#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 0.32 -1.00 3.04 0.00 -1.26 -5.17 120.51 116.44 1sjr n ALA 41 Ca 0.00 -1.11 0.00 0.00 0.00 0.00 0.00 53.44 52.33 1sjr n ALA 41 Cb 0.00 0.90 0.00 0.00 0.00 0.00 0.00 19.45 20.35 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 -0.37 0.44 2.82 0.00 0.00 -1.26 -5.06 105.19 101.77 1sjr n GLY 42 Ca 0.04 -0.32 -0.25 0.00 0.00 0.00 0.00 46.02 45.49 1sjr n GLY 42 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1sjr s GLN 43 N 0.00 0.98 -0.10 1.61 0.74 -1.26 -5.13 119.66 116.51 1sjr s GLN 43 Ca 0.00 -0.06 0.03 0.00 0.05 0.00 0.00 55.36 55.38 1sjr s GLN 43 Cb 0.00 -1.26 0.01 0.00 1.10 0.00 0.00 33.01 32.86 1sjr s GLN 43 CO 0.00 -0.30 -0.17 -1.12 -0.55 0.00 0.00 175.29 173.15 1sjr s SER 44 N 1.86 2.47 -1.08 6.67 0.01 -1.26 -4.94 113.70 117.43 1sjr s SER 44 Ca 0.05 -0.44 -0.22 0.00 1.31 0.00 0.00 55.95 56.65 1sjr s SER 44 Cb -0.13 -1.12 0.04 0.00 0.21 0.00 0.00 66.02 65.02 1sjr s SER 44 CO -0.07 0.06 1.61 -2.16 0.41 0.00 0.00 173.24 173.09 1sjr s PRO 45 N 0.72 3.50 -0.22 12.44 0.04 -1.26 -4.90 135.00 145.32 1sjr s PRO 45 Ca -0.12 -1.23 -0.04 0.00 0.04 0.00 0.00 61.00 59.65 1sjr s PRO 45 Cb -0.16 -5.36 0.08 0.00 0.04 0.00 0.00 34.50 29.10 1sjr s PRO 45 CO 0.03 -2.46 0.14 0.08 0.04 0.00 0.00 177.00 174.82 1sjr s VAL 46 N 5.75 -0.14 -0.23 -0.36 1.01 -1.26 0.14 120.40 125.31 1sjr s VAL 46 Ca 0.52 -0.38 -0.10 0.00 0.00 0.00 0.00 61.98 62.02 1sjr s VAL 46 Cb 0.00 -0.75 -0.05 0.00 0.00 0.00 0.00 36.38 35.58 1sjr s VAL 46 CO -0.03 -0.43 0.14 -0.76 0.00 0.00 0.00 175.10 174.01 1sjr s LEU 47 N 2.17 4.06 -0.36 3.92 1.43 -0.43 -1.39 118.68 128.08 1sjr s LEU 47 Ca 0.06 0.10 -0.11 0.00 -1.03 0.00 0.00 54.13 53.15 1sjr s LEU 47 Cb -0.16 -2.08 0.02 0.00 0.03 0.00 0.00 46.19 44.00 1sjr s LEU 47 CO -0.20 0.09 0.20 -0.60 0.23 0.00 0.00 176.35 176.06 1sjr s ARG 48 N 0.93 3.01 0.17 1.70 3.52 0.11 -0.55 118.95 127.84 1sjr s ARG 48 Ca 0.07 -0.95 -0.18 0.00 -0.13 0.00 0.00 55.73 54.53 1sjr s ARG 48 Cb -0.13 -3.71 -0.08 0.00 -1.56 0.00 0.00 34.95 29.48 1sjr s ARG 48 CO 0.03 -0.61 0.65 0.42 -0.81 0.00 0.00 175.30 174.98 1sjr s ILE 49 N 1.59 4.67 -0.16 4.11 1.01 0.27 -2.46 121.20 130.24 1sjr s ILE 49 Ca 0.03 1.15 -0.05 0.00 0.00 0.00 0.00 60.65 61.79 1sjr s ILE 49 Cb -0.18 -3.84 0.06 0.00 0.01 0.00 0.00 42.46 38.50 1sjr s ILE 49 CO 0.07 0.29 0.10 -0.63 0.00 0.00 0.00 174.94 174.77 1sjr s ILE 50 N -1.42 -0.11 0.45 2.92 1.09 -0.65 0.33 121.20 123.82 1sjr s ILE 50 Ca 0.39 -0.11 -0.21 0.00 -1.10 0.00 0.00 60.65 59.62 1sjr s ILE 50 Cb -0.17 -0.54 -0.10 0.00 -1.06 0.00 0.00 42.46 40.59 1sjr s ILE 50 CO 0.20 -0.24 0.97 -0.69 -0.10 0.00 0.00 174.94 175.09 1sjr s VAL 51 N 2.15 4.24 0.00 2.92 1.01 -0.56 -0.95 120.40 129.21 1sjr s VAL 51 Ca 0.03 1.38 0.00 0.00 0.00 0.00 0.00 61.98 63.39 1sjr s VAL 51 Cb -0.16 -3.56 0.00 0.00 0.00 0.00 0.00 36.38 32.66 1sjr s VAL 51 CO -0.09 -0.31 0.00 -0.62 0.00 0.00 0.00 175.10 174.08 1sjr n GLU 52 N -0.76 1.12 -2.69 2.72 1.02 -0.22 -4.50 120.64 117.33 1sjr n GLU 52 Ca 0.08 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.22 1sjr n GLU 52 Cb 0.54 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.96 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 -0.56 -5.49 -4.54 1.62 4.13 -1.26 -4.28 115.26 104.87 1sjr n ASN 53 Ca 0.00 0.38 -0.40 0.00 1.68 0.00 0.00 54.58 56.24 1sjr n ASN 53 Cb 0.00 -1.29 -0.05 0.00 -1.54 0.00 0.00 39.78 36.91 1sjr n ASN 53 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 1sjr n LEU 54 N 1.28 2.33 0.00 3.41 4.77 -1.26 -4.26 117.00 123.27 1sjr n LEU 54 Ca 0.00 -0.16 0.00 0.00 -0.03 0.00 0.00 56.01 55.82 1sjr n LEU 54 Cb 0.36 -1.48 0.00 0.00 -2.33 0.00 0.00 43.42 39.98 1sjr n LEU 54 CO 0.00 -1.18 0.00 0.33 -1.33 0.00 0.00 177.39 175.21 1sjr n PHE 55 N 13.66 0.00 -4.26 -1.77 7.35 -1.26 -5.08 117.46 126.09 1sjr n PHE 55 Ca 0.39 0.00 -0.29 0.00 -0.76 0.00 0.00 57.45 56.79 1sjr n PHE 55 Cb 0.43 0.29 -0.10 0.00 0.35 0.00 0.00 39.48 40.46 1sjr n PHE 55 CO 0.00 0.00 0.00 0.71 -0.76 0.00 0.00 176.76 176.71 1sjr s TYR 56 N -0.61 2.66 0.86 -5.13 1.51 -1.26 -5.13 117.35 110.25 1sjr s TYR 56 Ca 0.00 -0.20 -0.12 0.00 -1.01 0.00 0.00 57.07 55.74 1sjr s TYR 56 Cb 0.00 -1.38 0.11 0.00 -0.11 0.00 0.00 41.96 40.58 1sjr s TYR 56 CO 0.00 0.43 1.15 -1.25 -1.11 0.00 0.00 175.55 174.77 1sjr s PRO 57 N -2.31 1.54 0.36 -1.71 0.04 -1.26 -4.99 135.00 126.68 1sjr s PRO 57 Ca 0.21 0.25 -0.03 0.00 0.04 0.00 0.00 61.00 61.46 1sjr s PRO 57 Cb -0.11 -1.89 0.01 0.00 0.04 0.00 0.00 34.50 32.56 1sjr s PRO 57 CO 0.13 -1.91 0.53 0.14 0.04 0.00 0.00 177.00 175.92 1sjr s VAL 58 N -3.39 0.00 0.00 -0.36 -7.23 -1.26 -5.13 120.40 103.03 1sjr s VAL 58 Ca 0.63 -1.52 0.00 0.00 -1.81 0.00 0.00 61.98 59.28 1sjr s VAL 58 Cb -0.13 -2.71 0.00 0.00 0.56 0.00 0.00 36.38 34.09 1sjr s VAL 58 CO 0.52 0.00 0.00 0.35 -0.31 0.00 0.00 175.10 175.66 1sjr n THR 59 N -0.58 0.00 0.06 5.32 -2.24 -1.26 -5.06 114.28 110.52 1sjr n THR 59 Ca -0.00 0.00 -0.23 0.00 -2.27 0.00 0.00 64.05 61.55 1sjr n THR 59 Cb 0.61 0.00 -0.15 0.00 -2.10 0.00 0.00 70.33 68.69 1sjr n THR 59 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 1sjr h LEU 60 N 0.00 0.58 -2.01 3.22 4.07 -1.94 -3.06 115.31 116.16 1sjr h LEU 60 Ca 0.00 -0.92 0.15 0.00 0.08 0.00 0.00 57.88 57.19 1sjr h LEU 60 Cb 0.00 -0.19 -0.02 0.00 1.08 0.00 0.00 40.66 41.53 1sjr h LEU 60 CO 0.00 1.74 0.42 0.44 -1.08 0.00 0.00 178.44 179.96 1sjr h ASP 61 N 0.00 0.00 0.08 -0.43 3.32 -1.98 0.38 116.42 117.79 1sjr h ASP 61 Ca -0.32 0.00 -0.25 0.00 0.02 0.00 0.00 57.03 56.48 1sjr h ASP 61 Cb 2.02 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 41.56 1sjr h ASP 61 CO 0.16 0.00 -1.29 1.62 -1.72 0.00 0.00 179.24 178.01 1sjr h VAL 62 N 0.00 1.05 -0.17 -1.35 3.04 -1.98 -2.96 116.25 113.88 1sjr h VAL 62 Ca 0.25 -2.34 -0.06 0.00 -1.01 0.00 0.00 66.70 63.54 1sjr h VAL 62 Cb 1.08 2.65 -0.01 0.00 -2.01 0.00 0.00 31.29 33.00 1sjr h VAL 62 CO -0.00 0.62 -0.17 0.17 -1.01 0.00 0.00 177.57 177.17 1sjr h LEU 63 N -0.50 0.27 0.15 3.16 8.10 -1.25 -2.41 115.31 122.84 1sjr h LEU 63 Ca -0.29 -0.07 -0.01 0.00 0.11 0.00 0.00 57.88 57.62 1sjr h LEU 63 Cb 1.61 -0.07 0.00 0.00 -0.44 0.00 0.00 40.66 41.76 1sjr h LEU 63 CO -0.01 0.47 -0.07 -0.74 -4.11 0.00 0.00 178.44 173.98 1sjr h HIS 64 N 0.26 -0.19 0.00 0.17 2.76 -0.43 -2.93 115.15 114.79 1sjr h HIS 64 Ca 0.05 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.21 1sjr h HIS 64 Cb 0.47 0.06 0.00 0.00 1.55 0.00 0.00 27.41 29.49 1sjr h HIS 64 CO 0.01 0.13 0.19 1.96 -1.30 0.00 0.00 177.93 178.91 1sjr h GLN 65 N -0.99 0.00 0.00 5.26 1.08 -1.53 0.59 115.11 119.52 1sjr h GLN 65 Ca -0.02 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.18 1sjr h GLN 65 Cb 0.40 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.83 1sjr h GLN 65 CO 0.03 0.00 -0.03 0.82 -0.95 0.00 0.00 178.83 178.70 1sjr h ILE 66 N 0.00 0.00 0.00 2.54 2.04 -1.45 -3.38 117.51 117.26 1sjr h ILE 66 Ca 0.00 -0.34 -0.01 0.00 1.00 0.00 0.00 64.86 65.51 1sjr h ILE 66 Cb 0.38 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 36.46 1sjr h ILE 66 CO 0.00 0.00 -0.03 -0.26 0.00 0.00 0.00 178.15 177.86 1sjr h PHE 67 N -0.34 0.00 0.00 1.37 0.04 -1.31 -2.74 116.94 113.96 1sjr h PHE 67 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1sjr h PHE 67 Cb 0.03 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.18 1sjr h PHE 67 CO -0.01 0.03 0.00 0.45 -0.60 0.00 0.00 178.31 178.17 1sjr n SER 68 N -3.13 0.25 -0.01 2.17 2.88 0.21 -1.81 113.62 114.17 1sjr n SER 68 Ca 0.01 0.60 -0.22 0.00 -1.33 0.00 0.00 58.87 57.93 1sjr n SER 68 Cb 0.33 -0.64 -0.14 0.00 -0.75 0.00 0.00 64.21 63.01 1sjr n SER 68 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 1sjr h LYS 69 N 0.00 0.22 0.00 -1.46 3.64 -1.66 -3.32 116.57 113.99 1sjr h LYS 69 Ca 0.00 -0.38 0.00 0.00 -1.27 0.00 0.00 60.65 59.00 1sjr h LYS 69 Cb 0.07 0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.03 1sjr h LYS 69 CO 0.00 1.18 0.00 1.19 -2.27 0.00 0.00 179.45 179.55 1sjr n PHE 70 N -3.83 0.00 0.00 1.91 3.01 -0.75 -4.90 117.46 112.89 1sjr n PHE 70 Ca -0.29 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.17 1sjr n PHE 70 Cb 0.93 -0.42 0.00 0.00 -0.01 0.00 0.00 39.48 39.98 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 0.40 2.05 3.71 1.37 0.00 -0.86 -4.74 105.19 107.12 1sjr n GLY 71 Ca 0.06 -0.98 -0.42 0.00 0.00 0.00 0.00 46.02 44.69 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 3.32 -0.52 2.61 2.01 -1.26 -3.83 115.64 115.97 1sjr s THR 72 Ca 0.00 0.89 -0.19 0.00 0.31 0.00 0.00 61.69 62.70 1sjr s THR 72 Cb 0.00 -3.57 0.06 0.00 0.01 0.00 0.00 72.50 69.00 1sjr s THR 72 CO 0.00 0.05 0.64 -0.69 -0.69 0.00 0.00 174.62 173.93 1sjr s VAL 73 N 1.56 4.85 0.06 3.82 1.01 -1.26 -2.82 120.40 127.63 1sjr s VAL 73 Ca 0.66 -0.54 -0.25 0.00 0.00 0.00 0.00 61.98 61.85 1sjr s VAL 73 Cb -0.36 -4.33 -0.17 0.00 0.00 0.00 0.00 36.38 31.52 1sjr s VAL 73 CO 0.30 -0.86 1.59 -0.07 0.00 0.00 0.00 175.10 176.06 1sjr h LEU 74 N 9.77 -0.16 -8.48 3.92 3.38 -1.60 -3.40 115.31 118.75 1sjr h LEU 74 Ca -0.28 -0.09 -0.20 0.00 0.09 0.00 0.00 57.88 57.40 1sjr h LEU 74 Cb 1.09 0.04 -0.15 0.00 0.09 0.00 0.00 40.66 41.74 1sjr h LEU 74 CO 0.99 -0.01 -0.62 -0.54 0.09 0.00 0.00 178.44 178.34 1sjr s LYS 75 N -5.70 1.04 -0.03 1.13 3.01 -1.15 0.79 119.74 118.82 1sjr s LYS 75 Ca -0.14 -1.50 -0.14 0.00 -1.01 0.00 0.00 55.97 53.18 1sjr s LYS 75 Cb 0.04 0.26 0.02 0.00 -1.01 0.00 0.00 37.83 37.15 1sjr s LYS 75 CO 0.64 -0.32 0.30 0.42 0.51 0.00 0.00 175.35 176.91 1sjr s ILE 76 N -4.09 0.05 -0.05 2.17 1.01 0.41 -2.28 121.20 118.42 1sjr s ILE 76 Ca 0.29 -0.40 -0.14 0.00 0.00 0.00 0.00 60.65 60.41 1sjr s ILE 76 Cb 0.07 -0.58 0.03 0.00 0.01 0.00 0.00 42.46 41.99 1sjr s ILE 76 CO 0.06 -0.22 0.32 -0.63 0.00 0.00 0.00 174.94 174.46 1sjr s ILE 77 N -1.05 0.04 0.01 2.92 1.01 0.87 0.43 121.20 125.43 1sjr s ILE 77 Ca -0.11 -0.32 -0.01 0.00 0.00 0.00 0.00 60.65 60.20 1sjr s ILE 77 Cb -0.05 -0.56 -0.01 0.00 0.01 0.00 0.00 42.46 41.84 1sjr s ILE 77 CO 0.03 -0.18 0.01 0.42 0.00 0.00 0.00 174.94 175.23 1sjr s THR 78 N -0.83 0.09 0.07 2.92 -4.23 -0.31 0.29 115.64 113.64 1sjr s THR 78 Ca -0.09 -0.72 -0.07 0.00 -1.18 0.00 0.00 61.69 59.63 1sjr s THR 78 Cb -0.04 -0.26 0.03 0.00 1.34 0.00 0.00 72.50 73.57 1sjr s THR 78 CO 0.03 -0.39 0.36 2.22 -0.54 0.00 0.00 174.62 176.30 1sjr n PHE 79 N 1.82 -0.91 -3.75 3.99 -1.74 0.61 -4.55 117.46 112.94 1sjr n PHE 79 Ca -0.22 -0.47 -0.28 0.00 -0.56 0.00 0.00 57.45 55.92 1sjr n PHE 79 Cb 0.56 0.23 -0.16 0.00 1.52 0.00 0.00 39.48 41.63 1sjr n PHE 79 CO 0.00 0.00 0.00 0.99 -0.56 0.00 0.00 176.76 177.19 1sjr s THR 80 N -2.42 0.60 -0.57 1.97 2.01 -1.25 -0.36 115.64 115.62 1sjr s THR 80 Ca 0.08 -0.65 -0.22 0.00 0.31 0.00 0.00 61.69 61.21 1sjr s THR 80 Cb -0.01 -1.12 0.06 0.00 0.01 0.00 0.00 72.50 71.44 1sjr s THR 80 CO 0.02 -0.23 0.87 -0.75 -0.69 0.00 0.00 174.62 173.84 1sjr s LYS 81 N 1.82 3.21 -1.42 4.92 2.20 -0.41 -4.17 119.74 125.89 1sjr s LYS 81 Ca -0.01 -0.60 -0.09 0.00 -0.36 0.00 0.00 55.97 54.91 1sjr s LYS 81 Cb -0.17 -4.12 0.06 0.00 -1.51 0.00 0.00 37.83 32.08 1sjr s LYS 81 CO -0.09 -1.53 0.65 -1.71 -0.36 0.00 0.00 175.35 172.32 1sjr n ASN 82 N 7.21 -4.67 -0.49 1.43 5.15 -1.26 -2.06 115.26 120.57 1sjr n ASN 82 Ca -0.02 -0.46 0.00 0.00 -0.60 0.00 0.00 54.58 53.50 1sjr n ASN 82 Cb 0.46 -3.79 0.00 0.00 -0.53 0.00 0.00 39.78 35.92 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 -2.49 -1.40 -3.64 1.20 4.05 -1.26 -5.08 115.26 106.64 1sjr n ASN 83 Ca -0.03 0.00 -0.28 0.00 0.45 0.00 0.00 54.58 54.73 1sjr n ASN 83 Cb 0.56 -0.35 -0.16 0.00 1.23 0.00 0.00 39.78 41.06 1sjr n ASN 83 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 177.26 173.11 1sjr s GLN 84 N -3.09 0.32 -0.23 1.20 -1.52 -0.88 -5.10 119.66 110.36 1sjr s GLN 84 Ca 0.00 -0.38 -0.28 0.00 -1.95 0.00 0.00 55.36 52.74 1sjr s GLN 84 Cb 0.00 -1.75 -0.04 0.00 -0.22 0.00 0.00 33.01 30.99 1sjr s GLN 84 CO 0.00 -0.78 2.07 0.12 -0.25 0.00 0.00 175.29 176.45 1sjr s PHE 85 N 2.00 1.37 -0.04 0.91 5.36 -1.26 -1.29 117.98 125.04 1sjr s PHE 85 Ca 0.04 0.49 0.05 0.00 -0.96 0.00 0.00 56.93 56.54 1sjr s PHE 85 Cb -0.16 -4.00 -0.01 0.00 -0.34 0.00 0.00 43.02 38.51 1sjr s PHE 85 CO -0.17 -3.87 -0.19 -0.65 -1.46 0.00 0.00 175.22 168.88 1sjr s GLN 86 N 5.97 1.81 -0.15 10.12 -0.21 0.51 -1.50 119.66 136.21 1sjr s GLN 86 Ca 0.93 -0.66 -0.03 0.00 0.02 0.00 0.00 55.36 55.63 1sjr s GLN 86 Cb -0.31 -1.61 0.05 0.00 1.00 0.00 0.00 33.01 32.14 1sjr s GLN 86 CO 0.35 0.30 0.03 0.00 -2.12 0.00 0.00 175.29 173.85 1sjr s ALA 87 N -0.10 0.87 0.32 6.09 0.00 0.15 -0.28 121.76 128.81 1sjr s ALA 87 Ca -0.01 -0.50 0.07 0.00 0.00 0.00 0.00 51.96 51.52 1sjr s ALA 87 Cb -0.11 -1.04 -0.02 0.00 0.00 0.00 0.00 23.12 21.95 1sjr s ALA 87 CO 0.02 -0.95 0.33 -0.51 0.00 0.00 0.00 175.76 174.65 1sjr s LEU 88 N 1.91 3.79 -0.28 0.00 1.43 0.15 0.96 118.68 126.64 1sjr s LEU 88 Ca 0.01 -0.33 -0.15 0.00 -1.03 0.00 0.00 54.13 52.62 1sjr s LEU 88 Cb -0.15 -2.43 0.09 0.00 0.03 0.00 0.00 46.19 43.73 1sjr s LEU 88 CO -0.07 -0.31 0.72 -1.48 0.23 0.00 0.00 176.35 175.44 1sjr s LEU 89 N -4.02 -0.92 -0.31 1.79 0.05 0.29 -0.09 118.68 115.46 1sjr s LEU 89 Ca 0.40 1.45 -0.23 0.00 0.05 0.00 0.00 54.13 55.80 1sjr s LEU 89 Cb -0.07 2.31 -0.00 0.00 -2.05 0.00 0.00 46.19 46.38 1sjr s LEU 89 CO 0.28 -0.23 0.77 -1.58 -0.55 0.00 0.00 176.35 175.04 1sjr s GLN 90 N 1.75 3.95 0.93 1.48 0.74 -0.97 -1.31 119.66 126.23 1sjr s GLN 90 Ca -0.09 0.55 -0.13 0.00 0.05 0.00 0.00 55.36 55.73 1sjr s GLN 90 Cb -0.06 -3.73 0.15 0.00 1.10 0.00 0.00 33.01 30.47 1sjr s GLN 90 CO -0.19 -0.67 1.14 0.71 -0.55 0.00 0.00 175.29 175.73 1sjr s TYR 91 N 2.92 2.38 -0.21 1.67 2.02 0.37 -1.70 117.35 124.80 1sjr s TYR 91 Ca 0.31 0.82 0.22 0.00 -0.37 0.00 0.00 57.07 58.05 1sjr s TYR 91 Cb -0.14 -3.42 -0.04 0.00 -0.40 0.00 0.00 41.96 37.96 1sjr s TYR 91 CO 0.13 -2.45 0.98 0.00 -1.57 0.00 0.00 175.55 172.63 1sjr n ALA 92 N -3.82 2.48 -3.68 3.71 0.00 -1.13 -4.66 120.51 113.41 1sjr n ALA 92 Ca 0.07 -0.28 -0.12 0.00 0.00 0.00 0.00 53.44 53.11 1sjr n ALA 92 Cb 0.59 -1.07 -0.13 0.00 0.00 0.00 0.00 19.45 18.85 1sjr n ALA 92 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1sjr s ASP 93 N -5.35 -0.31 0.50 0.00 1.01 -1.26 -5.00 116.67 106.26 1sjr s ASP 93 Ca -0.01 0.59 0.23 0.00 0.71 0.00 0.00 52.55 54.07 1sjr s ASP 93 Cb 0.10 0.48 1.31 0.00 1.01 0.00 0.00 42.92 45.82 1sjr s ASP 93 CO 0.80 -0.17 1.96 -0.65 0.21 0.00 0.00 175.17 177.33 1sjr h PRO 94 N 7.09 0.11 -0.78 8.23 0.11 -1.90 -1.17 132.00 143.68 1sjr h PRO 94 Ca -0.39 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.72 1sjr h PRO 94 Cb 1.16 -0.03 -0.04 0.00 0.11 0.00 0.00 31.00 32.21 1sjr h PRO 94 CO 0.36 0.07 0.50 0.28 -0.21 0.00 0.00 178.00 179.01 1sjr h VAL 95 N 0.12 1.21 0.00 3.15 2.07 -1.99 0.25 116.25 121.05 1sjr h VAL 95 Ca 0.30 -0.41 0.00 0.00 0.82 0.00 0.00 66.70 67.42 1sjr h VAL 95 Cb 1.04 0.08 0.00 0.00 -1.52 0.00 0.00 31.29 30.89 1sjr h VAL 95 CO -0.04 0.21 0.00 0.28 0.02 0.00 0.00 177.57 178.04 1sjr h SER 96 N 1.06 0.00 0.46 0.57 0.02 -1.51 -3.10 113.55 111.05 1sjr h SER 96 Ca 0.28 0.00 -0.30 0.00 -0.84 0.00 0.00 61.79 60.93 1sjr h SER 96 Cb -0.09 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.42 1sjr h SER 96 CO -0.06 0.00 -1.63 0.00 -1.14 0.00 0.00 176.83 174.00 1sjr h ALA 97 N 2.10 0.49 0.50 3.77 0.00 -0.98 -2.81 119.26 122.32 1sjr h ALA 97 Ca 0.00 -1.27 -0.02 0.00 0.00 0.00 0.00 54.91 53.62 1sjr h ALA 97 Cb 0.73 0.39 0.00 0.00 0.00 0.00 0.00 17.79 18.92 1sjr h ALA 97 CO 0.00 1.34 -0.24 1.96 0.00 0.00 0.00 179.25 182.31 1sjr h GLN 98 N 0.04 -0.64 -0.29 0.00 1.08 -0.52 -2.90 115.11 111.88 1sjr h GLN 98 Ca -0.27 0.04 -0.06 0.00 -1.45 0.00 0.00 58.65 56.91 1sjr h GLN 98 Cb 2.00 0.15 -0.01 0.00 -0.05 0.00 0.00 27.48 29.56 1sjr h GLN 98 CO 0.12 -0.34 -0.07 0.45 -0.95 0.00 0.00 178.83 178.04 1sjr h HIS 99 N -0.91 0.63 -0.96 2.96 3.86 -1.72 -3.05 115.15 115.96 1sjr h HIS 99 Ca -0.07 -0.13 0.28 0.00 -1.16 0.00 0.00 60.37 59.29 1sjr h HIS 99 Cb 0.60 -0.15 -0.14 0.00 1.06 0.00 0.00 27.41 28.77 1sjr h HIS 99 CO 0.00 0.75 0.44 0.00 0.86 0.00 0.00 177.93 179.99 1sjr h ALA 100 N 0.79 1.68 0.15 2.45 0.00 -1.55 0.64 119.26 123.42 1sjr h ALA 100 Ca 0.07 0.20 -0.01 0.00 0.00 0.00 0.00 54.91 55.17 1sjr h ALA 100 Cb 0.55 0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.54 1sjr h ALA 100 CO 0.03 -0.50 -0.07 -0.22 0.00 0.00 0.00 179.25 178.48 1sjr h LYS 101 N 0.31 -0.19 0.00 0.00 3.11 -1.40 -1.59 116.57 116.80 1sjr h LYS 101 Ca 0.66 0.01 -0.02 0.00 -2.81 0.00 0.00 60.65 58.49 1sjr h LYS 101 Cb 1.42 0.04 -0.00 0.00 -1.00 0.00 0.00 32.23 32.69 1sjr h LYS 101 CO -0.61 0.14 -0.10 -0.07 -2.81 0.00 0.00 179.45 175.99 1sjr h LEU 102 N -0.54 0.00 0.00 5.20 3.38 -0.95 1.38 115.31 123.78 1sjr h LEU 102 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1sjr h LEU 102 Cb 0.42 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.17 1sjr h LEU 102 CO 0.03 0.10 -0.32 -1.20 0.09 0.00 0.00 178.44 177.15 1sjr n SER 103 N -3.69 0.63 -0.39 -0.43 7.64 0.21 -3.87 113.62 113.71 1sjr n SER 103 Ca -0.02 0.28 0.03 0.00 1.01 0.00 0.00 58.87 60.17 1sjr n SER 103 Cb 0.22 -0.24 0.04 0.00 -1.01 0.00 0.00 64.21 63.22 1sjr n SER 103 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1sjr n LEU 104 N -2.01 0.66 -4.48 -3.43 4.77 -0.46 -4.97 117.00 107.08 1sjr n LEU 104 Ca 0.05 -1.59 -0.43 0.00 -0.03 0.00 0.00 56.01 54.01 1sjr n LEU 104 Cb 0.41 -0.12 -0.04 0.00 -2.33 0.00 0.00 43.42 41.34 1sjr n LEU 104 CO 0.33 0.38 0.74 1.51 -1.33 0.00 0.00 177.39 179.02 1sjr s ASP 105 N -1.53 6.23 0.00 -1.43 -4.77 0.46 -3.65 116.67 111.98 1sjr s ASP 105 Ca 0.09 -0.77 0.00 0.00 -3.30 0.00 0.00 52.55 48.57 1sjr s ASP 105 Cb 0.08 -2.42 0.00 0.00 -1.09 0.00 0.00 42.92 39.49 1sjr s ASP 105 CO 0.01 -1.35 0.00 0.61 0.70 0.00 0.00 175.17 175.14 1sjr n GLY 106 N 5.25 0.89 4.01 2.12 0.00 -1.26 -4.98 105.19 111.22 1sjr n GLY 106 Ca -0.02 -0.20 -0.20 0.00 0.00 0.00 0.00 46.02 45.60 1sjr n GLY 106 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1sjr s GLN 107 N -0.37 2.40 0.39 1.61 -0.21 -1.24 -4.99 119.66 117.25 1sjr s GLN 107 Ca 0.00 -1.22 0.08 0.00 0.02 0.00 0.00 55.36 54.23 1sjr s GLN 107 Cb 0.00 -2.59 -0.07 0.00 1.00 0.00 0.00 33.01 31.36 1sjr s GLN 107 CO 0.00 -0.76 0.04 0.54 -2.12 0.00 0.00 175.29 172.99 1sjr s ASN 108 N -4.53 4.06 -0.06 5.90 2.20 -1.26 -3.28 114.94 117.97 1sjr s ASN 108 Ca 0.60 -1.20 -0.04 0.00 -0.94 0.00 0.00 52.86 51.28 1sjr s ASN 108 Cb -0.08 -0.44 -0.03 0.00 -2.00 0.00 0.00 41.25 38.70 1sjr s ASN 108 CO 0.38 -0.41 -0.09 -0.38 -2.94 0.00 0.00 177.10 173.66 1sjr n ILE 109 N -1.02 0.46 -3.49 0.54 5.41 -1.02 -4.94 119.36 115.31 1sjr n ILE 109 Ca -0.04 -0.06 -0.42 0.00 1.00 0.00 0.00 62.75 63.23 1sjr n ILE 109 Cb 0.65 -1.61 -0.08 0.00 -0.71 0.00 0.00 39.64 37.89 1sjr n ILE 109 CO 0.00 0.00 0.00 -0.31 0.00 0.00 0.00 176.55 176.24 1sjr s TYR 110 N -2.14 3.37 0.00 1.39 1.51 -1.23 -4.89 117.35 115.37 1sjr s TYR 110 Ca -0.10 -1.68 0.00 0.00 -1.01 0.00 0.00 57.07 54.29 1sjr s TYR 110 Cb 0.04 -3.52 0.00 0.00 -0.11 0.00 0.00 41.96 38.36 1sjr s TYR 110 CO 0.12 -0.98 0.00 0.09 -1.11 0.00 0.00 175.55 173.67 1sjr n ASN 111 N 5.00 0.00 -1.67 2.29 4.13 -1.26 -1.40 115.26 122.35 1sjr n ASN 111 Ca -0.10 0.00 -0.04 0.00 1.68 0.00 0.00 54.58 56.12 1sjr n ASN 111 Cb 0.41 0.00 0.01 0.00 -1.54 0.00 0.00 39.78 38.65 1sjr n ASN 111 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1sjr n ALA 112 N 0.71 3.30 -3.25 5.41 0.00 -1.26 -4.94 120.51 120.49 1sjr n ALA 112 Ca 0.00 -1.06 0.00 0.00 0.00 0.00 0.00 53.44 52.38 1sjr n ALA 112 Cb 0.00 -0.55 0.00 0.00 0.00 0.00 0.00 19.45 18.90 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 -4.51 0.00 -3.85 0.00 -1.04 -1.26 -4.37 114.28 99.25 1sjr n THR 115 Ca -0.08 0.00 -0.36 0.00 -2.04 0.00 0.00 64.05 61.57 1sjr n THR 115 Cb 0.60 -0.08 -0.13 0.00 -1.82 0.00 0.00 70.33 68.89 1sjr n THR 115 CO 0.00 0.00 0.00 -1.48 -0.64 0.00 0.00 175.07 172.95 1sjr s LEU 116 N 0.50 3.62 -0.40 -4.42 0.05 -1.20 -1.05 118.68 115.77 1sjr s LEU 116 Ca 0.75 -0.86 -0.19 0.00 0.05 0.00 0.00 54.13 53.89 1sjr s LEU 116 Cb -1.06 -1.78 0.01 0.00 -2.05 0.00 0.00 46.19 41.32 1sjr s LEU 116 CO 0.50 -0.18 0.56 -0.13 -0.55 0.00 0.00 176.35 176.55 1sjr s ARG 117 N 1.40 3.37 -0.09 1.48 1.81 -0.13 -4.15 118.95 122.65 1sjr s ARG 117 Ca 0.01 -0.36 -0.11 0.00 -1.72 0.00 0.00 55.73 53.55 1sjr s ARG 117 Cb -0.17 -3.90 -0.05 0.00 -0.45 0.00 0.00 34.95 30.38 1sjr s ARG 117 CO -0.01 -0.85 0.25 0.42 -0.68 0.00 0.00 175.30 174.44 1sjr s ILE 118 N 2.54 5.31 0.19 1.52 1.01 -1.26 -1.63 121.20 128.88 1sjr s ILE 118 Ca 0.19 0.47 -0.05 0.00 0.00 0.00 0.00 60.65 61.27 1sjr s ILE 118 Cb -0.15 -3.54 0.02 0.00 0.01 0.00 0.00 42.46 38.80 1sjr s ILE 118 CO 0.16 0.57 0.34 0.47 0.00 0.00 0.00 174.94 176.48 1sjr n ASP 119 N 2.20 -0.99 -4.80 3.58 9.92 -1.03 -4.95 116.55 120.49 1sjr n ASP 119 Ca -0.17 -1.88 -0.36 0.00 -0.53 0.00 0.00 54.79 51.85 1sjr n ASP 119 Cb 0.54 1.70 -0.07 0.00 -0.64 0.00 0.00 41.12 42.65 1sjr n ASP 119 CO 0.00 0.00 0.00 -0.36 0.13 0.00 0.00 177.20 176.97 1sjr s PHE 120 N -4.87 3.51 1.10 1.24 0.08 -1.26 0.04 117.98 117.82 1sjr s PHE 120 Ca 0.11 0.48 -0.19 0.00 0.12 0.00 0.00 56.93 57.45 1sjr s PHE 120 Cb -0.02 -2.10 0.10 0.00 -0.57 0.00 0.00 43.02 40.44 1sjr s PHE 120 CO 0.08 0.49 -0.03 0.45 -0.10 0.00 0.00 175.22 176.10 1sjr n SER 121 N 2.81 -2.61 -0.06 1.36 2.88 -0.49 -4.81 113.62 112.70 1sjr n SER 121 Ca -0.17 -0.20 -0.20 0.00 -1.33 0.00 0.00 58.87 56.97 1sjr n SER 121 Cb 0.53 -0.87 -0.13 0.00 -0.75 0.00 0.00 64.21 62.99 1sjr n SER 121 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 1sjr n LYS 122 N -1.75 0.70 -0.25 -1.46 0.00 -1.26 -4.18 118.16 109.97 1sjr n LYS 122 Ca 0.02 0.21 0.05 0.00 0.00 0.00 0.00 58.31 58.58 1sjr n LYS 122 Cb 0.57 -1.61 0.16 0.00 0.00 0.00 0.00 35.03 34.15 1sjr n LYS 122 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 1sjr n LEU 123 N -3.40 2.25 -0.98 3.14 4.32 -1.26 -4.85 117.00 116.23 1sjr n LEU 123 Ca -0.39 -1.13 -0.12 0.00 -0.02 0.00 0.00 56.01 54.34 1sjr n LEU 123 Cb 1.01 -0.35 -0.05 0.00 -1.62 0.00 0.00 43.42 42.41 1sjr n LEU 123 CO 0.34 0.43 -0.12 0.35 -1.22 0.00 0.00 177.39 177.17 1sjr n THR 124 N 0.40 0.00 -3.57 -5.08 -2.24 -1.26 -4.86 114.28 97.67 1sjr n THR 124 Ca 0.12 0.00 -0.06 0.00 -2.27 0.00 0.00 64.05 61.84 1sjr n THR 124 Cb 0.42 -1.54 -0.02 0.00 -2.10 0.00 0.00 70.33 67.09 1sjr n THR 124 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1sjr s SER 125 N -2.39 -0.20 0.46 3.42 1.04 -1.26 -4.73 113.70 110.04 1sjr s SER 125 Ca 0.00 0.03 0.02 0.00 0.48 0.00 0.00 55.95 56.48 1sjr s SER 125 Cb 0.00 0.21 0.01 0.00 0.10 0.00 0.00 66.02 66.33 1sjr s SER 125 CO 0.00 -0.32 0.67 -0.76 0.98 0.00 0.00 173.24 173.80 1sjr s LEU 126 N -2.13 3.59 -0.95 2.42 1.43 -1.26 -4.81 118.68 116.97 1sjr s LEU 126 Ca 0.08 0.11 -0.05 0.00 -1.03 0.00 0.00 54.13 53.24 1sjr s LEU 126 Cb -0.01 -3.01 0.24 0.00 0.03 0.00 0.00 46.19 43.44 1sjr s LEU 126 CO -0.05 -0.78 0.88 0.20 0.23 0.00 0.00 176.35 176.82 1sjr s ASN 127 N -4.27 6.49 -0.15 2.29 0.01 -1.26 -5.01 114.94 113.05 1sjr s ASN 127 Ca 0.51 -3.55 -0.00 0.00 -0.71 0.00 0.00 52.86 49.11 1sjr s ASN 127 Cb -0.10 -2.04 0.03 0.00 0.41 0.00 0.00 41.25 39.55 1sjr s ASN 127 CO 0.37 -0.26 -0.09 0.54 -1.51 0.00 0.00 177.10 176.15 1sjr s VAL 128 N -1.13 1.28 0.00 1.60 0.11 -1.26 -4.95 120.40 116.06 1sjr s VAL 128 Ca 0.27 -0.56 0.00 0.00 -2.93 0.00 0.00 61.98 58.76 1sjr s VAL 128 Cb -0.09 -1.31 0.00 0.00 -1.53 0.00 0.00 36.38 33.44 1sjr s VAL 128 CO -0.10 0.31 0.64 0.29 -3.33 0.00 0.00 175.10 172.91 1sjr n LYS 129 N 4.84 0.00 -3.48 1.54 4.76 -1.26 -5.03 118.16 119.54 1sjr n LYS 129 Ca -0.14 -0.59 -0.11 0.00 -2.87 0.00 0.00 58.31 54.60 1sjr n LYS 129 Cb 0.49 -0.41 -0.02 0.00 -1.84 0.00 0.00 35.03 33.25 1sjr n LYS 129 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 1sjr s TYR 130 N 0.00 -0.48 -0.88 2.13 1.51 -1.26 -4.85 117.35 113.52 1sjr s TYR 130 Ca 0.00 0.24 -0.21 0.00 -1.01 0.00 0.00 57.07 56.09 1sjr s TYR 130 Cb 0.00 0.58 0.09 0.00 -0.11 0.00 0.00 41.96 42.52 1sjr s TYR 130 CO 0.00 -0.88 1.18 -0.80 -1.11 0.00 0.00 175.55 173.94 1sjr s ASN 131 N -2.76 6.47 -0.18 2.29 0.01 0.42 -4.71 114.94 116.48 1sjr s ASN 131 Ca 0.03 -1.56 0.00 0.00 -0.71 0.00 0.00 52.86 50.62 1sjr s ASN 131 Cb -0.02 -2.45 0.02 0.00 0.41 0.00 0.00 41.25 39.21 1sjr s ASN 131 CO -0.10 -1.31 -0.18 0.54 -1.51 0.00 0.00 177.10 174.54 1sjr s ASN 132 N 3.97 3.25 0.36 -1.22 2.20 -0.76 -4.36 114.94 118.39 1sjr s ASN 132 Ca 0.34 -0.62 0.32 0.00 -0.94 0.00 0.00 52.86 51.96 1sjr s ASN 132 Cb -0.07 -1.51 1.15 0.00 -2.00 0.00 0.00 41.25 38.83 1sjr s ASN 132 CO -0.04 -0.00 1.06 -0.90 -2.94 0.00 0.00 177.10 174.28 1sjr n ASP 133 N 4.63 0.02 -0.00 3.54 5.75 -1.26 0.28 116.55 129.51 1sjr n ASP 133 Ca -0.21 0.71 -0.17 0.00 -0.01 0.00 0.00 54.79 55.12 1sjr n ASP 133 Cb 0.50 -0.36 -0.12 0.00 -1.03 0.00 0.00 41.12 40.12 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 0.29 -6.17 0.11 1.79 -1.94 -3.45 116.57 107.20 1sjr h LYS 134 Ca 0.63 -0.34 -0.69 0.00 -2.18 0.00 0.00 60.65 58.08 1sjr h LYS 134 Cb 2.46 0.10 -0.27 0.00 -1.58 0.00 0.00 32.23 32.95 1sjr h LYS 134 CO -0.06 1.06 -0.81 -1.12 -1.08 0.00 0.00 179.45 177.44 1sjr s SER 135 N -6.60 3.67 -0.03 0.86 0.01 0.81 -1.16 113.70 111.26 1sjr s SER 135 Ca -0.14 -0.32 0.01 0.00 1.31 0.00 0.00 55.95 56.80 1sjr s SER 135 Cb 0.02 -0.87 0.02 0.00 0.21 0.00 0.00 66.02 65.40 1sjr s SER 135 CO 0.79 0.30 -0.02 -0.60 0.41 0.00 0.00 173.24 174.12 1sjr s ARG 136 N -0.44 0.39 -0.10 12.44 6.06 0.17 -1.84 118.95 135.63 1sjr s ARG 136 Ca 0.05 0.00 0.01 0.00 -2.50 0.00 0.00 55.73 53.29 1sjr s ARG 136 Cb -0.12 -0.50 -0.02 0.00 0.06 0.00 0.00 34.95 34.37 1sjr s ARG 136 CO 0.02 -0.08 -0.13 0.16 -2.50 0.00 0.00 175.30 172.77 1sjr s ASP 137 N 0.77 4.06 -0.44 -2.12 1.47 -1.26 0.16 116.67 119.30 1sjr s ASP 137 Ca -0.08 -0.26 0.04 0.00 1.18 0.00 0.00 52.55 53.43 1sjr s ASP 137 Cb -0.11 -1.29 0.61 0.00 -0.34 0.00 0.00 42.92 41.79 1sjr s ASP 137 CO -0.01 0.25 1.83 -1.22 0.68 0.00 0.00 175.17 176.70 1sjr n TYR 138 N 2.98 2.70 -0.27 2.11 4.01 0.24 -4.17 117.16 124.75 1sjr n TYR 138 Ca -0.18 -1.94 0.00 0.00 -0.16 0.00 0.00 57.90 55.62 1sjr n TYR 138 Cb 0.52 -0.90 0.00 0.00 -0.31 0.00 0.00 39.34 38.65 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 -1.11 0.28 0.00 -0.72 5.66 -1.10 -4.85 114.28 112.44 1sjr n THR 139 Ca 0.55 -0.50 0.00 0.00 -3.05 0.00 0.00 64.05 61.04 1sjr n THR 139 Cb 1.43 1.03 0.00 0.00 -1.55 0.00 0.00 70.33 71.24 1sjr n THR 139 CO 0.00 0.00 0.00 -1.14 -3.05 0.00 0.00 175.07 170.88 1sjr n ARG 140 N -0.14 0.00 0.15 1.09 0.63 -1.26 -5.02 116.66 112.11 1sjr n ARG 140 Ca 0.00 0.00 0.13 0.00 -0.92 0.00 0.00 57.85 57.06 1sjr n ARG 140 Cb 0.17 0.00 0.44 0.00 0.45 0.00 0.00 32.46 33.52 1sjr n ARG 140 CO 0.00 0.00 0.00 -1.00 -2.51 0.00 0.00 177.63 174.12 1sjr h PRO 141 N 0.00 0.00 0.00 -0.14 0.13 -1.92 -3.06 132.00 127.01 1sjr h PRO 141 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1sjr h PRO 141 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1sjr h PRO 141 CO 0.00 0.00 0.00 -3.47 -0.23 0.00 0.00 178.00 174.30 1sjr n ASP 142 N -2.49 0.00 -4.78 1.44 -0.08 -1.26 -4.77 116.55 104.61 1sjr n ASP 142 Ca 0.03 -0.06 -0.37 0.00 -1.51 0.00 0.00 54.79 52.88 1sjr n ASP 142 Cb 0.36 -0.22 -0.03 0.00 2.34 0.00 0.00 41.12 43.56 1sjr n ASP 142 CO 0.00 0.00 0.00 -0.76 0.12 0.00 0.00 177.20 176.56 1sjr s LEU 143 N -2.45 4.13 1.21 -2.67 1.02 -1.16 -5.04 118.68 113.72 1sjr s LEU 143 Ca 0.17 2.15 -0.20 0.00 0.02 0.00 0.00 54.13 56.27 1sjr s LEU 143 Cb 0.11 -4.16 0.29 0.00 0.02 0.00 0.00 46.19 42.45 1sjr s LEU 143 CO 0.23 -0.60 1.13 -2.16 0.02 0.00 0.00 176.35 174.97 1sjr s PRO 144 N -2.48 -1.28 -0.41 1.29 0.04 -1.26 -4.40 135.00 126.50 1sjr s PRO 144 Ca 0.59 -0.18 0.09 0.00 0.04 0.00 0.00 61.00 61.54 1sjr s PRO 144 Cb -0.25 -1.60 0.43 0.00 0.04 0.00 0.00 34.50 33.12 1sjr s PRO 144 CO 0.31 -3.73 1.04 -1.13 0.04 0.00 0.00 177.00 173.53 1sjr n SER 145 N -4.75 3.51 -0.08 6.66 3.41 -1.26 -0.44 113.62 120.67 1sjr n SER 145 Ca 0.14 -3.37 -0.13 0.00 -0.26 0.00 0.00 58.87 55.26 1sjr n SER 145 Cb 0.60 -0.49 -0.07 0.00 -0.26 0.00 0.00 64.21 63.98 1sjr n SER 145 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 1sjr h GLY 146 N 2.76 0.00 0.00 5.00 0.00 -1.95 -3.47 103.07 105.40 1sjr h GLY 146 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.48 1sjr h GLY 146 CO 0.72 0.00 0.00 1.34 0.00 0.00 0.00 176.54 178.60