 -0.28 0.00 -0.52 0.00 0.00 57.07 55.72 1xjt s TYR 124 Cb 0.06 -0.26 0.02 0.00 0.38 0.00 0.00 41.96 42.16 1xjt s TYR 124 CO 0.03 -0.37 1.03 -0.47 -1.52 0.00 0.00 175.55 174.25 1xjt s TYR 125 N -3.26 3.06 -0.41 -3.49 5.04 -1.26 -1.12 117.35 115.91 1xjt s TYR 125 Ca 0.01 0.96 -0.25 0.00 -2.44 0.00 0.00 57.07 55.35 1xjt s TYR 125 Cb 0.03 -3.81 0.02 0.00 0.35 0.00 0.00 41.96 38.55 1xjt s TYR 125 CO -0.08 -0.88 0.87 0.45 -1.34 0.00 0.00 175.55 174.58 1xjt s SER 126 N 1.88 6.55 0.32 4.32 0.15 -1.26 -4.91 113.70 120.74 1xjt s SER 126 Ca 0.43 0.28 0.11 0.00 0.70 0.00 0.00 55.95 57.46 1xjt s SER 126 Cb -0.11 -2.43 0.52 0.00 -1.71 0.00 0.00 66.02 62.28 1xjt s SER 126 CO 0.19 -0.90 1.71 0.11 1.20 0.00 0.00 173.24 175.56 1xjt h LYS 127 N 8.75 0.05 -0.31 5.44 1.57 -1.96 0.46 116.57 130.55 1xjt h LYS 127 Ca -0.24 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.49 1xjt h LYS 127 Cb 1.08 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.38 1xjt h LYS 127 CO 0.98 0.52 0.11 0.00 -0.57 0.00 0.00 179.45 180.49 1xjt h ALA 128 N 1.47 0.41 0.00 3.86 0.00 -2.03 -3.12 119.26 119.85 1xjt h ALA 128 Ca -0.00 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1xjt h ALA 128 Cb 0.87 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.54 1xjt h ALA 128 CO 0.07 0.02 -0.65 0.54 0.00 0.00 0.00 179.25 179.23 1xjt n ARG 129 N -4.71 0.26 -2.95 0.00 1.74 -1.11 -5.25 116.66 104.66 1xjt n ARG 129 Ca -0.02 0.07 -0.11 0.00 -0.77 0.00 0.00 57.85 57.02 1xjt n ARG 129 Cb 0.15 -1.66 0.05 0.00 -1.02 0.00 0.00 32.46 29.98 1xjt n ARG 129 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1xjt n GLY 130 N 1.36 0.06 3.84 -0.13 0.00 0.16 -5.03 105.19 105.44 1xjt n GLY 130 Ca 0.03 -0.16 -0.38 0.00 0.00 0.00 0.00 46.02 45.52 1xjt n GLY 130 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1xjt s ARG 132 N -5.23 3.88 0.07 1.61 0.52 -1.26 -5.01 118.95 113.53 1xjt s ARG 132 Ca 0.16 0.37 0.02 0.00 -0.52 0.00 0.00 55.73 55.75 1xjt s ARG 132 Cb -0.07 -3.20 -0.03 0.00 0.52 0.00 0.00 34.95 32.17 1xjt s ARG 132 CO 0.40 0.68 -0.07 0.14 0.02 0.00 0.00 175.30 176.48 1xjt s VAL 133 N -1.11 0.61 0.26 3.52 -7.23 -0.28 -4.90 120.40 111.27 1xjt s VAL 133 Ca 0.24 -1.57 -0.30 0.00 -1.81 0.00 0.00 61.98 58.54 1xjt s VAL 133 Cb -0.16 -1.23 -0.14 0.00 0.56 0.00 0.00 36.38 35.41 1xjt s VAL 133 CO 0.13 -0.67 1.25 1.21 -0.31 0.00 0.00 175.10 176.71 1xjt n GLU 134 N 0.59 1.75 -1.94 4.82 2.13 -1.26 -1.38 120.64 125.35 1xjt n GLU 134 Ca -0.17 0.62 -0.32 0.00 0.66 0.00 0.00 57.16 57.95 1xjt n GLU 134 Cb 0.58 -2.17 0.02 0.00 0.27 0.00 0.00 31.44 30.14 1xjt n GLU 134 CO 0.00 0.00 0.00 0.95 -0.41 0.00 0.00 177.13 177.67 1xjt s THR 135 N -0.51 3.96 0.29 6.31 -4.23 -0.80 -4.79 115.64 115.87 1xjt s THR 135 Ca 0.64 0.84 -0.01 0.00 -1.18 0.00 0.00 61.69 61.99 1xjt s THR 135 Cb -0.68 -3.43 0.18 0.00 1.34 0.00 0.00 72.50 69.91 1xjt s THR 135 CO 0.55 -0.64 1.86 0.28 -0.54 0.00 0.00 174.62 176.14 1xjt h SER 136 N 0.14 0.77 -0.63 3.99 0.02 -1.92 -1.89 113.55 114.04 1xjt h SER 136 Ca -0.46 -0.11 -0.05 0.00 -0.84 0.00 0.00 61.79 60.33 1xjt h SER 136 Cb 1.21 -0.20 -0.03 0.00 0.14 0.00 0.00 62.40 63.52 1xjt h SER 136 CO 0.58 0.72 0.21 -0.29 -1.14 0.00 0.00 176.83 176.91 1xjt h ILE 137 N 0.83 1.24 -0.44 3.27 2.10 -1.91 -0.58 117.51 122.03 1xjt h ILE 137 Ca 0.19 -0.82 -0.11 0.00 1.08 0.00 0.00 64.86 65.21 1xjt h ILE 137 Cb 0.20 0.51 -0.01 0.00 -1.09 0.00 0.00 36.82 36.43 1xjt h ILE 137 CO -0.01 0.32 -0.14 -0.74 -1.08 0.00 0.00 178.15 176.50 1xjt h HIS 138 N 0.97 0.99 -0.43 2.19 2.76 -1.69 -1.71 115.15 118.24 1xjt h HIS 138 Ca 0.22 -0.22 0.07 0.00 -2.20 0.00 0.00 60.37 58.23 1xjt h HIS 138 Cb 0.26 -0.24 -0.06 0.00 1.55 0.00 0.00 27.41 28.93 1xjt h HIS 138 CO 0.02 0.99 0.09 0.87 -1.30 0.00 0.00 177.93 178.60 1xjt h LYS 139 N 0.71 0.22 -0.20 5.26 1.57 -0.61 -0.94 116.57 122.58 1xjt h LYS 139 Ca 0.11 -0.01 -0.18 0.00 -1.87 0.00 0.00 60.65 58.69 1xjt h LYS 139 Cb 0.69 -0.05 -0.00 0.00 0.08 0.00 0.00 32.23 32.95 1xjt h LYS 139 CO 0.05 0.15 -0.61 -1.49 -0.57 0.00 0.00 179.45 176.97 1xjt h TRP 140 N 0.23 0.88 -0.16 -1.35 -0.00 -1.09 -2.22 115.95 112.24 1xjt h TRP 140 Ca 0.21 -0.34 0.03 0.00 -0.00 0.00 0.00 58.89 58.79 1xjt h TRP 140 Cb 0.25 -0.16 -0.03 0.00 -0.00 0.00 0.00 29.16 29.23 1xjt h TRP 140 CO -0.20 1.12 -0.04 0.00 -0.00 0.00 0.00 178.44 179.32 1xjt h ALA 141 N 0.80 0.10 0.00 1.49 0.00 -1.10 -0.87 119.26 119.68 1xjt h ALA 141 Ca -0.01 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 1xjt h ALA 141 Cb 1.20 0.12 -0.00 0.00 0.00 0.00 0.00 17.79 19.11 1xjt h ALA 141 CO 0.12 -0.48 -0.07 1.96 0.00 0.00 0.00 179.25 180.78 1xjt h GLN 142 N -0.01 0.00 -0.00 0.00 1.08 -1.04 -0.71 115.11 114.43 1xjt h GLN 142 Ca 0.08 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.28 1xjt h GLN 142 Cb 0.12 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.55 1xjt h GLN 142 CO -0.16 0.07 -0.06 1.63 -0.95 0.00 0.00 178.83 179.36 1xjt n LYS 143 N -4.25 0.52 -1.69 1.46 5.02 -0.85 -4.92 118.16 113.45 1xjt n LYS 143 Ca -0.03 -0.09 -0.10 0.00 -2.02 0.00 0.00 58.31 56.07 1xjt n LYS 143 Cb 0.15 -1.50 -0.03 0.00 -0.02 0.00 0.00 35.03 33.64 1xjt n LYS 143 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1xjt n GLY 144 N 1.29 0.64 3.30 0.72 0.00 -0.27 -4.94 105.19 105.91 1xjt n GLY 144 Ca 0.14 -0.52 -0.44 0.00 0.00 0.00 0.00 46.02 45.20 1xjt n GLY 144 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1xjt n GLU 145 N -2.39 3.65 -0.13 1.61 -0.58 -0.40 -4.89 120.64 117.52 1xjt n GLU 145 Ca -0.11 -4.31 -0.02 0.00 -0.42 0.00 0.00 57.16 52.30 1xjt n GLU 145 Cb 0.45 -2.66 0.21 0.00 -0.57 0.00 0.00 31.44 28.87 1xjt n GLU 145 CO 0.00 0.00 0.00 -1.49 -0.48 0.00 0.00 177.13 175.16 1xjt h TRP 146 N 6.52 0.84 -0.29 -0.32 -0.00 -1.92 -2.88 115.95 117.90 1xjt h TRP 146 Ca 0.22 -0.06 -0.05 0.00 -0.00 0.00 0.00 58.89 58.99 1xjt h TRP 146 Cb 0.82 -0.25 -0.01 0.00 -0.00 0.00 0.00 29.16 29.72 1xjt h TRP 146 CO 0.88 0.68 -0.03 0.28 -0.00 0.00 0.00 178.44 180.25 1xjt h VAL 147 N 0.80 1.27 0.00 1.49 2.07 -1.96 -0.28 116.25 119.64 1xjt h VAL 147 Ca 0.18 -1.01 0.00 0.00 0.82 0.00 0.00 66.70 66.69 1xjt h VAL 147 Cb 0.24 1.35 0.00 0.00 -1.52 0.00 0.00 31.29 31.35 1xjt h VAL 147 CO -0.01 0.32 0.00 0.59 0.02 0.00 0.00 177.57 178.49 1xjt n ASN 148 N -4.54 0.10 0.00 0.57 3.02 -1.09 -1.59 115.26 111.73 1xjt n ASN 148 Ca -0.03 -0.09 0.00 0.00 -0.03 0.00 0.00 54.58 54.43 1xjt n ASN 148 Cb 0.28 -0.02 0.00 0.00 -0.61 0.00 0.00 39.78 39.43 1xjt n ASN 148 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1xjt n ASN 151 N 0.00 0.00 -0.79 0.00 3.02 -0.62 -1.81 115.26 115.06 1xjt n ASN 151 Ca 0.00 -0.32 0.12 0.00 -0.03 0.00 0.00 54.58 54.35 1xjt n ASN 151 Cb 0.00 -0.13 0.10 0.00 -0.61 0.00 0.00 39.78 39.15 1xjt n ASN 151 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 1xjt n HIS 152 N -1.13 0.00 -0.25 3.10 8.25 -1.15 -4.47 115.22 119.58 1xjt n HIS 152 Ca 0.12 0.00 0.01 0.00 -0.26 0.00 0.00 57.72 57.59 1xjt n HIS 152 Cb 0.10 -0.00 0.13 0.00 1.12 0.00 0.00 29.99 31.34 1xjt n HIS 152 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1xjt h LEU 153 N 3.86 0.49 0.00 2.41 3.38 -1.69 0.06 115.31 123.82 1xjt h LEU 153 Ca 0.00 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1xjt h LEU 153 Cb 0.89 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.61 1xjt h LEU 153 CO 0.00 0.29 0.00 -2.65 0.09 0.00 0.00 178.44 176.17 1xjt n PRO 154 N -4.84 0.04 0.23 1.13 -0.02 -1.26 -2.22 135.00 128.06 1xjt n PRO 154 Ca 0.11 0.16 0.08 0.00 -2.02 0.00 0.00 63.50 61.83 1xjt n PRO 154 Cb 0.26 -1.50 0.53 0.00 -0.02 0.00 0.00 33.50 32.77 1xjt n PRO 154 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1xjt h ASP 155 N 0.00 0.00 -2.85 2.55 3.32 -1.29 -3.38 116.42 114.76 1xjt h ASP 155 Ca 0.00 0.00 -0.78 0.00 0.02 0.00 0.00 57.03 56.27 1xjt h ASP 155 Cb 0.01 0.00 -0.30 0.00 0.22 0.00 0.00 39.33 39.26 1xjt h ASP 155 CO 0.00 0.23 0.57 0.49 -1.72 0.00 0.00 179.24 178.81 1xjt n PHE 156 N -3.84 2.60 -0.45 4.55 3.01 -0.94 -4.69 117.46 117.70 1xjt n PHE 156 Ca -0.02 -2.88 0.01 0.00 1.01 0.00 0.00 57.45 55.58 1xjt n PHE 156 Cb 0.33 -1.18 0.02 0.00 -0.01 0.00 0.00 39.48 38.64 1xjt n PHE 156 CO 0.00 0.00 0.00 1.33 1.01 0.00 0.00 176.76 179.10 1xjt n VAL 157 N 1.33 0.87 -4.06 -4.37 0.24 -1.26 -4.89 118.33 106.19 1xjt n VAL 157 Ca 0.26 -0.93 -0.34 0.00 -2.04 0.00 0.00 64.34 61.30 1xjt n VAL 157 Cb 0.34 0.50 -0.07 0.00 -1.47 0.00 0.00 33.84 33.15 1xjt n VAL 157 CO 0.00 0.00 0.00 0.20 -2.14 0.00 0.00 176.83 174.89 1xjt s ASN 158 N -1.06 5.84 -0.06 -1.34 0.01 -1.26 -0.47 114.94 116.59 1xjt s ASN 158 Ca 0.05 0.21 0.02 0.00 -0.71 0.00 0.00 52.86 52.43 1xjt s ASN 158 Cb 0.04 -1.73 0.01 0.00 0.41 0.00 0.00 41.25 39.98 1xjt s ASN 158 CO 0.00 0.29 -0.11 -0.55 -1.51 0.00 0.00 177.10 175.22 1xjt s SER 159 N -1.65 1.66 -1.67 -1.22 0.15 0.18 -4.75 113.70 106.41 1xjt s SER 159 Ca 0.22 -0.28 -0.17 0.00 0.70 0.00 0.00 55.95 56.43 1xjt s SER 159 Cb -0.12 -0.77 0.14 0.00 -1.71 0.00 0.00 66.02 63.56 1xjt s SER 159 CO 0.13 0.03 0.77 0.59 1.20 0.00 0.00 173.24 175.96 1xjt n ASN 160 N 3.82 -3.16 -1.48 5.45 3.02 -1.26 -1.12 115.26 120.53 1xjt n ASN 160 Ca -0.23 -0.99 -0.11 0.00 -0.03 0.00 0.00 54.58 53.22 1xjt n ASN 160 Cb 0.52 -2.86 0.01 0.00 -0.61 0.00 0.00 39.78 36.83 1xjt n ASN 160 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1xjt n GLY 161 N -1.48 0.04 3.04 7.41 0.00 -1.26 -5.03 105.19 107.91 1xjt n GLY 161 Ca 0.04 -0.37 -0.13 0.00 0.00 0.00 0.00 46.02 45.56 1xjt n GLY 161 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xjt s VAL 162 N -2.74 -0.04 0.22 1.61 1.01 -0.27 -5.09 120.40 115.09 1xjt s VAL 162 Ca 0.10 0.13 -0.30 0.00 0.00 0.00 0.00 61.98 61.92 1xjt s VAL 162 Cb -0.04 -0.35 -0.09 0.00 0.00 0.00 0.00 36.38 35.90 1xjt s VAL 162 CO 0.12 0.05 1.21 -2.16 0.00 0.00 0.00 175.10 174.33 1xjt s PRO 163 N 1.09 4.48 -0.14 2.72 0.04 -1.26 0.49 135.00 142.43 1xjt s PRO 163 Ca -0.08 1.93 -0.03 0.00 0.04 0.00 0.00 61.00 62.86 1xjt s PRO 163 Cb -0.09 -3.21 -0.03 0.00 0.04 0.00 0.00 34.50 31.21 1xjt s PRO 163 CO -0.07 -0.08 -0.04 -0.51 0.04 0.00 0.00 177.00 176.35 1xjt s LEU 164 N -0.57 3.28 0.25 -3.56 1.02 0.37 -4.90 118.68 114.58 1xjt s LEU 164 Ca 0.52 -0.08 -0.04 0.00 0.02 0.00 0.00 54.13 54.55 1xjt s LEU 164 Cb -0.34 -1.78 0.51 0.00 0.02 0.00 0.00 46.19 44.60 1xjt s LEU 164 CO 0.39 0.22 1.67 -0.09 0.02 0.00 0.00 176.35 178.56 1xjt h ARG 165 N 6.35 0.24 -0.56 1.70 2.43 -1.96 0.55 114.38 123.12 1xjt h ARG 165 Ca -0.35 -0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 58.77 1xjt h ARG 165 Cb 1.19 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 30.66 1xjt h ARG 165 CO 0.61 0.16 0.23 0.78 -1.51 0.00 0.00 179.97 180.23 1xjt h GLY 166 N 0.24 0.87 1.76 2.80 0.00 -1.96 -0.08 103.07 106.72 1xjt h GLY 166 Ca 0.44 -0.44 -0.21 0.00 0.00 0.00 0.00 47.33 47.13 1xjt h GLY 166 CO -0.56 0.42 -0.94 1.41 0.00 0.00 0.00 176.54 176.87 1xjt h LEU 167 N 0.81 0.28 0.32 3.11 3.38 -1.57 -0.58 115.31 121.06 1xjt h LEU 167 Ca 0.19 -0.24 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 1xjt h LEU 167 Cb 0.16 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 1xjt h LEU 167 CO -0.02 1.07 -0.21 0.11 0.09 0.00 0.00 178.44 179.49 1xjt h LYS 168 N 0.10 -0.49 -0.50 1.13 1.57 -0.45 0.12 116.57 118.05 1xjt h LYS 168 Ca -0.06 0.03 0.08 0.00 -1.87 0.00 0.00 60.65 58.84 1xjt h LYS 168 Cb 1.59 0.11 -0.07 0.00 0.08 0.00 0.00 32.23 33.95 1xjt h LYS 168 CO 0.14 -0.33 0.12 0.82 -0.57 0.00 0.00 179.45 179.64 1xjt h ILE 169 N -0.51 0.74 -0.27 1.86 2.04 -1.00 -1.73 117.51 118.64 1xjt h ILE 169 Ca -0.03 -0.09 -0.03 0.00 1.00 0.00 0.00 64.86 65.70 1xjt h ILE 169 Cb 0.43 0.45 -0.01 0.00 -0.74 0.00 0.00 36.82 36.95 1xjt h ILE 169 CO 0.03 0.05 0.04 -0.09 0.00 0.00 0.00 178.15 178.18 1xjt h ARG 170 N 0.27 0.45 -0.10 2.37 2.43 -0.84 -1.48 114.38 117.47 1xjt h ARG 170 Ca 0.25 -0.12 -0.03 0.00 -0.81 0.00 0.00 59.98 59.27 1xjt h ARG 170 Cb 0.32 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.81 1xjt h ARG 170 CO -0.31 0.57 -0.07 0.00 -1.51 0.00 0.00 179.97 178.65 1xjt h ARG 171 N 0.27 0.15 -0.04 0.20 2.47 -0.49 -0.85 114.38 116.08 1xjt h ARG 171 Ca 0.08 -0.02 -0.24 0.00 -1.26 0.00 0.00 59.98 58.54 1xjt h ARG 171 Cb 0.34 -0.03 0.01 0.00 -1.65 0.00 0.00 29.97 28.64 1xjt h ARG 171 CO 0.01 0.24 -0.93 1.49 0.56 0.00 0.00 179.97 181.33 1xjt h GLU 172 N 0.15 0.63 -0.80 0.04 4.57 -1.03 0.80 114.58 118.93 1xjt h GLU 172 Ca 0.03 -0.62 -0.03 0.00 -1.18 0.00 0.00 59.36 57.57 1xjt h GLU 172 Cb 0.23 0.16 -0.04 0.00 -0.16 0.00 0.00 28.75 28.94 1xjt h GLU 172 CO 0.01 1.22 0.39 0.87 -1.18 0.00 0.00 179.01 180.32 1xjt h LYS 173 N 0.38 1.14 -0.19 1.92 1.57 -0.81 -1.15 116.57 119.44 1xjt h LYS 173 Ca -0.09 -0.17 -0.02 0.00 -1.87 0.00 0.00 60.65 58.50 1xjt h LYS 173 Cb 1.56 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 33.66 1xjt h LYS 173 CO 0.18 0.88 0.04 0.93 -0.57 0.00 0.00 179.45 180.91 1xjt h GLU 174 N 1.13 0.31 -0.81 3.15 5.08 -1.03 -2.14 114.58 120.26 1xjt h GLU 174 Ca 0.27 -0.08 0.08 0.00 -1.00 0.00 0.00 59.36 58.64 1xjt h GLU 174 Cb 0.11 -0.04 -0.07 0.00 0.50 0.00 0.00 28.75 29.26 1xjt h GLU 174 CO -0.04 0.45 0.48 -0.09 -1.00 0.00 0.00 179.01 178.81 1xjt h ARG 175 N 0.11 0.80 -0.57 2.33 2.43 -0.62 0.92 114.38 119.79 1xjt h ARG 175 Ca 0.06 -0.05 -0.09 0.00 -0.81 0.00 0.00 59.98 59.09 1xjt h ARG 175 Cb 0.29 -0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 29.63 1xjt h ARG 175 CO 0.00 0.53 0.01 1.96 -1.51 0.00 0.00 179.97 180.97 1xjt h GLN 176 N 0.83 0.97 -0.00 0.20 1.08 -1.02 -2.02 115.11 115.15 1xjt h GLN 176 Ca 0.38 -0.28 -0.00 0.00 -1.45 0.00 0.00 58.65 57.29 1xjt h GLN 176 Cb 0.28 -0.10 -0.00 0.00 -0.05 0.00 0.00 27.48 27.61 1xjt h GLN 176 CO -0.22 0.95 0.00 1.25 -0.95 0.00 0.00 178.83 179.86 1xjt h LEU 177 N 0.89 0.00 -0.80 1.46 5.85 -0.87 -2.77 115.31 119.08 1xjt h LEU 177 Ca 0.17 -0.28 0.18 0.00 0.84 0.00 0.00 57.88 58.78 1xjt h LEU 177 Cb 0.50 -0.00 -0.11 0.00 0.37 0.00 0.00 40.66 41.42 1xjt h LEU 177 CO 0.02 0.28 0.28 0.00 -0.34 0.00 0.00 178.44 178.69 1xjt n LEU 179 N -5.09 0.39 -4.72 0.00 4.77 -0.78 -3.24 117.00 108.33 1xjt n LEU 179 Ca 0.17 0.12 -0.42 0.00 -0.03 0.00 0.00 56.01 55.86 1xjt n LEU 179 Cb 0.53 -0.31 -0.03 0.00 -2.33 0.00 0.00 43.42 41.28 1xjt n LEU 179 CO 0.13 0.09 0.93 0.28 -1.33 0.00 0.00 177.39 177.49 1xjt s THR 180 N -2.95 3.81 0.00 -5.08 -1.32 -0.53 -0.64 115.64 108.93 1xjt s THR 180 Ca 0.13 1.32 0.00 0.00 -1.21 0.00 0.00 61.69 61.93 1xjt s THR 180 Cb 0.18 -3.84 0.00 0.00 -1.51 0.00 0.00 72.50 67.33 1xjt s THR 180 CO 0.63 0.11 0.00 0.61 -2.21 0.00 0.00 174.62 173.77 1xjt n GLY 181 N 3.20 1.23 0.02 6.08 0.00 -1.26 -4.83 105.19 109.63 1xjt n GLY 181 Ca 0.09 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.16 1xjt n GLY 181 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1xjt n LEU 182 N 0.00 0.00 -4.33 0.99 4.77 0.18 -5.02 117.00 113.59 1xjt n LEU 182 Ca 0.00 0.00 -0.17 0.00 -0.03 0.00 0.00 56.01 55.81 1xjt n LEU 182 Cb 0.00 0.09 -0.10 0.00 -2.33 0.00 0.00 43.42 41.08 1xjt n LEU 182 CO 0.00 0.09 -0.28 0.68 -1.33 0.00 0.00 177.39 176.56 1xjt s VAL 183 N -3.00 0.75 -0.06 4.08 -7.23 -1.13 -5.04 120.40 108.77 1xjt s VAL 183 Ca -0.07 -2.00 -0.31 0.00 -1.81 0.00 0.00 61.98 57.79 1xjt s VAL 183 Cb 0.09 -2.57 -0.10 0.00 0.56 0.00 0.00 36.38 34.37 1xjt s VAL 183 CO 0.70 -0.10 1.99 -3.20 -0.31 0.00 0.00 175.10 174.18 1xjt n ASN 184 N -0.47 3.71 0.06 4.85 2.85 -1.26 -4.80 115.26 120.20 1xjt n ASN 184 Ca -0.02 0.81 0.03 0.00 -0.11 0.00 0.00 54.58 55.29 1xjt n ASN 184 Cb 0.66 -1.47 0.18 0.00 1.24 0.00 0.00 39.78 40.39 1xjt n ASN 184 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 1xjt n GLU 185 N 7.44 0.04 0.00 1.20 4.71 -1.26 -5.05 120.64 127.73 1xjt n GLU 185 Ca 0.23 0.48 0.00 0.00 -0.01 0.00 0.00 57.16 57.86 1xjt n GLU 185 Cb 0.37 -1.76 0.00 0.00 -1.01 0.00 0.00 31.44 29.03 1xjt n GLU 185 CO 0.00 0.00 0.00 0.72 0.09 0.00 0.00 177.13 177.94