#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sjr n ALA 41 N 0.00 -1.36 -3.93 -5.12 0.00 -1.26 -4.99 120.51 103.85 1sjr n ALA 41 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.32 1sjr n ALA 41 Cb 0.00 -0.44 -0.01 0.00 0.00 0.00 0.00 19.45 18.99 1sjr n ALA 41 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sjr n GLY 42 N 1.90 3.35 0.08 0.00 0.00 -1.26 -5.08 105.19 104.18 1sjr n GLY 42 Ca 0.00 -2.25 0.00 0.00 0.00 0.00 0.00 46.02 43.77 1sjr n GLY 42 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sjr n GLN 43 N -0.82 0.00 -3.40 1.61 10.64 -1.26 -5.09 117.38 119.07 1sjr n GLN 43 Ca -0.04 0.08 -0.15 0.00 -1.83 0.00 0.00 57.00 55.06 1sjr n GLN 43 Cb 0.26 0.00 -0.10 0.00 -0.86 0.00 0.00 30.24 29.54 1sjr n GLN 43 CO 0.00 0.00 0.00 0.45 -1.83 0.00 0.00 177.06 175.68 1sjr s SER 44 N -0.40 1.14 -1.07 2.61 0.15 -1.26 -5.03 113.70 109.84 1sjr s SER 44 Ca 0.00 -0.37 -0.22 0.00 0.70 0.00 0.00 55.95 56.06 1sjr s SER 44 Cb 0.00 0.68 0.01 0.00 -1.71 0.00 0.00 66.02 65.01 1sjr s SER 44 CO 0.00 -0.35 1.68 -2.16 1.20 0.00 0.00 173.24 173.61 1sjr s PRO 45 N 2.42 3.30 -0.20 5.44 0.04 -1.26 -4.89 135.00 139.84 1sjr s PRO 45 Ca 0.10 -1.11 -0.04 0.00 0.04 0.00 0.00 61.00 59.98 1sjr s PRO 45 Cb -0.14 -5.31 0.08 0.00 0.04 0.00 0.00 34.50 29.16 1sjr s PRO 45 CO -0.24 -2.71 0.14 0.08 0.04 0.00 0.00 177.00 174.32 1sjr s VAL 46 N 6.74 -0.17 -0.13 -0.36 1.01 -1.26 0.93 120.40 127.16 1sjr s VAL 46 Ca 0.56 -0.25 -0.05 0.00 0.00 0.00 0.00 61.98 62.24 1sjr s VAL 46 Cb -0.01 -0.68 -0.04 0.00 0.00 0.00 0.00 36.38 35.66 1sjr s VAL 46 CO -0.01 -0.33 0.04 -0.76 0.00 0.00 0.00 175.10 174.03 1sjr s LEU 47 N 2.20 3.74 -0.33 3.92 1.43 -0.29 -0.69 118.68 128.66 1sjr s LEU 47 Ca 0.05 0.14 -0.07 0.00 -1.03 0.00 0.00 54.13 53.22 1sjr s LEU 47 Cb -0.16 -1.90 0.03 0.00 0.03 0.00 0.00 46.19 44.19 1sjr s LEU 47 CO -0.15 0.28 0.11 -0.60 0.23 0.00 0.00 176.35 176.22 1sjr s ARG 48 N -0.30 2.71 0.26 1.70 3.00 0.11 -1.51 118.95 124.93 1sjr s ARG 48 Ca 0.08 -1.12 -0.19 0.00 -1.00 0.00 0.00 55.73 53.50 1sjr s ARG 48 Cb -0.12 -3.46 -0.09 0.00 0.00 0.00 0.00 34.95 31.28 1sjr s ARG 48 CO 0.02 -0.63 0.76 0.42 0.00 0.00 0.00 175.30 175.87 1sjr s ILE 49 N 1.43 4.55 -0.16 4.11 1.01 0.50 -2.31 121.20 130.33 1sjr s ILE 49 Ca -0.01 1.26 -0.03 0.00 0.00 0.00 0.00 60.65 61.87 1sjr s ILE 49 Cb -0.19 -3.80 0.05 0.00 0.01 0.00 0.00 42.46 38.53 1sjr s ILE 49 CO 0.03 0.08 0.05 -0.63 0.00 0.00 0.00 174.94 174.47 1sjr s ILE 50 N -1.67 0.27 0.18 2.92 1.01 0.32 -0.46 121.20 123.76 1sjr s ILE 50 Ca 0.47 -0.28 -0.22 0.00 0.00 0.00 0.00 60.65 60.62 1sjr s ILE 50 Cb -0.15 -0.77 -0.08 0.00 0.01 0.00 0.00 42.46 41.48 1sjr s ILE 50 CO 0.20 -0.15 0.72 -0.69 0.00 0.00 0.00 174.94 175.02 1sjr s VAL 51 N 1.98 4.51 0.10 2.92 1.01 -1.02 -1.47 120.40 128.44 1sjr s VAL 51 Ca 0.01 1.45 0.01 0.00 0.00 0.00 0.00 61.98 63.45 1sjr s VAL 51 Cb -0.16 -3.98 -0.00 0.00 0.00 0.00 0.00 36.38 32.24 1sjr s VAL 51 CO -0.08 0.39 0.03 -0.62 0.00 0.00 0.00 175.10 174.82 1sjr n GLU 52 N 1.23 1.02 -3.13 2.72 1.02 -1.08 -4.33 120.64 118.10 1sjr n GLU 52 Ca -0.05 -0.81 -0.00 0.00 -0.02 0.00 0.00 57.16 56.28 1sjr n GLU 52 Cb 0.50 0.40 -0.00 0.00 -0.02 0.00 0.00 31.44 32.32 1sjr n GLU 52 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1sjr n ASN 53 N -1.77 -7.05 -4.75 1.62 3.02 -1.26 -3.90 115.26 101.18 1sjr n ASN 53 Ca -0.02 0.69 -0.37 0.00 -0.03 0.00 0.00 54.58 54.85 1sjr n ASN 53 Cb 0.14 -1.62 0.04 0.00 -0.61 0.00 0.00 39.78 37.73 1sjr n ASN 53 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1sjr s LEU 54 N -0.52 3.69 0.00 3.41 2.01 -1.26 -3.90 118.68 122.11 1sjr s LEU 54 Ca -0.00 2.49 0.00 0.00 0.01 0.00 0.00 54.13 56.63 1sjr s LEU 54 Cb 0.00 -4.54 0.00 0.00 0.01 0.00 0.00 46.19 41.66 1sjr s LEU 54 CO 0.01 -1.64 0.00 0.33 1.01 0.00 0.00 176.35 176.07 1sjr n PHE 55 N -1.51 -0.08 -4.14 0.29 -0.00 -1.26 -4.96 117.46 105.80 1sjr n PHE 55 Ca 0.13 0.00 -0.28 0.00 -0.00 0.00 0.00 57.45 57.30 1sjr n PHE 55 Cb 0.49 0.02 -0.07 0.00 -0.00 0.00 0.00 39.48 39.91 1sjr n PHE 55 CO 0.00 0.00 0.00 0.71 -0.00 0.00 0.00 176.76 177.47 1sjr s TYR 56 N -0.22 2.98 0.53 -5.13 1.51 -1.26 -5.11 117.35 110.65 1sjr s TYR 56 Ca 0.00 -0.06 -0.19 0.00 -1.01 0.00 0.00 57.07 55.81 1sjr s TYR 56 Cb 0.00 -1.48 -0.06 0.00 -0.11 0.00 0.00 41.96 40.30 1sjr s TYR 56 CO 0.00 0.50 1.08 -1.25 -1.11 0.00 0.00 175.55 174.77 1sjr s PRO 57 N -2.67 3.53 0.47 -1.71 0.04 -1.26 -5.05 135.00 128.35 1sjr s PRO 57 Ca 0.27 1.43 0.02 0.00 0.04 0.00 0.00 61.00 62.77 1sjr s PRO 57 Cb -0.11 -2.05 -0.02 0.00 0.04 0.00 0.00 34.50 32.37 1sjr s PRO 57 CO 0.19 -0.67 0.06 0.08 0.04 0.00 0.00 177.00 176.71 1sjr s VAL 58 N -1.98 0.87 0.37 -0.36 1.01 -1.26 -5.17 120.40 113.88 1sjr s VAL 58 Ca 0.69 -2.00 -0.16 0.00 0.00 0.00 0.00 61.98 60.51 1sjr s VAL 58 Cb -0.19 -2.22 0.06 0.00 0.00 0.00 0.00 36.38 34.03 1sjr s VAL 58 CO 0.26 0.00 0.80 0.28 0.00 0.00 0.00 175.10 176.44 1sjr s THR 59 N -3.02 0.00 -0.04 3.92 -1.32 -1.26 -5.07 115.64 108.85 1sjr s THR 59 Ca 0.13 -0.98 -0.25 0.00 -1.21 0.00 0.00 61.69 59.38 1sjr s THR 59 Cb 0.02 -2.86 -0.22 0.00 -1.51 0.00 0.00 72.50 67.93 1sjr s THR 59 CO 0.08 0.00 1.10 -0.07 -2.21 0.00 0.00 174.62 173.52 1sjr h LEU 60 N 2.00 0.18 -1.63 9.08 4.07 -1.96 -3.08 115.31 123.97 1sjr h LEU 60 Ca -0.32 -0.69 0.42 0.00 0.08 0.00 0.00 57.88 57.37 1sjr h LEU 60 Cb 1.25 -0.05 -0.06 0.00 1.08 0.00 0.00 40.66 42.88 1sjr h LEU 60 CO 0.40 0.85 1.23 0.44 -1.08 0.00 0.00 178.44 180.28 1sjr h ASP 61 N -0.48 0.00 0.00 -0.43 3.32 -1.99 0.49 116.42 117.34 1sjr h ASP 61 Ca -0.01 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 56.93 1sjr h ASP 61 Cb 0.85 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.38 1sjr h ASP 61 CO 0.03 0.00 -0.60 0.58 -1.72 0.00 0.00 179.24 177.53 1sjr h VAL 62 N 0.00 1.35 -0.67 -1.35 2.07 -1.98 -2.93 116.25 112.74 1sjr h VAL 62 Ca 0.68 -2.24 0.05 0.00 0.82 0.00 0.00 66.70 66.01 1sjr h VAL 62 Cb 3.14 2.78 -0.04 0.00 -1.52 0.00 0.00 31.29 35.64 1sjr h VAL 62 CO -0.01 0.46 0.44 -0.07 0.02 0.00 0.00 177.57 178.41 1sjr h LEU 63 N -1.00 0.64 0.37 2.57 3.38 -0.10 -1.17 115.31 120.00 1sjr h LEU 63 Ca -0.17 -0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.78 1sjr h LEU 63 Cb 1.13 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.74 1sjr h LEU 63 CO -0.10 0.43 -0.18 -0.74 0.09 0.00 0.00 178.44 177.95 1sjr h HIS 64 N 0.74 -0.46 0.00 1.13 2.76 -0.78 -2.12 115.15 116.43 1sjr h HIS 64 Ca 0.28 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.44 1sjr h HIS 64 Cb 0.16 0.15 0.00 0.00 1.55 0.00 0.00 27.41 29.27 1sjr h HIS 64 CO -0.00 -0.22 0.25 1.96 -1.30 0.00 0.00 177.93 178.62 1sjr h GLN 65 N -1.09 0.00 0.00 5.26 4.20 -1.39 0.93 115.11 123.02 1sjr h GLN 65 Ca -0.05 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.66 1sjr h GLN 65 Cb 0.44 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.22 1sjr h GLN 65 CO 0.08 0.00 -0.05 0.82 -0.67 0.00 0.00 178.83 179.01 1sjr h ILE 66 N 0.00 0.00 0.00 2.54 2.04 -1.16 -3.38 117.51 117.55 1sjr h ILE 66 Ca 0.00 -0.31 0.00 0.00 1.00 0.00 0.00 64.86 65.55 1sjr h ILE 66 Cb 0.51 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.59 1sjr h ILE 66 CO 0.00 0.00 0.00 0.49 0.00 0.00 0.00 178.15 178.64 1sjr n PHE 67 N -2.90 0.66 0.82 1.37 3.01 -0.80 -2.31 117.46 117.31 1sjr n PHE 67 Ca -0.01 0.26 0.08 0.00 1.01 0.00 0.00 57.45 58.79 1sjr n PHE 67 Cb 0.03 -0.91 0.43 0.00 -0.01 0.00 0.00 39.48 39.01 1sjr n PHE 67 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 1sjr n SER 68 N -2.10 0.00 -0.11 4.37 2.88 0.32 -2.04 113.62 116.95 1sjr n SER 68 Ca 0.03 -0.03 -0.23 0.00 -1.33 0.00 0.00 58.87 57.30 1sjr n SER 68 Cb 0.23 -0.25 -0.11 0.00 -0.75 0.00 0.00 64.21 63.33 1sjr n SER 68 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 1sjr n LYS 69 N -1.25 0.58 0.00 -1.46 0.00 -0.98 -4.12 118.16 110.94 1sjr n LYS 69 Ca 0.09 0.50 0.11 0.00 0.00 0.00 0.00 58.31 59.00 1sjr n LYS 69 Cb 0.12 -1.70 0.52 0.00 0.00 0.00 0.00 35.03 33.97 1sjr n LYS 69 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.40 178.59 1sjr n PHE 70 N -4.34 0.00 0.00 5.64 3.01 -1.16 -4.87 117.46 115.74 1sjr n PHE 70 Ca -0.36 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.10 1sjr n PHE 70 Cb 0.74 -0.39 0.00 0.00 -0.01 0.00 0.00 39.48 39.82 1sjr n PHE 70 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1sjr n GLY 71 N 0.69 0.68 3.55 1.37 0.00 -0.87 -4.65 105.19 105.97 1sjr n GLY 71 Ca 0.08 -0.66 -0.39 0.00 0.00 0.00 0.00 46.02 45.04 1sjr n GLY 71 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1sjr s THR 72 N -2.00 3.55 -0.43 2.61 2.01 -1.26 -3.59 115.64 116.53 1sjr s THR 72 Ca 0.00 0.26 -0.28 0.00 0.31 0.00 0.00 61.69 61.98 1sjr s THR 72 Cb 0.00 -4.44 -0.01 0.00 0.01 0.00 0.00 72.50 68.06 1sjr s THR 72 CO 0.00 -1.40 1.69 -0.69 -0.69 0.00 0.00 174.62 173.54 1sjr s VAL 73 N 7.39 3.57 -0.03 3.82 1.01 -1.26 -3.22 120.40 131.69 1sjr s VAL 73 Ca 0.51 0.54 -0.16 0.00 0.00 0.00 0.00 61.98 62.87 1sjr s VAL 73 Cb -0.10 -3.90 -0.09 0.00 0.00 0.00 0.00 36.38 32.29 1sjr s VAL 73 CO 0.17 -0.66 0.68 -0.07 0.00 0.00 0.00 175.10 175.22 1sjr h LEU 74 N 13.86 -0.49 -8.65 3.92 3.38 -1.87 -3.43 115.31 122.04 1sjr h LEU 74 Ca -0.30 0.02 -0.32 0.00 0.09 0.00 0.00 57.88 57.37 1sjr h LEU 74 Cb 1.15 0.13 -0.15 0.00 0.09 0.00 0.00 40.66 41.88 1sjr h LEU 74 CO 1.09 -0.08 -0.70 -0.54 0.09 0.00 0.00 178.44 178.30 1sjr s LYS 75 N -3.44 1.07 0.04 1.13 1.02 -1.26 0.89 119.74 119.19 1sjr s LYS 75 Ca -0.08 -1.47 -0.06 0.00 0.02 0.00 0.00 55.97 54.37 1sjr s LYS 75 Cb 0.01 -0.55 -0.01 0.00 -0.52 0.00 0.00 37.83 36.76 1sjr s LYS 75 CO 0.25 0.03 0.12 0.42 -0.92 0.00 0.00 175.35 175.25 1sjr s ILE 76 N -3.39 0.13 0.08 2.17 1.01 0.59 -2.72 121.20 119.05 1sjr s ILE 76 Ca 0.18 -1.05 -0.06 0.00 0.00 0.00 0.00 60.65 59.73 1sjr s ILE 76 Cb 0.03 -0.90 -0.02 0.00 0.01 0.00 0.00 42.46 41.59 1sjr s ILE 76 CO 0.01 -0.58 0.10 -0.63 0.00 0.00 0.00 174.94 173.85 1sjr s ILE 77 N -2.60 0.17 -0.00 2.92 1.01 0.27 0.84 121.20 123.80 1sjr s ILE 77 Ca -0.05 -1.45 -0.11 0.00 0.00 0.00 0.00 60.65 59.04 1sjr s ILE 77 Cb -0.01 -1.44 0.01 0.00 0.01 0.00 0.00 42.46 41.03 1sjr s ILE 77 CO -0.04 -0.77 0.22 0.42 0.00 0.00 0.00 174.94 174.77 1sjr s THR 78 N -3.89 0.07 0.19 2.92 -4.23 0.28 -0.87 115.64 110.10 1sjr s THR 78 Ca 0.06 -0.59 -0.22 0.00 -1.18 0.00 0.00 61.69 59.76 1sjr s THR 78 Cb 0.06 -0.54 0.07 0.00 1.34 0.00 0.00 72.50 73.44 1sjr s THR 78 CO -0.10 -0.33 1.03 0.72 -0.54 0.00 0.00 174.62 175.40 1sjr s PHE 79 N -1.40 0.05 -0.22 3.99 -0.71 -1.11 -4.68 117.98 113.90 1sjr s PHE 79 Ca -0.14 -0.44 -0.01 0.00 -1.04 0.00 0.00 56.93 55.30 1sjr s PHE 79 Cb -0.06 0.70 0.06 0.00 -1.21 0.00 0.00 43.02 42.51 1sjr s PHE 79 CO 0.03 -0.93 -0.01 0.99 -1.34 0.00 0.00 175.22 173.96 1sjr s THR 80 N -2.30 1.07 -0.66 -4.49 2.01 -1.26 -1.20 115.64 108.81 1sjr s THR 80 Ca 0.20 -0.94 -0.23 0.00 0.31 0.00 0.00 61.69 61.03 1sjr s THR 80 Cb -0.02 -1.46 0.07 0.00 0.01 0.00 0.00 72.50 71.09 1sjr s THR 80 CO 0.05 -0.17 0.99 -0.75 -0.69 0.00 0.00 174.62 174.06 1sjr s LYS 81 N 1.60 3.12 -1.50 4.92 2.20 0.00 -4.10 119.74 125.99 1sjr s LYS 81 Ca -0.03 -0.76 -0.06 0.00 -0.36 0.00 0.00 55.97 54.75 1sjr s LYS 81 Cb -0.18 -4.22 0.02 0.00 -1.51 0.00 0.00 37.83 31.94 1sjr s LYS 81 CO -0.07 -1.84 0.71 -1.71 -0.36 0.00 0.00 175.35 172.08 1sjr n ASN 82 N 7.86 -5.88 -0.39 1.43 5.15 -1.26 -2.50 115.26 119.67 1sjr n ASN 82 Ca -0.03 -0.36 0.00 0.00 -0.60 0.00 0.00 54.58 53.59 1sjr n ASN 82 Cb 0.46 -4.74 0.00 0.00 -0.53 0.00 0.00 39.78 34.97 1sjr n ASN 82 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 1sjr n ASN 83 N -2.60 -1.44 -3.65 1.20 2.85 -1.26 -5.07 115.26 105.29 1sjr n ASN 83 Ca -0.08 0.00 -0.27 0.00 -0.11 0.00 0.00 54.58 54.13 1sjr n ASN 83 Cb 0.60 -0.36 -0.17 0.00 1.24 0.00 0.00 39.78 41.09 1sjr n ASN 83 CO 0.00 0.00 0.00 -1.58 -2.11 0.00 0.00 177.26 173.57 1sjr s GLN 84 N -3.52 0.26 0.58 1.20 0.74 -1.04 -5.10 119.66 112.78 1sjr s GLN 84 Ca 0.00 -0.22 -0.20 0.00 0.05 0.00 0.00 55.36 54.98 1sjr s GLN 84 Cb 0.00 -1.89 -0.04 0.00 1.10 0.00 0.00 33.01 32.18 1sjr s GLN 84 CO 0.00 -0.68 1.31 -0.59 -0.55 0.00 0.00 175.29 174.78 1sjr s PHE 85 N 2.04 2.26 0.31 1.67 -0.12 -1.26 -0.82 117.98 122.07 1sjr s PHE 85 Ca 0.02 1.43 -0.19 0.00 -0.05 0.00 0.00 56.93 58.13 1sjr s PHE 85 Cb -0.16 -3.72 0.03 0.00 -0.63 0.00 0.00 43.02 38.54 1sjr s PHE 85 CO -0.10 -2.77 0.74 -0.65 -0.05 0.00 0.00 175.22 172.39 1sjr s GLN 86 N -3.08 1.93 0.08 1.99 -0.21 -0.34 -2.42 119.66 117.60 1sjr s GLN 86 Ca 0.75 -1.13 -0.23 0.00 0.02 0.00 0.00 55.36 54.77 1sjr s GLN 86 Cb -0.38 0.62 0.06 0.00 1.00 0.00 0.00 33.01 34.30 1sjr s GLN 86 CO 0.43 -0.89 0.56 0.00 -2.12 0.00 0.00 175.29 173.27 1sjr s ALA 87 N -3.41 -1.44 0.05 6.09 0.00 0.40 -2.76 121.76 120.68 1sjr s ALA 87 Ca 0.12 0.61 -0.00 0.00 0.00 0.00 0.00 51.96 52.69 1sjr s ALA 87 Cb -0.06 0.52 -0.04 0.00 0.00 0.00 0.00 23.12 23.54 1sjr s ALA 87 CO 0.08 -0.58 -0.04 -0.51 0.00 0.00 0.00 175.76 174.71 1sjr s LEU 88 N -2.18 2.44 -0.27 0.00 1.43 -0.05 0.19 118.68 120.24 1sjr s LEU 88 Ca -0.03 -0.90 -0.23 0.00 -1.03 0.00 0.00 54.13 51.93 1sjr s LEU 88 Cb -0.00 0.12 0.09 0.00 0.03 0.00 0.00 46.19 46.42 1sjr s LEU 88 CO -0.05 -0.51 0.80 -1.48 0.23 0.00 0.00 176.35 175.34 1sjr s LEU 89 N -2.65 -0.70 -0.63 1.79 0.05 -0.57 -0.56 118.68 115.40 1sjr s LEU 89 Ca 0.03 1.30 -0.15 0.00 0.05 0.00 0.00 54.13 55.37 1sjr s LEU 89 Cb 0.04 2.30 0.16 0.00 -2.05 0.00 0.00 46.19 46.63 1sjr s LEU 89 CO -0.07 -0.22 0.58 -1.58 -0.55 0.00 0.00 176.35 174.51 1sjr s GLN 90 N 0.56 3.16 1.18 1.48 2.00 -1.10 -1.13 119.66 125.81 1sjr s GLN 90 Ca -0.01 -1.96 -0.17 0.00 -2.00 0.00 0.00 55.36 51.22 1sjr s GLN 90 Cb -0.05 -4.32 0.22 0.00 0.80 0.00 0.00 33.01 29.66 1sjr s GLN 90 CO -0.04 -1.31 0.51 0.66 -0.50 0.00 0.00 175.29 174.61 1sjr n TYR 91 N 4.80 -1.69 0.01 1.67 4.01 0.26 -3.33 117.16 122.90 1sjr n TYR 91 Ca -0.05 -0.10 -0.22 0.00 -0.16 0.00 0.00 57.90 57.38 1sjr n TYR 91 Cb 0.42 -1.58 -0.14 0.00 -0.31 0.00 0.00 39.34 37.73 1sjr n TYR 91 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1sjr h ALA 92 N -2.55 0.36 -4.13 -0.72 0.00 -1.79 -3.43 119.26 107.00 1sjr h ALA 92 Ca -0.55 -1.32 -0.53 0.00 0.00 0.00 0.00 54.91 52.51 1sjr h ALA 92 Cb 1.32 0.65 -0.27 0.00 0.00 0.00 0.00 17.79 19.48 1sjr h ALA 92 CO 0.41 1.21 -0.82 0.16 0.00 0.00 0.00 179.25 180.20 1sjr s ASP 93 N -7.09 2.02 0.31 0.00 -4.77 -1.26 -4.88 116.67 101.01 1sjr s ASP 93 Ca -0.21 -0.39 0.02 0.00 -3.30 0.00 0.00 52.55 48.67 1sjr s ASP 93 Cb 0.06 -0.19 0.52 0.00 -1.09 0.00 0.00 42.92 42.22 1sjr s ASP 93 CO 0.78 0.16 1.87 1.55 0.70 0.00 0.00 175.17 180.22 1sjr h PRO 94 N 5.36 0.68 -0.90 2.11 0.13 -1.91 -2.49 132.00 134.97 1sjr h PRO 94 Ca -0.38 -0.13 0.03 0.00 -0.87 0.00 0.00 66.00 64.64 1sjr h PRO 94 Cb 1.16 -0.11 -0.05 0.00 0.13 0.00 0.00 31.00 32.13 1sjr h PRO 94 CO 0.46 0.63 0.59 -0.24 -0.23 0.00 0.00 178.00 179.22 1sjr h VAL 95 N 0.66 1.18 0.00 1.56 3.04 -1.99 0.14 116.25 120.83 1sjr h VAL 95 Ca 0.15 -0.40 -0.08 0.00 -1.01 0.00 0.00 66.70 65.37 1sjr h VAL 95 Cb 0.27 -0.08 -0.01 0.00 -2.01 0.00 0.00 31.29 29.46 1sjr h VAL 95 CO -0.00 0.21 -0.36 0.28 -1.01 0.00 0.00 177.57 176.69 1sjr h SER 96 N 1.16 0.00 0.75 3.17 0.02 -1.75 -3.08 113.55 113.82 1sjr h SER 96 Ca 0.35 0.00 -0.24 0.00 -0.84 0.00 0.00 61.79 61.06 1sjr h SER 96 Cb -0.03 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.50 1sjr h SER 96 CO -0.10 0.36 -1.11 0.00 -1.14 0.00 0.00 176.83 174.84 1sjr h ALA 97 N 1.64 0.24 0.50 3.77 0.00 -0.78 -2.52 119.26 122.11 1sjr h ALA 97 Ca -0.00 -0.87 -0.02 0.00 0.00 0.00 0.00 54.91 54.01 1sjr h ALA 97 Cb 1.14 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.87 1sjr h ALA 97 CO 0.05 1.06 -0.24 1.96 0.00 0.00 0.00 179.25 182.08 1sjr h GLN 98 N 0.05 -0.64 -0.13 0.00 1.08 -0.78 -2.88 115.11 111.81 1sjr h GLN 98 Ca -0.08 0.04 0.00 0.00 -1.45 0.00 0.00 58.65 57.17 1sjr h GLN 98 Cb 1.84 0.15 -0.01 0.00 -0.05 0.00 0.00 27.48 29.41 1sjr h GLN 98 CO 0.17 -0.34 0.09 0.45 -0.95 0.00 0.00 178.83 178.24 1sjr h HIS 99 N -1.03 0.17 -0.95 2.96 3.86 -1.68 -2.56 115.15 115.92 1sjr h HIS 99 Ca -0.07 0.00 0.27 0.00 -1.16 0.00 0.00 60.37 59.41 1sjr h HIS 99 Cb 0.60 -0.06 -0.14 0.00 1.06 0.00 0.00 27.41 28.87 1sjr h HIS 99 CO 0.01 0.12 0.43 0.00 0.86 0.00 0.00 177.93 179.35 1sjr h ALA 100 N 1.04 1.63 -0.74 2.45 0.00 -1.52 0.54 119.26 122.66 1sjr h ALA 100 Ca 0.05 0.19 -0.05 0.00 0.00 0.00 0.00 54.91 55.10 1sjr h ALA 100 Cb -0.01 0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 1sjr h ALA 100 CO -0.01 -0.47 0.28 -0.22 0.00 0.00 0.00 179.25 178.83 1sjr h LYS 101 N 0.33 1.11 0.00 0.00 3.64 -1.22 0.12 116.57 120.55 1sjr h LYS 101 Ca 0.64 -0.21 -0.09 0.00 -1.27 0.00 0.00 60.65 59.71 1sjr h LYS 101 Cb 1.35 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 32.98 1sjr h LYS 101 CO -0.60 0.92 -0.43 -0.07 -2.27 0.00 0.00 179.45 177.01 1sjr h LEU 102 N 1.07 0.00 0.00 5.20 3.38 0.03 1.45 115.31 126.44 1sjr h LEU 102 Ca 0.24 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.21 1sjr h LEU 102 Cb 0.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.99 1sjr h LEU 102 CO -0.02 0.43 -0.56 -1.28 0.09 0.00 0.00 178.44 177.11 1sjr h SER 103 N 0.00 0.00 -0.00 -0.43 0.87 -0.08 -3.33 113.55 110.58 1sjr h SER 103 Ca -0.00 -0.14 0.00 0.00 -1.23 0.00 0.00 61.79 60.42 1sjr h SER 103 Cb 1.00 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.96 1sjr h SER 103 CO 0.06 0.07 -0.03 0.18 -0.53 0.00 0.00 176.83 176.58 1sjr n LEU 104 N -2.29 0.43 -4.54 2.23 4.77 0.38 -4.87 117.00 113.12 1sjr n LEU 104 Ca 0.03 -0.69 -0.39 0.00 -0.03 0.00 0.00 56.01 54.94 1sjr n LEU 104 Cb 0.46 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.50 1sjr n LEU 104 CO 0.36 0.10 2.01 -0.90 -1.33 0.00 0.00 177.39 177.64 1sjr n ASP 105 N -0.62 2.19 -1.13 -1.43 5.68 0.50 -1.05 116.55 120.68 1sjr n ASP 105 Ca 0.00 -0.26 -0.07 0.00 -0.50 0.00 0.00 54.79 53.97 1sjr n ASP 105 Cb 0.02 -1.48 0.01 0.00 -1.14 0.00 0.00 41.12 38.53 1sjr n ASP 105 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1sjr n GLY 106 N 6.08 0.34 3.92 6.12 0.00 -1.17 -5.00 105.19 115.49 1sjr n GLY 106 Ca 0.40 -0.49 -0.28 0.00 0.00 0.00 0.00 46.02 45.65 1sjr n GLY 106 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1sjr s GLN 107 N -4.94 3.53 0.27 1.61 1.03 -0.21 -4.83 119.66 116.10 1sjr s GLN 107 Ca 0.10 -0.32 0.06 0.00 0.04 0.00 0.00 55.36 55.25 1sjr s GLN 107 Cb -0.05 -2.85 -0.03 0.00 0.03 0.00 0.00 33.01 30.11 1sjr s GLN 107 CO 0.13 0.42 0.30 -0.80 -2.54 0.00 0.00 175.29 172.79 1sjr s ASN 108 N -3.04 5.83 -0.14 12.60 0.01 -1.26 -0.69 114.94 128.23 1sjr s ASN 108 Ca 0.39 -0.16 -0.13 0.00 -0.71 0.00 0.00 52.86 52.25 1sjr s ASN 108 Cb -0.11 -1.49 -0.04 0.00 0.41 0.00 0.00 41.25 40.01 1sjr s ASN 108 CO 0.28 -0.13 -0.25 -0.38 -1.51 0.00 0.00 177.10 175.12 1sjr n ILE 109 N -1.34 1.27 0.00 0.60 5.41 -1.24 -4.82 119.36 119.25 1sjr n ILE 109 Ca -0.07 0.21 0.00 0.00 1.00 0.00 0.00 62.75 63.90 1sjr n ILE 109 Cb 0.58 -2.25 0.00 0.00 -0.71 0.00 0.00 39.64 37.26 1sjr n ILE 109 CO 0.00 0.00 0.00 -1.22 0.00 0.00 0.00 176.55 175.33 1sjr n TYR 110 N -4.24 0.00 0.00 1.39 4.02 -1.26 -4.99 117.16 112.08 1sjr n TYR 110 Ca -0.10 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.79 1sjr n TYR 110 Cb 0.37 -0.48 0.00 0.00 -0.02 0.00 0.00 39.34 39.20 1sjr n TYR 110 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 1sjr n ASN 111 N -1.94 0.00 -2.69 7.72 5.15 -1.26 -5.00 115.26 117.23 1sjr n ASN 111 Ca 0.00 0.00 -0.07 0.00 -0.60 0.00 0.00 54.58 53.91 1sjr n ASN 111 Cb 0.00 0.06 0.09 0.00 -0.53 0.00 0.00 39.78 39.40 1sjr n ASN 111 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1sjr n ALA 112 N -1.40 2.04 -3.57 5.20 0.00 -1.26 -4.91 120.51 116.61 1sjr n ALA 112 Ca 0.00 -1.87 -0.06 0.00 0.00 0.00 0.00 53.44 51.51 1sjr n ALA 112 Cb 0.00 -0.97 -0.02 0.00 0.00 0.00 0.00 19.45 18.46 1sjr n ALA 112 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1sjr n THR 115 N -3.01 1.01 -3.91 0.00 -1.04 -1.25 -4.32 114.28 101.76 1sjr n THR 115 Ca -0.02 -0.40 -0.30 0.00 -2.04 0.00 0.00 64.05 61.29 1sjr n THR 115 Cb 0.52 0.00 -0.14 0.00 -1.82 0.00 0.00 70.33 68.89 1sjr n THR 115 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 1sjr s LEU 116 N 2.96 3.96 0.06 -4.42 2.96 0.13 -2.63 118.68 121.70 1sjr s LEU 116 Ca 0.49 -2.38 -0.25 0.00 -0.22 0.00 0.00 54.13 51.77 1sjr s LEU 116 Cb -0.61 -1.43 -0.06 0.00 0.50 0.00 0.00 46.19 44.59 1sjr s LEU 116 CO 0.47 -0.33 0.77 -0.60 -1.32 0.00 0.00 176.35 175.34 1sjr s ARG 117 N 0.60 4.51 -0.05 1.98 6.06 -0.54 -3.05 118.95 128.47 1sjr s ARG 117 Ca 0.13 1.08 0.06 0.00 -2.50 0.00 0.00 55.73 54.50 1sjr s ARG 117 Cb -0.21 -3.35 -0.02 0.00 0.06 0.00 0.00 34.95 31.43 1sjr s ARG 117 CO -0.07 0.33 -0.22 0.42 -2.50 0.00 0.00 175.30 173.25 1sjr s ILE 118 N -0.23 2.34 0.35 4.11 1.09 -1.26 -0.52 121.20 127.07 1sjr s ILE 118 Ca 0.38 -0.98 -0.05 0.00 -1.10 0.00 0.00 60.65 58.90 1sjr s ILE 118 Cb -0.21 -1.86 0.02 0.00 -1.06 0.00 0.00 42.46 39.35 1sjr s ILE 118 CO 0.23 0.58 0.55 0.47 -0.10 0.00 0.00 174.94 176.67 1sjr n ASP 119 N 2.66 -1.56 -4.75 3.58 8.00 -0.98 -4.93 116.55 118.57 1sjr n ASP 119 Ca -0.17 -2.75 -0.35 0.00 0.71 0.00 0.00 54.79 52.23 1sjr n ASP 119 Cb 0.52 2.80 -0.08 0.00 -0.02 0.00 0.00 41.12 44.34 1sjr n ASP 119 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1sjr s PHE 120 N -2.85 3.43 0.97 1.24 0.08 -1.26 0.09 117.98 119.68 1sjr s PHE 120 Ca 0.25 0.34 -0.14 0.00 0.12 0.00 0.00 56.93 57.50 1sjr s PHE 120 Cb -0.02 -2.10 0.02 0.00 -0.57 0.00 0.00 43.02 40.35 1sjr s PHE 120 CO 0.18 0.37 0.23 0.45 -0.10 0.00 0.00 175.22 176.35 1sjr n SER 121 N 3.18 -2.53 -0.06 1.36 2.88 0.14 -4.78 113.62 113.80 1sjr n SER 121 Ca -0.17 0.27 -0.15 0.00 -1.33 0.00 0.00 58.87 57.50 1sjr n SER 121 Cb 0.53 -1.13 -0.14 0.00 -0.75 0.00 0.00 64.21 62.71 1sjr n SER 121 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1sjr n LYS 122 N -1.26 0.68 -0.21 -1.46 5.02 -1.26 -4.13 118.16 115.54 1sjr n LYS 122 Ca 0.05 0.18 0.03 0.00 -2.02 0.00 0.00 58.31 56.55 1sjr n LYS 122 Cb 0.55 -1.63 0.12 0.00 -0.02 0.00 0.00 35.03 34.05 1sjr n LYS 122 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1sjr n LEU 123 N -3.14 1.95 -1.26 -0.35 7.99 -1.26 -4.84 117.00 116.08 1sjr n LEU 123 Ca -0.32 -0.98 -0.15 0.00 -0.01 0.00 0.00 56.01 54.55 1sjr n LEU 123 Cb 1.06 -0.35 -0.06 0.00 -0.11 0.00 0.00 43.42 43.95 1sjr n LEU 123 CO 0.39 0.36 -0.14 0.35 -1.51 0.00 0.00 177.39 176.84 1sjr n THR 124 N 0.23 0.00 0.00 -5.08 -2.24 -1.26 -4.81 114.28 101.12 1sjr n THR 124 Ca 0.09 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.87 1sjr n THR 124 Cb 0.38 -1.56 0.00 0.00 -2.10 0.00 0.00 70.33 67.05 1sjr n THR 124 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1sjr n SER 125 N -0.93 0.00 -3.92 3.42 3.41 -1.26 -4.83 113.62 109.51 1sjr n SER 125 Ca -0.15 0.00 -0.30 0.00 -0.26 0.00 0.00 58.87 58.16 1sjr n SER 125 Cb 0.56 0.00 -0.16 0.00 -0.26 0.00 0.00 64.21 64.35 1sjr n SER 125 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1sjr s LEU 126 N 0.00 2.48 -0.80 1.04 1.43 -1.26 -4.82 118.68 116.74 1sjr s LEU 126 Ca 0.00 -1.17 -0.22 0.00 -1.03 0.00 0.00 54.13 51.71 1sjr s LEU 126 Cb 0.00 -1.13 -0.18 0.00 0.03 0.00 0.00 46.19 44.91 1sjr s LEU 126 CO 0.00 -0.25 2.39 -0.46 0.23 0.00 0.00 176.35 178.26 1sjr n ASN 127 N 4.70 0.95 -3.89 2.29 6.94 -1.26 -4.87 115.26 120.12 1sjr n ASN 127 Ca -0.11 -0.88 -0.22 0.00 -0.02 0.00 0.00 54.58 53.34 1sjr n ASN 127 Cb 0.44 -1.29 -0.17 0.00 -2.36 0.00 0.00 39.78 36.40 1sjr n ASN 127 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 1sjr s VAL 128 N 10.11 0.65 0.00 3.53 1.01 -1.26 -4.98 120.40 129.46 1sjr s VAL 128 Ca 1.08 -0.14 0.00 0.00 0.00 0.00 0.00 61.98 62.92 1sjr s VAL 128 Cb -0.44 -0.68 0.00 0.00 0.00 0.00 0.00 36.38 35.26 1sjr s VAL 128 CO 0.28 0.27 0.00 2.29 0.00 0.00 0.00 175.10 177.94 1sjr n LYS 129 N 4.34 0.00 -3.58 2.72 0.00 -1.26 -4.97 118.16 115.41 1sjr n LYS 129 Ca -0.20 0.00 -0.14 0.00 -0.00 0.00 0.00 58.31 57.97 1sjr n LYS 129 Cb 0.51 0.00 -0.06 0.00 -0.00 0.00 0.00 35.03 35.47 1sjr n LYS 129 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.40 178.11 1sjr s TYR 130 N 0.00 -0.61 -0.93 5.58 2.02 -1.26 -4.82 117.35 117.33 1sjr s TYR 130 Ca 0.00 1.23 -0.24 0.00 -0.37 0.00 0.00 57.07 57.70 1sjr s TYR 130 Cb 0.00 0.38 0.05 0.00 -0.40 0.00 0.00 41.96 41.99 1sjr s TYR 130 CO 0.00 -0.44 1.37 -0.80 -1.57 0.00 0.00 175.55 174.11 1sjr s ASN 131 N -0.57 6.42 -0.11 2.29 0.01 0.26 -4.23 114.94 119.01 1sjr s ASN 131 Ca -0.04 -1.23 -0.01 0.00 -0.71 0.00 0.00 52.86 50.87 1sjr s ASN 131 Cb -0.02 -2.55 0.03 0.00 0.41 0.00 0.00 41.25 39.11 1sjr s ASN 131 CO 0.04 -1.56 -0.07 0.20 -1.51 0.00 0.00 177.10 174.20 1sjr s ASN 132 N 4.55 2.10 0.31 -1.22 0.02 -1.24 -3.98 114.94 115.47 1sjr s ASN 132 Ca 0.42 -0.27 0.26 0.00 -1.02 0.00 0.00 52.86 52.25 1sjr s ASN 132 Cb -0.03 -0.79 0.99 0.00 0.02 0.00 0.00 41.25 41.45 1sjr s ASN 132 CO -0.03 -0.13 0.94 -0.90 0.02 0.00 0.00 177.10 177.00 1sjr n ASP 133 N 4.97 0.05 0.04 -1.22 5.75 -1.26 0.28 116.55 125.15 1sjr n ASP 133 Ca -0.12 0.69 -0.19 0.00 -0.01 0.00 0.00 54.79 55.16 1sjr n ASP 133 Cb 0.50 -0.34 -0.14 0.00 -1.03 0.00 0.00 41.12 40.11 1sjr n ASP 133 CO 0.00 0.00 0.00 0.11 -0.11 0.00 0.00 177.20 177.20 1sjr h LYS 134 N 0.00 0.31 -6.26 0.11 1.57 -1.94 -3.48 116.57 106.88 1sjr h LYS 134 Ca 0.55 -0.48 -0.53 0.00 -1.87 0.00 0.00 60.65 58.33 1sjr h LYS 134 Cb 2.07 0.17 -0.01 0.00 0.08 0.00 0.00 32.23 34.54 1sjr h LYS 134 CO -0.11 1.21 -0.23 -1.12 -0.57 0.00 0.00 179.45 178.63 1sjr s SER 135 N -6.90 4.91 -0.20 0.86 0.01 0.80 -0.56 113.70 112.62 1sjr s SER 135 Ca -0.14 -0.99 -0.27 0.00 1.31 0.00 0.00 55.95 55.86 1sjr s SER 135 Cb 0.01 0.20 0.08 0.00 0.21 0.00 0.00 66.02 66.53 1sjr s SER 135 CO 0.82 -1.12 0.79 -0.60 0.41 0.00 0.00 173.24 173.54 1sjr s ARG 136 N -4.41 0.82 -0.19 12.44 6.06 0.25 -3.62 118.95 130.29 1sjr s ARG 136 Ca 0.47 0.63 -0.01 0.00 -2.50 0.00 0.00 55.73 54.33 1sjr s ARG 136 Cb -0.04 0.39 0.05 0.00 0.06 0.00 0.00 34.95 35.42 1sjr s ARG 136 CO 0.29 -0.17 -0.02 0.16 -2.50 0.00 0.00 175.30 173.07 1sjr s ASP 137 N -0.24 3.08 -0.12 -2.12 1.47 -1.26 -0.30 116.67 117.17 1sjr s ASP 137 Ca -0.03 -0.84 0.08 0.00 1.18 0.00 0.00 52.55 52.94 1sjr s ASP 137 Cb -0.03 -0.84 0.43 0.00 -0.34 0.00 0.00 42.92 42.14 1sjr s ASP 137 CO 0.02 -0.25 1.17 -1.22 0.68 0.00 0.00 175.17 175.57 1sjr n TYR 138 N 4.90 1.08 0.70 2.11 4.01 0.26 -3.78 117.16 126.43 1sjr n TYR 138 Ca -0.11 -0.38 0.11 0.00 -0.16 0.00 0.00 57.90 57.37 1sjr n TYR 138 Cb 0.47 -0.30 0.01 0.00 -0.31 0.00 0.00 39.34 39.20 1sjr n TYR 138 CO 0.00 0.00 0.00 -2.37 -0.46 0.00 0.00 176.86 174.03 1sjr n THR 139 N 0.35 0.10 0.00 -0.72 5.66 -1.21 -4.92 114.28 113.53 1sjr n THR 139 Ca 0.15 -0.17 0.00 0.00 -3.05 0.00 0.00 64.05 60.98 1sjr n THR 139 Cb 0.73 0.38 0.00 0.00 -1.55 0.00 0.00 70.33 69.89 1sjr n THR 139 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 1sjr n ARG 140 N -1.81 0.00 0.00 1.09 5.12 -1.25 -5.02 116.66 114.80 1sjr n ARG 140 Ca 0.03 0.00 0.11 0.00 -1.93 0.00 0.00 57.85 56.05 1sjr n ARG 140 Cb 0.41 0.00 0.52 0.00 -1.16 0.00 0.00 32.46 32.22 1sjr n ARG 140 CO 0.00 0.00 0.00 -0.35 -1.93 0.00 0.00 177.63 175.35 1sjr n PRO 141 N 0.00 0.17 -0.05 5.56 -0.04 -1.26 -2.95 135.00 136.43 1sjr n PRO 141 Ca 0.00 0.10 0.02 0.00 -0.04 0.00 0.00 63.50 63.58 1sjr n PRO 141 Cb 0.00 -1.50 0.08 0.00 -0.04 0.00 0.00 33.50 32.04 1sjr n PRO 141 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1sjr n ASP 142 N -1.39 0.56 -4.79 3.54 2.03 -1.26 -4.84 116.55 110.40 1sjr n ASP 142 Ca 0.08 -1.96 -0.39 0.00 0.52 0.00 0.00 54.79 53.04 1sjr n ASP 142 Cb 0.21 -0.07 -0.06 0.00 -0.72 0.00 0.00 41.12 40.49 1sjr n ASP 142 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1sjr s LEU 143 N -1.04 4.53 1.15 -2.67 1.02 -1.15 -5.07 118.68 115.43 1sjr s LEU 143 Ca 0.09 1.39 -0.18 0.00 0.02 0.00 0.00 54.13 55.45 1sjr s LEU 143 Cb 0.04 -3.06 0.27 0.00 0.02 0.00 0.00 46.19 43.46 1sjr s LEU 143 CO 0.06 0.20 1.15 -2.16 0.02 0.00 0.00 176.35 175.63 1sjr s PRO 144 N -0.88 -0.79 -0.19 1.29 0.04 -1.26 -4.17 135.00 129.04 1sjr s PRO 144 Ca 0.32 -0.12 0.05 0.00 0.04 0.00 0.00 61.00 61.29 1sjr s PRO 144 Cb -0.21 -1.65 0.40 0.00 0.04 0.00 0.00 34.50 33.08 1sjr s PRO 144 CO 0.21 -3.41 1.34 0.43 0.04 0.00 0.00 177.00 175.61 1sjr n SER 145 N -4.53 3.48 -1.75 6.66 7.64 -1.26 0.90 113.62 124.76 1sjr n SER 145 Ca 0.13 -2.69 -0.01 0.00 1.01 0.00 0.00 58.87 57.31 1sjr n SER 145 Cb 0.59 -0.64 0.00 0.00 -1.01 0.00 0.00 64.21 63.15 1sjr n SER 145 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1sjr n GLY 146 N -0.04 -0.78 0.00 0.23 0.00 -1.26 -4.64 105.19 98.70 1sjr n GLY 146 Ca 0.24 0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.39 1sjr n GLY 146 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41