#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sjr s ALA 41 N 0.00 -3.05 0.40 3.04 0.00 -1.26 -5.16 121.76 115.73 1sjr s ALA 41 Ca 0.00 1.41 -0.13 0.00 0.00 0.00 0.00 51.96 53.24 1sjr s ALA 41 Cb 0.00 -2.52 -0.08 0.00 0.00 0.00 0.00 23.12 20.52 1sjr s ALA 41 CO 0.00 -1.69 0.80 0.20 0.00 0.00 0.00 175.76 175.08 1sjr s GLY 42 N 2.90 2.10 -0.45 0.00 0.00 -1.26 -4.95 107.32 105.67 1sjr s GLY 42 Ca 0.14 -0.04 -0.07 0.00 0.00 0.00 0.00 44.72 44.75 1sjr s GLY 42 CO -0.20 0.18 3.41 -0.18 0.00 0.00 0.00 173.10 176.30 1sjr n GLN 43 N -1.04 2.44 -3.50 2.90 -0.06 -1.26 -4.67 117.38 112.19 1sjr n GLN 43 Ca 0.04 -1.32 -0.27 0.00 -2.00 0.00 0.00 57.00 53.45 1sjr n GLN 43 Cb 0.54 -2.21 -0.14 0.00 -4.06 0.00 0.00 30.24 24.37 1sjr n GLN 43 CO 0.00 0.00 0.00 -1.12 -0.20 0.00 0.00 177.06 175.74 1sjr s SER 44 N 2.07 3.15 -1.04 1.69 0.01 -1.26 -4.94 113.70 113.38 1sjr s SER 44 Ca 0.67 -1.39 -0.23 0.00 1.31 0.00 0.00 55.95 56.31 1sjr s SER 44 Cb 0.28 -0.23 0.01 0.00 0.21 0.00 0.00 66.02 66.29 1sjr s SER 44 CO -0.02 -0.41 1.69 -2.16 0.41 0.00 0.00 173.24 172.75 1sjr s PRO 45 N 1.94 3.23 -0.21 12.44 0.04 -1.26 -4.89 135.00 146.28 1sjr s PRO 45 Ca 0.11 -0.99 -0.04 0.00 0.04 0.00 0.00 61.00 60.11 1sjr s PRO 45 Cb -0.17 -5.28 0.08 0.00 0.04 0.00 0.00 34.50 29.17 1sjr s PRO 45 CO -0.29 -2.74 0.13 0.08 0.04 0.00 0.00 177.00 174.22 1sjr s VAL 46 N 7.00 -0.14 0.14 -0.36 1.01 -1.26 -1.23 120.40 125.56 1sjr s VAL 46 Ca 0.57 -0.31 0.04 0.00 0.00 0.00 0.00 61.98 62.29 1sjr s VAL 46 Cb -0.02 -0.70 -0.04 0.00 0.00 0.00 0.00 36.38 35.62 1sjr s VAL 46 CO -0.03 -0.38 0.13 -0.76 0.00 0.00 0.00 175.10 174.06 1sjr s LEU 47 N 2.17 3.82 -0.28 3.92 1.43 -0.96 -0.88 118.68 127.91 1sjr s LEU 47 Ca 0.05 -0.09 0.02 0.00 -1.03 0.00 0.00 54.13 53.07 1sjr s LEU 47 Cb -0.16 -2.45 0.08 0.00 0.03 0.00 0.00 46.19 43.69 1sjr s LEU 47 CO -0.17 0.09 -0.00 -0.60 0.23 0.00 0.00 176.35 175.90 1sjr s ARG 48 N -2.94 1.46 0.33 1.70 3.00 0.33 -1.83 118.95 121.00 1sjr s ARG 48 Ca 0.31 -1.28 -0.20 0.00 -1.00 0.00 0.00 55.73 53.55 1sjr s ARG 48 Cb -0.11 -2.67 -0.10 0.00 0.00 0.00 0.00 34.95 32.08 1sjr s ARG 48 CO 0.23 -0.76 0.84 0.42 0.00 0.00 0.00 175.30 176.03 1sjr s ILE 49 N 1.28 4.48 -0.23 4.11 1.01 0.28 -2.25 121.20 129.87 1sjr s ILE 49 Ca 0.02 1.36 -0.04 0.00 0.00 0.00 0.00 60.65 61.98 1sjr s ILE 49 Cb -0.19 -3.74 0.08 0.00 0.01 0.00 0.00 42.46 38.62 1sjr s ILE 49 CO -0.10 -0.08 0.10 -0.63 0.00 0.00 0.00 174.94 174.23 1sjr s ILE 50 N -1.88 -0.00 0.08 2.92 1.01 0.88 -0.93 121.20 123.27 1sjr s ILE 50 Ca 0.53 -0.49 -0.30 0.00 0.00 0.00 0.00 60.65 60.40 1sjr s ILE 50 Cb -0.13 -0.82 -0.05 0.00 0.01 0.00 0.00 42.46 41.47 1sjr s ILE 50 CO 0.18 -0.48 1.03 -0.69 0.00 0.00 0.00 174.94 174.98 1sjr s VAL 51 N 2.08 4.41 -0.06 2.92 1.01 -0.66 -2.07 120.40 128.04 1sjr s VAL 51 Ca 0.05 1.88 0.04 0.00 0.00 0.00 0.00 61.98 63.95 1sjr s VAL 51 Cb -0.16 -4.20 -0.00 0.00 0.00 0.00 0.00 36.38 32.02 1sjr s VAL 51 CO -0.21 0.23 -0.19 -1.61 0.00 0.00 0.00 175.10 173.31 1sjr s GLU 52 N 0.42 2.12 0.00 2.72 2.02 -0.94 -4.22 118.70 120.83 1sjr s GLU 52 Ca 0.51 -0.67 0.00 0.00 0.02 0.00 0.00 54.97 54.83 1sjr s GLU 52 Cb -0.25 -1.76 0.00 0.00 0.10 0.00 0.00 34.13 32.22 1sjr s GLU 52 CO 0.30 0.21 0.00 0.09 0.02 0.00 0.00 175.26 175.88 1sjr n ASN 53 N 3.31 -1.84 -4.49 -0.19 3.02 -1.26 -2.43 115.26 111.38 1sjr n ASN 53 Ca -0.19 0.00 -0.43 0.00 -0.03 0.00 0.00 54.58 53.93 1sjr n ASN 53 Cb 0.53 -0.92 -0.05 0.00 -0.61 0.00 0.00 39.78 38.72 1sjr n ASN 53 CO 0.00 0.00 0.00 -1.48 -2.62 0.00 0.00 177.26 173.16 1sjr s LEU 54 N 0.00 4.51 0.00 3.41 0.05 -1.26 -3.99 118.68 121.40 1sjr s LEU 54 Ca 0.00 -0.61 0.00 0.00 0.05 0.00 0.00 54.13 53.57 1sjr s LEU 54 Cb 0.00 -2.65 0.00 0.00 -2.05 0.00 0.00 46.19 41.49 1sjr s LEU 54 CO 0.00 -1.07 0.00 0.33 -0.55 0.00 0.00 176.35 175.06 1sjr n PHE 55 N 6.85 0.00 -4.47 3.48 7.35 -1.26 -5.07 117.46 124.34 1sjr n PHE 55 Ca -0.02 0.00 -0.30 0.00 -0.76 0.00 0.00 57.45 56.37 1sjr n PHE 55 Cb 0.46 0.04 -0.12 0.00 0.35 0.00 0.00 39.48 40.21 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 -1.96 2.58 0.15 -5.13 2.02 -1.26 -5.11 117.35 108.64 1sjr s TYR 56 Ca 0.00 -0.24 -0.31 0.00 -0.37 0.00 0.00 57.07 56.15 1sjr s TYR 56 Cb 0.00 -1.42 -0.08 0.00 -0.40 0.00 0.00 41.96 40.06 1sjr s TYR 56 CO 0.00 0.33 1.31 -1.25 -1.57 0.00 0.00 175.55 174.37 1sjr s PRO 57 N -1.80 4.38 0.30 -1.71 0.04 -1.26 -5.02 135.00 129.93 1sjr s PRO 57 Ca 0.17 2.00 0.01 0.00 0.04 0.00 0.00 61.00 63.22 1sjr s PRO 57 Cb -0.11 -3.24 -0.02 0.00 0.04 0.00 0.00 34.50 31.17 1sjr s PRO 57 CO 0.08 -0.30 0.32 0.14 0.04 0.00 0.00 177.00 177.29 1sjr s VAL 58 N 0.57 0.00 0.00 -0.36 -7.23 -1.26 -5.16 120.40 106.96 1sjr s VAL 58 Ca 0.59 -1.83 0.00 0.00 -1.81 0.00 0.00 61.98 58.93 1sjr s VAL 58 Cb -0.35 -2.52 0.00 0.00 0.56 0.00 0.00 36.38 34.07 1sjr s VAL 58 CO 0.34 0.00 0.00 1.07 -0.31 0.00 0.00 175.10 176.20 1sjr n THR 59 N -0.51 0.00 0.01 5.32 5.66 -1.26 -5.06 114.28 118.45 1sjr n THR 59 Ca 0.04 0.00 -0.13 0.00 -3.05 0.00 0.00 64.05 60.91 1sjr n THR 59 Cb 0.63 0.00 -0.09 0.00 -1.55 0.00 0.00 70.33 69.31 1sjr n THR 59 CO 0.00 0.00 0.00 -0.07 -3.05 0.00 0.00 175.07 171.95 1sjr h LEU 60 N 0.00 -0.05 -1.71 1.09 4.07 -1.97 -3.00 115.31 113.74 1sjr h LEU 60 Ca 0.00 -0.42 0.47 0.00 0.08 0.00 0.00 57.88 58.01 1sjr h LEU 60 Cb 0.00 0.01 -0.06 0.00 1.08 0.00 0.00 40.66 41.69 1sjr h LEU 60 CO 0.00 0.40 1.31 0.44 -1.08 0.00 0.00 178.44 179.51 1sjr h ASP 61 N -0.51 0.00 0.00 -0.43 3.32 -1.98 0.46 116.42 117.27 1sjr h ASP 61 Ca -0.01 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.03 1sjr h ASP 61 Cb 0.46 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.01 1sjr h ASP 61 CO 0.01 0.00 -0.11 0.58 -1.72 0.00 0.00 179.24 178.00 1sjr h VAL 62 N 0.00 1.21 -0.60 -1.35 2.07 -1.94 -2.94 116.25 112.70 1sjr h VAL 62 Ca 0.77 -1.94 0.02 0.00 0.82 0.00 0.00 66.70 66.37 1sjr h VAL 62 Cb 3.37 2.31 -0.03 0.00 -1.52 0.00 0.00 31.29 35.43 1sjr h VAL 62 CO -0.01 0.41 0.40 0.17 0.02 0.00 0.00 177.57 178.56 1sjr h LEU 63 N -1.00 0.63 0.64 2.57 8.10 -0.18 -2.25 115.31 123.83 1sjr h LEU 63 Ca -0.03 -0.01 -0.03 0.00 0.11 0.00 0.00 57.88 57.92 1sjr h LEU 63 Cb 0.74 -0.15 0.01 0.00 -0.44 0.00 0.00 40.66 40.82 1sjr h LEU 63 CO -0.02 0.45 -0.31 -0.74 -4.11 0.00 0.00 178.44 173.71 1sjr h HIS 64 N 0.74 -0.80 -0.02 0.17 2.76 -0.71 -2.51 115.15 114.79 1sjr h HIS 64 Ca 0.23 -0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.39 1sjr h HIS 64 Cb 0.02 0.26 -0.00 0.00 1.55 0.00 0.00 27.41 29.24 1sjr h HIS 64 CO -0.00 -0.47 0.36 1.96 -1.30 0.00 0.00 177.93 178.48 1sjr h GLN 65 N -1.17 0.00 0.07 5.26 4.20 -1.36 0.89 115.11 122.99 1sjr h GLN 65 Ca -0.09 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.62 1sjr h GLN 65 Cb 0.69 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.47 1sjr h GLN 65 CO 0.14 0.00 -0.03 0.82 -0.67 0.00 0.00 178.83 179.09 1sjr h ILE 66 N 0.00 0.00 0.00 2.54 1.08 -1.15 -3.33 117.51 116.65 1sjr h ILE 66 Ca 0.01 -0.26 0.00 0.00 -0.39 0.00 0.00 64.86 64.22 1sjr h ILE 66 Cb 0.73 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 34.48 1sjr h ILE 66 CO -0.00 0.00 0.00 0.49 -0.69 0.00 0.00 178.15 177.95 1sjr n PHE 67 N -2.95 0.62 1.69 1.37 3.72 -0.96 -2.34 117.46 118.60 1sjr n PHE 67 Ca -0.01 0.22 0.12 0.00 -0.05 0.00 0.00 57.45 57.74 1sjr n PHE 67 Cb 0.03 -0.86 0.73 0.00 -0.94 0.00 0.00 39.48 38.45 1sjr n PHE 67 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1sjr n SER 68 N -2.04 0.00 -0.12 4.37 2.88 0.30 -2.74 113.62 116.27 1sjr n SER 68 Ca 0.03 -0.91 -0.25 0.00 -1.33 0.00 0.00 58.87 56.41 1sjr n SER 68 Cb 0.26 0.00 -0.11 0.00 -0.75 0.00 0.00 64.21 63.61 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 -0.96 0.60 0.01 -1.46 0.00 -0.99 -4.23 118.16 111.14 1sjr n LYS 69 Ca 0.19 0.36 0.10 0.00 0.00 0.00 0.00 58.31 58.95 1sjr n LYS 69 Cb 0.09 -1.60 0.42 0.00 0.00 0.00 0.00 35.03 33.93 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 -4.17 0.07 0.00 5.64 3.01 -1.21 -4.90 117.46 115.91 1sjr n PHE 70 Ca -0.44 0.03 0.00 0.00 1.01 0.00 0.00 57.45 58.04 1sjr n PHE 70 Cb 0.84 -0.54 0.00 0.00 -0.01 0.00 0.00 39.48 39.77 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 0.49 1.43 3.72 1.37 0.00 -1.11 -4.74 105.19 106.35 1sjr n GLY 71 Ca 0.05 -0.86 -0.42 0.00 0.00 0.00 0.00 46.02 44.79 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 3.20 -0.50 2.61 2.01 -1.26 -3.73 115.64 115.97 1sjr s THR 72 Ca 0.00 0.88 -0.17 0.00 0.31 0.00 0.00 61.69 62.71 1sjr s THR 72 Cb 0.00 -3.56 0.07 0.00 0.01 0.00 0.00 72.50 69.02 1sjr s THR 72 CO 0.00 0.08 0.53 -0.69 -0.69 0.00 0.00 174.62 173.85 1sjr s VAL 73 N 0.92 5.04 0.11 3.82 1.01 -1.26 -2.75 120.40 127.29 1sjr s VAL 73 Ca 0.64 -0.82 -0.21 0.00 0.00 0.00 0.00 61.98 61.59 1sjr s VAL 73 Cb -0.38 -4.24 -0.10 0.00 0.00 0.00 0.00 36.38 31.66 1sjr s VAL 73 CO 0.32 -0.73 1.75 -0.07 0.00 0.00 0.00 175.10 176.37 1sjr h LEU 74 N 9.28 0.14 -8.28 3.92 4.07 -1.79 -3.41 115.31 119.25 1sjr h LEU 74 Ca -0.28 -0.01 -0.12 0.00 0.08 0.00 0.00 57.88 57.55 1sjr h LEU 74 Cb 1.10 -0.03 -0.12 0.00 1.08 0.00 0.00 40.66 42.69 1sjr h LEU 74 CO 0.94 0.11 -0.30 -0.54 -1.08 0.00 0.00 178.44 177.57 1sjr s LYS 75 N -6.14 1.34 -0.03 1.13 3.01 -1.26 0.17 119.74 117.97 1sjr s LYS 75 Ca -0.13 -1.32 -0.28 0.00 -1.01 0.00 0.00 55.97 53.23 1sjr s LYS 75 Cb 0.07 0.39 0.06 0.00 -1.01 0.00 0.00 37.83 37.35 1sjr s LYS 75 CO 0.68 -0.51 0.61 0.42 0.51 0.00 0.00 175.35 177.05 1sjr s ILE 76 N -4.04 0.01 -0.01 2.17 1.01 0.27 -2.88 121.20 117.72 1sjr s ILE 76 Ca 0.25 -0.09 -0.07 0.00 0.00 0.00 0.00 60.65 60.74 1sjr s ILE 76 Cb 0.02 -0.93 0.01 0.00 0.01 0.00 0.00 42.46 41.56 1sjr s ILE 76 CO 0.07 -0.05 0.15 -0.63 0.00 0.00 0.00 174.94 174.48 1sjr s ILE 77 N -1.34 0.06 0.01 2.92 1.01 -0.29 0.42 121.20 124.00 1sjr s ILE 77 Ca -0.11 -0.53 -0.02 0.00 0.00 0.00 0.00 60.65 59.99 1sjr s ILE 77 Cb -0.01 -0.39 -0.01 0.00 0.01 0.00 0.00 42.46 42.06 1sjr s ILE 77 CO 0.08 -0.29 0.03 0.42 0.00 0.00 0.00 174.94 175.17 1sjr s THR 78 N -1.05 0.09 0.03 2.92 -4.23 0.15 -0.85 115.64 112.70 1sjr s THR 78 Ca -0.11 -0.72 -0.04 0.00 -1.18 0.00 0.00 61.69 59.64 1sjr s THR 78 Cb -0.06 -0.28 0.01 0.00 1.34 0.00 0.00 72.50 73.51 1sjr s THR 78 CO 0.01 -0.40 0.17 2.22 -0.54 0.00 0.00 174.62 176.09 1sjr n PHE 79 N 1.76 -0.74 -3.61 3.99 -1.74 -0.97 -4.56 117.46 111.59 1sjr n PHE 79 Ca -0.22 -0.22 -0.26 0.00 -0.56 0.00 0.00 57.45 56.19 1sjr n PHE 79 Cb 0.56 0.11 -0.17 0.00 1.52 0.00 0.00 39.48 41.50 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 -2.51 -0.09 -0.73 1.97 2.01 -1.25 -0.99 115.64 114.05 1sjr s THR 80 Ca 0.04 -0.18 -0.20 0.00 0.31 0.00 0.00 61.69 61.65 1sjr s THR 80 Cb -0.01 -0.59 0.10 0.00 0.01 0.00 0.00 72.50 72.02 1sjr s THR 80 CO 0.01 -0.30 0.93 -0.75 -0.69 0.00 0.00 174.62 173.82 1sjr s LYS 81 N 2.14 3.26 -1.41 4.92 2.20 -0.69 -4.25 119.74 125.90 1sjr s LYS 81 Ca 0.02 -1.32 -0.08 0.00 -0.36 0.00 0.00 55.97 54.23 1sjr s LYS 81 Cb -0.16 -4.46 0.01 0.00 -1.51 0.00 0.00 37.83 31.72 1sjr s LYS 81 CO -0.10 -1.71 1.05 0.09 -0.36 0.00 0.00 175.35 174.32 1sjr n ASN 82 N 6.81 -6.25 -0.47 1.43 3.02 -1.26 -2.88 115.26 115.66 1sjr n ASN 82 Ca 0.04 -0.50 0.00 0.00 -0.03 0.00 0.00 54.58 54.09 1sjr n ASN 82 Cb 0.46 -4.95 0.00 0.00 -0.61 0.00 0.00 39.78 34.68 1sjr n ASN 82 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1sjr n ASN 83 N -2.90 -1.46 -3.61 6.41 5.15 -1.26 -5.07 115.26 112.52 1sjr n ASN 83 Ca -0.02 0.00 -0.29 0.00 -0.60 0.00 0.00 54.58 53.67 1sjr n ASN 83 Cb 0.57 -0.37 -0.15 0.00 -0.53 0.00 0.00 39.78 39.31 1sjr n ASN 83 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 1sjr s GLN 84 N -3.36 0.37 0.06 1.20 -0.21 -1.14 -5.08 119.66 111.50 1sjr s GLN 84 Ca 0.00 -0.73 -0.30 0.00 0.02 0.00 0.00 55.36 54.35 1sjr s GLN 84 Cb 0.00 -1.45 -0.08 0.00 1.00 0.00 0.00 33.01 32.48 1sjr s GLN 84 CO 0.00 -1.01 1.71 0.12 -2.12 0.00 0.00 175.29 173.99 1sjr s PHE 85 N 1.92 2.18 0.14 0.91 5.36 -1.26 -1.71 117.98 125.53 1sjr s PHE 85 Ca 0.09 0.16 0.07 0.00 -0.96 0.00 0.00 56.93 56.29 1sjr s PHE 85 Cb -0.16 -4.02 -0.04 0.00 -0.34 0.00 0.00 43.02 38.46 1sjr s PHE 85 CO -0.33 -4.21 -0.15 -0.65 -1.46 0.00 0.00 175.22 168.43 1sjr s GLN 86 N 3.07 1.11 -0.23 10.12 -0.21 -0.16 -1.65 119.66 131.70 1sjr s GLN 86 Ca 0.76 -1.31 -0.03 0.00 0.02 0.00 0.00 55.36 54.81 1sjr s GLN 86 Cb -0.40 -1.02 0.12 0.00 1.00 0.00 0.00 33.01 32.71 1sjr s GLN 86 CO 0.34 0.20 0.35 0.00 -2.12 0.00 0.00 175.29 174.05 1sjr s ALA 87 N -2.19 -0.94 0.30 6.09 0.00 -0.11 -2.29 121.76 122.62 1sjr s ALA 87 Ca 0.12 0.84 0.07 0.00 0.00 0.00 0.00 51.96 52.99 1sjr s ALA 87 Cb -0.05 -1.57 -0.03 0.00 0.00 0.00 0.00 23.12 21.47 1sjr s ALA 87 CO 0.04 -1.20 0.23 -0.51 0.00 0.00 0.00 175.76 174.33 1sjr s LEU 88 N 2.51 3.66 0.21 0.00 1.43 -0.03 0.10 118.68 126.56 1sjr s LEU 88 Ca 0.10 -0.41 -0.23 0.00 -1.03 0.00 0.00 54.13 52.56 1sjr s LEU 88 Cb -0.15 -2.23 0.04 0.00 0.03 0.00 0.00 46.19 43.88 1sjr s LEU 88 CO -0.15 -0.21 0.77 -1.48 0.23 0.00 0.00 176.35 175.51 1sjr s LEU 89 N -3.91 -0.30 -0.33 1.79 0.05 -0.76 -1.14 118.68 114.07 1sjr s LEU 89 Ca 0.37 -0.41 -0.01 0.00 0.05 0.00 0.00 54.13 54.13 1sjr s LEU 89 Cb -0.07 2.53 0.11 0.00 -2.05 0.00 0.00 46.19 46.71 1sjr s LEU 89 CO 0.25 -1.13 0.14 -1.58 -0.55 0.00 0.00 176.35 173.49 1sjr s GLN 90 N -3.69 0.65 1.17 1.48 0.74 -1.14 -2.25 119.66 116.61 1sjr s GLN 90 Ca 0.09 -1.12 -0.17 0.00 0.05 0.00 0.00 55.36 54.20 1sjr s GLN 90 Cb -0.04 -1.73 0.19 0.00 1.10 0.00 0.00 33.01 32.54 1sjr s GLN 90 CO 0.01 -1.06 0.37 0.66 -0.55 0.00 0.00 175.29 174.72 1sjr n TYR 91 N 4.62 -1.86 1.02 1.67 4.01 -0.37 -2.76 117.16 123.49 1sjr n TYR 91 Ca 0.01 -0.08 0.12 0.00 -0.16 0.00 0.00 57.90 57.79 1sjr n TYR 91 Cb 0.40 -1.53 0.30 0.00 -0.31 0.00 0.00 39.34 38.20 1sjr n TYR 91 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1sjr n ALA 92 N -4.75 3.39 -3.61 -0.72 0.00 -1.11 -4.68 120.51 109.03 1sjr n ALA 92 Ca 0.03 -0.33 -0.13 0.00 0.00 0.00 0.00 53.44 53.01 1sjr n ALA 92 Cb 0.56 -1.16 -0.07 0.00 0.00 0.00 0.00 19.45 18.79 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 -2.96 -0.61 0.47 0.00 1.01 -1.26 -5.02 116.67 108.30 1sjr s ASP 93 Ca 0.12 1.04 0.32 0.00 0.71 0.00 0.00 52.55 54.74 1sjr s ASP 93 Cb 0.18 1.01 1.66 0.00 1.01 0.00 0.00 42.92 46.78 1sjr s ASP 93 CO 0.67 -0.30 1.98 1.55 0.21 0.00 0.00 175.17 179.28 1sjr h PRO 94 N 4.14 0.00 -0.29 8.23 0.13 -1.91 -2.22 132.00 140.07 1sjr h PRO 94 Ca -0.27 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.72 1sjr h PRO 94 Cb 1.16 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.28 1sjr h PRO 94 CO 0.16 0.00 -0.37 0.28 -0.23 0.00 0.00 178.00 177.84 1sjr h VAL 95 N 0.00 1.29 0.05 1.56 2.07 -1.98 -1.41 116.25 117.83 1sjr h VAL 95 Ca 0.00 -1.52 -0.23 0.00 0.82 0.00 0.00 66.70 65.77 1sjr h VAL 95 Cb 0.10 1.46 -0.02 0.00 -1.52 0.00 0.00 31.29 31.31 1sjr h VAL 95 CO 0.00 0.49 -1.07 0.28 0.02 0.00 0.00 177.57 177.29 1sjr h SER 96 N 0.56 0.18 -0.16 0.57 0.02 -1.69 -3.08 113.55 109.95 1sjr h SER 96 Ca 0.05 -0.19 -0.17 0.00 -0.84 0.00 0.00 61.79 60.65 1sjr h SER 96 Cb 0.89 -0.06 -0.00 0.00 0.14 0.00 0.00 62.40 63.36 1sjr h SER 96 CO 0.08 1.13 -0.52 0.00 -1.14 0.00 0.00 176.83 176.37 1sjr h ALA 97 N 0.85 0.59 0.27 3.77 0.00 -1.45 0.19 119.26 123.47 1sjr h ALA 97 Ca -0.06 -0.50 -0.01 0.00 0.00 0.00 0.00 54.91 54.33 1sjr h ALA 97 Cb 1.81 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.52 1sjr h ALA 97 CO 0.16 0.68 -0.13 1.96 0.00 0.00 0.00 179.25 181.92 1sjr h GLN 98 N 0.57 -0.35 -0.41 0.00 1.08 -1.33 0.17 115.11 114.85 1sjr h GLN 98 Ca 0.02 0.02 -0.06 0.00 -1.45 0.00 0.00 58.65 57.19 1sjr h GLN 98 Cb 1.10 0.08 -0.02 0.00 -0.05 0.00 0.00 27.48 28.59 1sjr h GLN 98 CO 0.11 -0.06 0.04 0.45 -0.95 0.00 0.00 178.83 178.41 1sjr h HIS 99 N -0.63 0.75 0.71 2.96 3.86 -1.60 -3.01 115.15 118.20 1sjr h HIS 99 Ca -0.04 -0.12 -0.03 0.00 -1.16 0.00 0.00 60.37 59.02 1sjr h HIS 99 Cb 0.45 -0.20 0.01 0.00 1.06 0.00 0.00 27.41 28.72 1sjr h HIS 99 CO 0.01 0.75 -0.34 0.00 0.86 0.00 0.00 177.93 179.21 1sjr h ALA 100 N 0.91 -0.95 -0.99 2.45 0.00 -0.97 0.12 119.26 119.83 1sjr h ALA 100 Ca 0.12 -0.22 0.36 0.00 0.00 0.00 0.00 54.91 55.17 1sjr h ALA 100 Cb 0.42 0.37 -0.17 0.00 0.00 0.00 0.00 17.79 18.41 1sjr h ALA 100 CO 0.01 -0.97 0.46 -0.22 0.00 0.00 0.00 179.25 178.53 1sjr h LYS 101 N -1.08 0.11 0.00 0.00 3.64 -0.70 1.70 116.57 120.25 1sjr h LYS 101 Ca -0.10 -0.01 -0.10 0.00 -1.27 0.00 0.00 60.65 59.17 1sjr h LYS 101 Cb 0.76 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.54 1sjr h LYS 101 CO 0.16 0.08 -0.64 -0.07 -2.27 0.00 0.00 179.45 176.71 1sjr h LEU 102 N 0.12 0.00 -1.58 5.20 3.38 -1.37 -0.86 115.31 120.20 1sjr h LEU 102 Ca 0.76 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.68 1sjr h LEU 102 Cb 1.86 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.60 1sjr h LEU 102 CO -0.73 0.45 -0.22 0.28 0.09 0.00 0.00 178.44 178.31 1sjr h SER 103 N 0.00 0.00 0.00 -0.43 0.02 0.53 -3.39 113.55 110.28 1sjr h SER 103 Ca -0.03 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.92 1sjr h SER 103 Cb 1.37 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.91 1sjr h SER 103 CO 0.05 0.22 0.00 0.18 -1.14 0.00 0.00 176.83 176.14 1sjr n LEU 104 N -3.84 0.00 -2.25 5.07 4.77 -0.59 -4.97 117.00 115.19 1sjr n LEU 104 Ca -0.02 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.96 1sjr n LEU 104 Cb 0.31 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.32 1sjr n LEU 104 CO 0.34 -0.46 -0.12 -0.90 -1.33 0.00 0.00 177.39 174.93 1sjr n ASP 105 N -2.38 -5.16 0.00 -1.43 5.68 -0.33 -1.59 116.55 111.34 1sjr n ASP 105 Ca 0.00 0.55 0.00 0.00 -0.50 0.00 0.00 54.79 54.84 1sjr n ASP 105 Cb 0.00 -1.10 0.00 0.00 -1.14 0.00 0.00 41.12 38.88 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 1.75 0.25 3.73 6.12 0.00 0.70 -4.95 105.19 112.78 1sjr n GLY 106 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1sjr n GLY 106 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1sjr s GLN 107 N -1.06 4.32 0.53 1.61 -0.44 -0.62 -3.90 119.66 120.10 1sjr s GLN 107 Ca 0.00 2.15 -0.19 0.00 -2.50 0.00 0.00 55.36 54.82 1sjr s GLN 107 Cb 0.00 -3.18 -0.06 0.00 -1.64 0.00 0.00 33.01 28.12 1sjr s GLN 107 CO 0.00 -0.38 1.07 -0.80 0.50 0.00 0.00 175.29 175.68 1sjr s ASN 108 N 0.63 6.00 0.01 6.67 0.01 -1.26 -2.47 114.94 124.53 1sjr s ASN 108 Ca 0.61 1.98 0.22 0.00 -0.71 0.00 0.00 52.86 54.95 1sjr s ASN 108 Cb -0.39 -2.56 -0.08 0.00 0.41 0.00 0.00 41.25 38.64 1sjr s ASN 108 CO 0.36 -1.02 0.95 -0.38 -1.51 0.00 0.00 177.10 175.51 1sjr n ILE 109 N -1.35 0.04 0.00 0.60 5.41 -1.21 -4.82 119.36 118.03 1sjr n ILE 109 Ca 0.10 -0.11 0.00 0.00 1.00 0.00 0.00 62.75 63.74 1sjr n ILE 109 Cb 0.52 0.61 0.00 0.00 -0.71 0.00 0.00 39.64 40.06 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 -1.69 0.00 0.06 1.39 4.02 -1.26 -5.08 117.16 114.59 1sjr n TYR 110 Ca 0.03 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.92 1sjr n TYR 110 Cb 0.38 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.70 1sjr n TYR 110 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 1sjr n ASN 111 N -0.78 -0.07 -2.70 7.72 4.13 -1.26 -5.06 115.26 117.24 1sjr n ASN 111 Ca 0.00 0.20 -0.04 0.00 1.68 0.00 0.00 54.58 56.42 1sjr n ASN 111 Cb 0.00 0.17 0.03 0.00 -1.54 0.00 0.00 39.78 38.44 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 -2.89 -3.07 0.04 5.41 0.00 -1.26 -4.89 120.51 113.85 1sjr n ALA 112 Ca 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.06 1sjr n ALA 112 Cb 0.00 -2.65 0.00 0.00 0.00 0.00 0.00 19.45 16.81 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 4.65 1.63 -3.76 0.00 -1.04 -1.02 -3.32 114.28 111.42 1sjr n THR 115 Ca 0.23 -0.41 -0.36 0.00 -2.04 0.00 0.00 64.05 61.47 1sjr n THR 115 Cb 0.07 -1.19 -0.11 0.00 -1.82 0.00 0.00 70.33 67.29 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 0.10 5.17 -0.50 -4.42 2.96 -1.03 -2.22 118.68 118.74 1sjr s LEU 116 Ca 0.62 -2.57 -0.22 0.00 -0.22 0.00 0.00 54.13 51.74 1sjr s LEU 116 Cb -0.69 -1.83 0.04 0.00 0.50 0.00 0.00 46.19 44.22 1sjr s LEU 116 CO 0.57 -0.42 0.76 -0.13 -1.32 0.00 0.00 176.35 175.82 1sjr s ARG 117 N 0.35 3.28 -0.03 1.98 3.00 -0.88 0.25 118.95 126.90 1sjr s ARG 117 Ca 0.14 -0.43 -0.00 0.00 0.00 0.00 0.00 55.73 55.44 1sjr s ARG 117 Cb -0.21 -4.02 -0.04 0.00 0.00 0.00 0.00 34.95 30.68 1sjr s ARG 117 CO -0.04 -1.25 0.03 0.42 0.00 0.00 0.00 175.30 174.47 1sjr s ILE 118 N 3.23 4.43 -0.11 1.52 1.01 -1.26 -0.09 121.20 129.93 1sjr s ILE 118 Ca 0.24 -0.42 -0.30 0.00 0.00 0.00 0.00 60.65 60.18 1sjr s ILE 118 Cb -0.15 -2.96 0.08 0.00 0.01 0.00 0.00 42.46 39.44 1sjr s ILE 118 CO 0.18 0.43 0.74 -1.81 0.00 0.00 0.00 174.94 174.49 1sjr s ASP 119 N -1.43 -0.63 0.13 3.58 1.11 -0.95 -4.88 116.67 113.60 1sjr s ASP 119 Ca 0.19 0.81 -0.31 0.00 0.18 0.00 0.00 52.55 53.42 1sjr s ASP 119 Cb -0.12 0.68 -0.10 0.00 1.07 0.00 0.00 42.92 44.46 1sjr s ASP 119 CO 0.09 -0.49 1.65 -0.36 1.18 0.00 0.00 175.17 177.24 1sjr s PHE 120 N -0.85 2.68 1.14 4.23 0.08 -1.26 0.12 117.98 124.13 1sjr s PHE 120 Ca -0.07 0.39 -0.18 0.00 0.12 0.00 0.00 56.93 57.19 1sjr s PHE 120 Cb -0.01 -4.00 0.15 0.00 -0.57 0.00 0.00 43.02 38.59 1sjr s PHE 120 CO 0.07 -3.88 0.18 0.45 -0.10 0.00 0.00 175.22 171.94 1sjr n SER 121 N 4.81 -2.31 -0.06 1.36 2.88 -0.06 -4.85 113.62 115.39 1sjr n SER 121 Ca 0.15 -0.16 -0.17 0.00 -1.33 0.00 0.00 58.87 57.37 1sjr n SER 121 Cb 0.39 -1.00 -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 1.17 -1.23 0.00 0.00 175.04 174.98 1sjr n LYS 122 N -2.64 0.69 -0.07 -1.46 4.81 -1.26 -4.14 118.16 114.09 1sjr n LYS 122 Ca 0.01 0.19 0.02 0.00 -0.87 0.00 0.00 58.31 57.65 1sjr n LYS 122 Cb 0.61 -1.63 0.05 0.00 0.02 0.00 0.00 35.03 34.09 1sjr n LYS 122 CO 0.00 0.00 0.00 -0.11 1.17 0.00 0.00 177.40 178.46 1sjr n LEU 123 N -3.24 0.75 -1.34 3.14 0.00 -1.26 -4.84 117.00 110.22 1sjr n LEU 123 Ca -0.35 -0.38 -0.14 0.00 0.00 0.00 0.00 56.01 55.14 1sjr n LEU 123 Cb 1.04 -0.13 -0.06 0.00 0.00 0.00 0.00 43.42 44.27 1sjr n LEU 123 CO 0.37 0.17 -0.14 0.35 0.00 0.00 0.00 177.39 178.15 1sjr n THR 124 N -0.13 0.00 -3.64 1.96 -2.24 -1.26 -4.82 114.28 104.15 1sjr n THR 124 Ca 0.04 0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 61.80 1sjr n THR 124 Cb 0.13 -1.44 -0.02 0.00 -2.10 0.00 0.00 70.33 66.91 1sjr n THR 124 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1sjr s SER 125 N -2.27 -0.02 0.38 3.42 0.01 -1.26 -4.83 113.70 109.14 1sjr s SER 125 Ca 0.00 -0.00 0.08 0.00 1.31 0.00 0.00 55.95 57.34 1sjr s SER 125 Cb 0.00 0.02 -0.04 0.00 0.21 0.00 0.00 66.02 66.21 1sjr s SER 125 CO 0.00 -0.04 0.18 -1.48 0.41 0.00 0.00 173.24 172.31 1sjr s LEU 126 N -2.09 3.19 -0.77 2.44 0.05 -1.26 -4.86 118.68 115.39 1sjr s LEU 126 Ca 0.12 -0.92 -0.17 0.00 0.05 0.00 0.00 54.13 53.21 1sjr s LEU 126 Cb -0.00 -1.61 0.16 0.00 -2.05 0.00 0.00 46.19 42.68 1sjr s LEU 126 CO -0.03 -0.45 0.82 0.54 -0.55 0.00 0.00 176.35 176.69 1sjr s ASN 127 N -3.90 6.53 -0.30 1.48 4.22 -1.26 -4.98 114.94 116.73 1sjr s ASN 127 Ca 0.40 -2.12 0.01 0.00 -2.14 0.00 0.00 52.86 49.01 1sjr s ASN 127 Cb 0.00 -2.28 0.09 0.00 1.28 0.00 0.00 41.25 40.34 1sjr s ASN 127 CO 0.23 -0.87 0.05 -0.69 -2.04 0.00 0.00 177.10 173.78 1sjr s VAL 128 N 1.60 1.44 0.00 3.54 1.01 -1.26 -4.92 120.40 121.80 1sjr s VAL 128 Ca 0.19 -1.63 0.20 0.00 0.00 0.00 0.00 61.98 60.74 1sjr s VAL 128 Cb -0.14 -1.99 0.32 0.00 0.00 0.00 0.00 36.38 34.57 1sjr s VAL 128 CO -0.04 -0.51 1.12 0.29 0.00 0.00 0.00 175.10 175.96 1sjr n LYS 129 N 4.63 0.00 -3.59 2.72 4.76 -1.26 -5.03 118.16 120.39 1sjr n LYS 129 Ca -0.02 -1.74 -0.17 0.00 -2.87 0.00 0.00 58.31 53.51 1sjr n LYS 129 Cb 0.43 0.08 -0.07 0.00 -1.84 0.00 0.00 35.03 33.62 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 -0.54 -0.19 2.13 1.51 -1.26 -4.51 117.35 114.49 1sjr s TYR 130 Ca 0.26 0.95 0.00 0.00 -1.01 0.00 0.00 57.07 57.27 1sjr s TYR 130 Cb 0.29 0.32 0.04 0.00 -0.11 0.00 0.00 41.96 42.51 1sjr s TYR 130 CO -0.13 -0.54 -0.08 1.21 -1.11 0.00 0.00 175.55 174.90 1sjr s ASN 131 N -1.13 3.23 0.00 2.29 3.84 0.29 -4.36 114.94 119.10 1sjr s ASN 131 Ca -0.11 -0.83 0.00 0.00 0.21 0.00 0.00 52.86 52.13 1sjr s ASN 131 Cb -0.02 -1.12 0.00 0.00 -0.55 0.00 0.00 41.25 39.56 1sjr s ASN 131 CO 0.08 -0.16 0.00 -0.46 -2.79 0.00 0.00 177.10 173.77 1sjr n ASN 132 N 4.75 0.00 0.00 -4.21 0.23 -1.26 -4.17 115.26 110.60 1sjr n ASN 132 Ca -0.14 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 53.91 1sjr n ASN 132 Cb 0.47 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.17 1sjr n ASN 132 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 1sjr n ASP 133 N 0.00 0.00 0.10 0.53 8.00 -1.26 -4.87 116.55 119.05 1sjr n ASP 133 Ca 0.00 0.00 -0.04 0.00 0.71 0.00 0.00 54.79 55.46 1sjr n ASP 133 Cb 0.00 0.01 0.15 0.00 -0.02 0.00 0.00 41.12 41.26 1sjr n ASP 133 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 1sjr h LYS 134 N 0.00 0.18 -5.82 -1.24 1.79 -1.98 -3.46 116.57 106.04 1sjr h LYS 134 Ca 0.00 -0.12 -0.58 0.00 -2.18 0.00 0.00 60.65 57.77 1sjr h LYS 134 Cb 0.00 0.02 -0.09 0.00 -1.58 0.00 0.00 32.23 30.58 1sjr h LYS 134 CO 0.00 0.71 -0.49 -1.12 -1.08 0.00 0.00 179.45 177.47 1sjr s SER 135 N -6.88 4.36 -0.30 0.86 0.01 -1.26 0.30 113.70 110.78 1sjr s SER 135 Ca -0.03 -1.18 -0.03 0.00 1.31 0.00 0.00 55.95 56.02 1sjr s SER 135 Cb 0.12 -0.30 0.19 0.00 0.21 0.00 0.00 66.02 66.24 1sjr s SER 135 CO 0.78 -0.61 0.72 -0.60 0.41 0.00 0.00 173.24 173.94 1sjr s ARG 136 N -3.92 0.47 -0.28 12.44 6.06 0.17 -4.04 118.95 129.85 1sjr s ARG 136 Ca 0.37 0.76 -0.10 0.00 -2.50 0.00 0.00 55.73 54.26 1sjr s ARG 136 Cb 0.04 0.41 -0.04 0.00 0.06 0.00 0.00 34.95 35.42 1sjr s ARG 136 CO 0.20 -0.57 0.16 0.16 -2.50 0.00 0.00 175.30 172.75 1sjr s ASP 137 N 2.88 5.76 -0.26 -2.12 1.47 -1.26 0.94 116.67 124.08 1sjr s ASP 137 Ca 0.15 -0.11 0.09 0.00 1.18 0.00 0.00 52.55 53.86 1sjr s ASP 137 Cb -0.13 -2.06 0.65 0.00 -0.34 0.00 0.00 42.92 41.04 1sjr s ASP 137 CO -0.20 -0.06 1.62 -1.22 0.68 0.00 0.00 175.17 176.00 1sjr n TYR 138 N 5.02 2.03 -0.06 2.11 4.01 0.46 -4.10 117.16 126.64 1sjr n TYR 138 Ca -0.15 -0.95 -0.07 0.00 -0.16 0.00 0.00 57.90 56.58 1sjr n TYR 138 Cb 0.52 -0.58 -0.08 0.00 -0.31 0.00 0.00 39.34 38.89 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 0.05 0.77 -3.68 -0.72 5.66 -1.00 -4.81 114.28 110.56 1sjr n THR 139 Ca 0.32 -0.41 -0.11 0.00 -3.05 0.00 0.00 64.05 60.80 1sjr n THR 139 Cb 1.20 -0.80 -0.12 0.00 -1.55 0.00 0.00 70.33 69.06 1sjr n THR 139 CO 0.00 0.00 0.00 -0.13 -3.05 0.00 0.00 175.07 171.89 1sjr s ARG 140 N -2.27 0.26 0.06 1.09 0.52 -1.26 -5.02 118.95 112.33 1sjr s ARG 140 Ca -0.10 0.83 0.27 0.00 -0.52 0.00 0.00 55.73 56.21 1sjr s ARG 140 Cb 0.04 0.08 0.92 0.00 0.52 0.00 0.00 34.95 36.51 1sjr s ARG 140 CO 0.41 -0.24 1.74 -0.35 0.02 0.00 0.00 175.30 176.89 1sjr n PRO 141 N 5.03 0.09 -0.59 3.54 -0.04 -1.26 -3.71 135.00 138.06 1sjr n PRO 141 Ca -0.12 0.06 -0.11 0.00 -0.04 0.00 0.00 63.50 63.28 1sjr n PRO 141 Cb 0.51 -1.59 0.08 0.00 -0.04 0.00 0.00 33.50 32.46 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 -1.74 3.40 -4.80 3.54 2.03 -1.26 -4.92 116.55 112.81 1sjr n ASP 142 Ca 0.06 -2.77 -0.38 0.00 0.52 0.00 0.00 54.79 52.22 1sjr n ASP 142 Cb 0.37 -0.67 -0.06 0.00 -0.72 0.00 0.00 41.12 40.04 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 -1.57 4.48 1.21 -2.67 2.01 -1.24 -5.07 118.68 115.82 1sjr s LEU 143 Ca 0.27 1.53 -0.19 0.00 0.01 0.00 0.00 54.13 55.75 1sjr s LEU 143 Cb 0.23 -3.40 0.29 0.00 0.01 0.00 0.00 46.19 43.31 1sjr s LEU 143 CO 0.05 0.13 1.09 -2.16 1.01 0.00 0.00 176.35 176.48 1sjr s PRO 144 N -1.52 -1.26 -0.11 1.29 0.04 -1.26 -4.21 135.00 127.97 1sjr s PRO 144 Ca 0.39 -0.01 0.14 0.00 0.04 0.00 0.00 61.00 61.56 1sjr s PRO 144 Cb -0.20 -1.59 0.60 0.00 0.04 0.00 0.00 34.50 33.35 1sjr s PRO 144 CO 0.23 -3.75 1.46 0.45 0.04 0.00 0.00 177.00 175.44 1sjr n SER 145 N -4.80 4.11 -3.47 6.66 2.88 -1.26 0.10 113.62 117.85 1sjr n SER 145 Ca 0.12 -2.45 -0.22 0.00 -1.33 0.00 0.00 58.87 55.00 1sjr n SER 145 Cb 0.59 -0.55 0.06 0.00 -0.75 0.00 0.00 64.21 63.56 1sjr n SER 145 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1sjr n GLY 146 N 0.86 -0.96 0.00 0.46 0.00 -1.26 -4.83 105.19 99.46 1sjr n GLY 146 Ca 0.21 0.46 0.00 0.00 0.00 0.00 0.00 46.02 46.69 1sjr n GLY 146 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66