#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k83 n ASN 3 N 0.00 0.00 -3.64 4.04 3.02 -1.26 -4.98 115.26 112.44 1k83 n ASN 3 Ca 0.00 0.00 -0.06 0.00 -0.03 0.00 0.00 54.58 54.49 1k83 n ASN 3 Cb 0.00 0.00 -0.07 0.00 -0.61 0.00 0.00 39.78 39.10 1k83 n ASN 3 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1k83 s THR 4 N -2.02 0.00 0.00 3.41 2.01 -1.26 -4.49 115.64 113.28 1k83 s THR 4 Ca 0.00 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.00 1k83 s THR 4 Cb 0.00 -1.00 0.00 0.00 0.01 0.00 0.00 72.50 71.51 1k83 s THR 4 CO 0.00 0.00 0.00 0.18 -0.69 0.00 0.00 174.62 174.11 1k83 n LEU 5 N 1.85 0.45 -4.03 4.42 4.77 -1.26 -4.76 117.00 118.43 1k83 n LEU 5 Ca -0.11 0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 55.79 1k83 n LEU 5 Cb 0.56 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.55 1k83 n LEU 5 CO 0.02 0.07 -0.33 0.12 -1.33 0.00 0.00 177.39 175.95 1k83 s PHE 6 N -1.95 0.39 -0.27 -1.77 5.36 -1.26 -4.62 117.98 113.86 1k83 s PHE 6 Ca 0.00 -0.83 -0.25 0.00 -0.96 0.00 0.00 56.93 54.89 1k83 s PHE 6 Cb 0.00 -0.29 0.10 0.00 -0.34 0.00 0.00 43.02 42.48 1k83 s PHE 6 CO 0.00 -0.33 0.88 0.34 -1.46 0.00 0.00 175.22 174.64 1k83 s ASP 7 N -2.42 -0.60 0.00 6.13 -1.08 -1.24 -2.48 116.67 114.99 1k83 s ASP 7 Ca -0.01 1.15 0.00 0.00 -0.52 0.00 0.00 52.55 53.17 1k83 s ASP 7 Cb 0.02 1.17 0.00 0.00 -1.46 0.00 0.00 42.92 42.65 1k83 s ASP 7 CO -0.07 -0.20 0.00 -0.67 0.52 0.00 0.00 175.17 174.75 1k83 n ASP 8 N 2.44 0.00 -4.39 -0.34 2.03 -1.20 -4.99 116.55 110.09 1k83 n ASP 8 Ca -0.13 0.00 -0.32 0.00 0.52 0.00 0.00 54.79 54.85 1k83 n ASP 8 Cb 0.55 0.00 -0.14 0.00 -0.72 0.00 0.00 41.12 40.81 1k83 n ASP 8 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 1k83 s ILE 9 N -2.00 2.74 0.09 5.18 1.01 -1.26 -0.10 121.20 126.86 1k83 s ILE 9 Ca 0.00 -0.82 0.06 0.00 0.00 0.00 0.00 60.65 59.89 1k83 s ILE 9 Cb 0.00 -2.07 -0.04 0.00 0.01 0.00 0.00 42.46 40.36 1k83 s ILE 9 CO 0.00 0.57 -0.09 -0.36 0.00 0.00 0.00 174.94 175.06 1k83 s PHE 10 N -0.31 2.77 -0.62 3.97 0.40 0.44 -1.63 117.98 123.00 1k83 s PHE 10 Ca 0.02 -0.14 -0.16 0.00 -0.60 0.00 0.00 56.93 56.05 1k83 s PHE 10 Cb -0.13 -1.47 0.14 0.00 0.51 0.00 0.00 43.02 42.08 1k83 s PHE 10 CO 0.03 0.41 0.62 -1.14 0.70 0.00 0.00 175.22 175.84 1k83 s GLN 11 N -2.06 3.15 -0.42 0.44 2.00 0.45 -1.58 119.66 121.63 1k83 s GLN 11 Ca 0.21 -1.78 -0.27 0.00 -2.00 0.00 0.00 55.36 51.52 1k83 s GLN 11 Cb -0.11 -4.34 -0.07 0.00 0.80 0.00 0.00 33.01 29.29 1k83 s GLN 11 CO 0.13 -1.39 2.37 0.28 -0.50 0.00 0.00 175.29 176.18 1k83 n VAL 12 N 5.07 0.03 1.37 1.34 0.31 -0.62 -0.62 118.33 125.21 1k83 n VAL 12 Ca -0.06 -0.71 0.13 0.00 -0.01 0.00 0.00 64.34 63.70 1k83 n VAL 12 Cb 0.42 -2.73 0.43 0.00 -0.91 0.00 0.00 33.84 31.05 1k83 n VAL 12 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1k83 n SER 13 N 14.75 1.55 0.00 4.52 3.41 -0.21 0.13 113.62 137.78 1k83 n SER 13 Ca 0.35 -1.40 0.00 0.00 -0.26 0.00 0.00 58.87 57.56 1k83 n SER 13 Cb 0.52 0.05 0.00 0.00 -0.26 0.00 0.00 64.21 64.52 1k83 n SER 13 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 1k83 n GLU 14 N 0.09 0.00 -3.99 4.33 2.13 -1.18 -4.86 120.64 117.16 1k83 n GLU 14 Ca 0.16 0.00 -0.31 0.00 0.66 0.00 0.00 57.16 57.68 1k83 n GLU 14 Cb 0.38 0.00 -0.16 0.00 0.27 0.00 0.00 31.44 31.94 1k83 n GLU 14 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 1k83 s VAL 15 N -0.56 1.68 -0.24 6.31 1.01 -1.26 -2.10 120.40 125.23 1k83 s VAL 15 Ca 0.00 -1.17 -0.08 0.00 0.00 0.00 0.00 61.98 60.74 1k83 s VAL 15 Cb 0.00 -1.82 -0.03 0.00 0.00 0.00 0.00 36.38 34.53 1k83 s VAL 15 CO 0.00 0.05 0.08 -0.62 0.00 0.00 0.00 175.10 174.61 1k83 s ASP 16 N 1.36 5.29 0.04 3.32 2.15 -0.54 -4.93 116.67 123.36 1k83 s ASP 16 Ca -0.04 -0.15 0.06 0.00 0.43 0.00 0.00 52.55 52.85 1k83 s ASP 16 Cb -0.18 -1.95 -0.24 0.00 -0.30 0.00 0.00 42.92 40.26 1k83 s ASP 16 CO -0.07 -0.01 0.97 1.55 -0.17 0.00 0.00 175.17 177.44 1k83 h PRO 17 N 8.05 0.07 -5.73 4.34 0.13 -1.87 0.63 132.00 137.61 1k83 h PRO 17 Ca -0.38 -0.13 -0.05 0.00 -0.87 0.00 0.00 66.00 64.58 1k83 h PRO 17 Cb 1.18 0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1k83 h PRO 17 CO 0.59 0.88 -0.90 0.41 -0.23 0.00 0.00 178.00 178.75 1k83 n GLY 18 N 1.51 0.02 2.16 1.56 0.00 -1.26 -1.93 105.19 107.25 1k83 n GLY 18 Ca -0.10 0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.06 1k83 n GLY 18 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1k83 n ARG 19 N 1.01 -0.67 -3.18 1.61 5.12 -1.26 -4.86 116.66 114.44 1k83 n ARG 19 Ca -0.01 0.02 -0.22 0.00 -1.93 0.00 0.00 57.85 55.70 1k83 n ARG 19 Cb 0.46 -1.81 0.00 0.00 -1.16 0.00 0.00 32.46 29.95 1k83 n ARG 19 CO 0.00 0.00 0.00 0.71 -1.93 0.00 0.00 177.63 176.41 1k83 s TYR 20 N -0.10 3.26 -0.02 -1.55 4.12 -0.81 -5.03 117.35 117.22 1k83 s TYR 20 Ca 0.00 0.17 0.01 0.00 0.02 0.00 0.00 57.07 57.26 1k83 s TYR 20 Cb 0.00 -2.15 -0.01 0.00 -1.52 0.00 0.00 41.96 38.28 1k83 s TYR 20 CO 0.00 -0.18 0.02 0.09 0.02 0.00 0.00 175.55 175.50 1k83 n ASN 21 N -1.92 1.58 0.00 2.29 3.02 -1.26 -4.73 115.26 114.24 1k83 n ASN 21 Ca -0.00 -0.35 0.00 0.00 -0.03 0.00 0.00 54.58 54.20 1k83 n ASN 21 Cb 0.57 1.01 0.00 0.00 -0.61 0.00 0.00 39.78 40.75 1k83 n ASN 21 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1k83 n LYS 22 N -1.18 2.09 -4.54 3.52 5.02 -1.26 -4.84 118.16 116.97 1k83 n LYS 22 Ca 0.00 -0.11 -0.22 0.00 -2.02 0.00 0.00 58.31 55.96 1k83 n LYS 22 Cb 0.01 -0.47 -0.14 0.00 -0.02 0.00 0.00 35.03 34.40 1k83 n LYS 22 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1k83 s VAL 23 N -0.33 1.14 0.04 -0.18 1.01 -1.26 -0.50 120.40 120.31 1k83 s VAL 23 Ca 0.00 -0.77 0.02 0.00 0.00 0.00 0.00 61.98 61.23 1k83 s VAL 23 Cb 0.00 -0.98 -0.02 0.00 0.00 0.00 0.00 36.38 35.38 1k83 s VAL 23 CO 0.00 0.20 -0.08 0.00 0.00 0.00 0.00 175.10 175.22 1k83 s ARG 25 N -1.44 3.65 -0.01 0.00 3.52 0.22 -1.34 118.95 123.54 1k83 s ARG 25 Ca -0.09 -0.53 -0.02 0.00 -0.13 0.00 0.00 55.73 54.97 1k83 s ARG 25 Cb -0.09 -3.68 -0.04 0.00 -1.56 0.00 0.00 34.95 29.58 1k83 s ARG 25 CO 0.00 -0.33 0.14 0.42 -0.81 0.00 0.00 175.30 174.73 1k83 s ILE 26 N 1.71 5.17 -0.24 4.11 1.01 0.18 -1.46 121.20 131.68 1k83 s ILE 26 Ca 0.06 -0.23 -0.02 0.00 0.00 0.00 0.00 60.65 60.46 1k83 s ILE 26 Cb -0.17 -3.39 0.08 0.00 0.01 0.00 0.00 42.46 38.99 1k83 s ILE 26 CO 0.10 0.35 0.06 -0.70 0.00 0.00 0.00 174.94 174.75 1k83 s GLU 27 N -1.81 0.66 -0.01 2.79 2.12 -0.89 0.35 118.70 121.90 1k83 s GLU 27 Ca 0.25 -0.66 0.07 0.00 0.36 0.00 0.00 54.97 54.99 1k83 s GLU 27 Cb -0.12 -1.99 -0.02 0.00 0.26 0.00 0.00 34.13 32.25 1k83 s GLU 27 CO 0.16 -0.79 -0.22 0.00 -0.54 0.00 0.00 175.26 173.87 1k83 s ALA 28 N 1.79 2.34 0.54 6.30 0.00 -0.56 -1.04 121.76 131.13 1k83 s ALA 28 Ca 0.03 -1.11 -0.07 0.00 0.00 0.00 0.00 51.96 50.81 1k83 s ALA 28 Cb -0.17 -0.66 -0.02 0.00 0.00 0.00 0.00 23.12 22.26 1k83 s ALA 28 CO -0.16 0.54 0.88 0.00 0.00 0.00 0.00 175.76 177.01 1k83 s ALA 29 N -0.69 3.30 -0.03 0.00 0.00 0.21 -2.20 121.76 122.35 1k83 s ALA 29 Ca 0.11 -0.46 -0.14 0.00 0.00 0.00 0.00 51.96 51.47 1k83 s ALA 29 Cb -0.10 -2.71 -0.05 0.00 0.00 0.00 0.00 23.12 20.26 1k83 s ALA 29 CO 0.00 -0.56 0.37 0.45 0.00 0.00 0.00 175.76 176.02 1k83 s SER 30 N -4.18 6.74 0.65 0.00 0.15 -1.13 0.17 113.70 116.10 1k83 s SER 30 Ca 0.51 0.88 -0.15 0.00 0.70 0.00 0.00 55.95 57.89 1k83 s SER 30 Cb -0.11 -2.23 -0.01 0.00 -1.71 0.00 0.00 66.02 61.97 1k83 s SER 30 CO 0.47 0.32 1.09 -0.89 1.20 0.00 0.00 173.24 175.42 1k83 s THR 31 N -0.95 3.50 0.00 6.45 2.01 -0.65 -4.54 115.64 121.46 1k83 s THR 31 Ca 0.22 0.67 0.00 0.00 0.31 0.00 0.00 61.69 62.90 1k83 s THR 31 Cb -0.16 -3.21 0.00 0.00 0.01 0.00 0.00 72.50 69.14 1k83 s THR 31 CO 0.12 -0.45 0.00 0.41 -0.69 0.00 0.00 174.62 174.00 1k83 n THR 32 N -2.40 0.00 -1.63 -0.82 -1.04 -1.26 -4.84 114.28 102.30 1k83 n THR 32 Ca 0.10 0.00 -0.54 0.00 -2.04 0.00 0.00 64.05 61.56 1k83 n THR 32 Cb 0.52 0.00 -0.07 0.00 -1.82 0.00 0.00 70.33 68.97 1k83 n THR 32 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1k83 n GLN 33 N 12.05 1.31 0.00 -2.82 6.02 -1.26 -4.83 117.38 127.85 1k83 n GLN 33 Ca 0.00 0.45 0.06 0.00 -0.01 0.00 0.00 57.00 57.50 1k83 n GLN 33 Cb 0.00 -2.28 0.27 0.00 1.02 0.00 0.00 30.24 29.25 1k83 n GLN 33 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 1k83 n ASP 34 N 6.81 0.00 0.00 1.08 8.00 -1.26 -3.65 116.55 127.53 1k83 n ASP 34 Ca 0.30 0.49 0.00 0.00 0.71 0.00 0.00 54.79 56.29 1k83 n ASP 34 Cb 0.18 -0.50 0.00 0.00 -0.02 0.00 0.00 41.12 40.79 1k83 n ASP 34 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1k83 n GLN 35 N -1.50 0.00 -1.26 -1.24 6.02 -1.26 -4.87 117.38 113.27 1k83 n GLN 35 Ca 0.03 0.14 -0.49 0.00 -0.01 0.00 0.00 57.00 56.67 1k83 n GLN 35 Cb 0.15 -0.78 -0.07 0.00 1.02 0.00 0.00 30.24 30.56 1k83 n GLN 35 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1k83 s LYS 37 N 2.12 2.02 -0.27 0.00 1.02 -1.15 -2.83 119.74 120.66 1k83 s LYS 37 Ca 0.76 -2.25 -0.23 0.00 0.02 0.00 0.00 55.97 54.27 1k83 s LYS 37 Cb -1.08 -0.58 0.07 0.00 -0.52 0.00 0.00 37.83 35.72 1k83 s LYS 37 CO 0.59 -0.54 0.71 -1.17 -0.92 0.00 0.00 175.35 174.01 1k83 s LEU 38 N -3.65 -0.78 -0.13 3.17 2.96 -0.93 -3.33 118.68 115.99 1k83 s LEU 38 Ca 0.21 1.45 -0.00 0.00 -0.22 0.00 0.00 54.13 55.57 1k83 s LEU 38 Cb 0.01 2.43 0.03 0.00 0.50 0.00 0.00 46.19 49.16 1k83 s LEU 38 CO 0.15 -0.25 -0.08 -0.89 -1.32 0.00 0.00 176.35 173.96 1k83 s THR 39 N 0.68 1.14 -0.03 3.68 2.01 -1.12 -1.50 115.64 120.50 1k83 s THR 39 Ca -0.02 -0.42 -0.06 0.00 0.31 0.00 0.00 61.69 61.50 1k83 s THR 39 Cb -0.05 -1.17 0.01 0.00 0.01 0.00 0.00 72.50 71.30 1k83 s THR 39 CO -0.04 0.34 0.14 -0.22 -0.69 0.00 0.00 174.62 174.15 1k83 s LEU 40 N 1.65 1.50 0.04 4.42 2.96 0.15 -1.40 118.68 128.01 1k83 s LEU 40 Ca 0.04 0.07 -0.18 0.00 -0.22 0.00 0.00 54.13 53.84 1k83 s LEU 40 Cb -0.13 0.57 -0.06 0.00 0.50 0.00 0.00 46.19 47.07 1k83 s LEU 40 CO -0.09 -0.19 0.53 -1.81 -1.32 0.00 0.00 176.35 173.47 1k83 s ASP 41 N -0.57 6.99 -0.11 3.68 1.01 -0.73 0.51 116.67 127.45 1k83 s ASP 41 Ca -0.07 1.17 -0.05 0.00 0.71 0.00 0.00 52.55 54.31 1k83 s ASP 41 Cb -0.04 -2.33 0.05 0.00 1.01 0.00 0.00 42.92 41.61 1k83 s ASP 41 CO 0.01 0.26 0.25 -0.63 0.21 0.00 0.00 175.17 175.27 1k83 s ILE 42 N -0.97 -0.09 -0.87 0.77 1.01 -0.45 -4.82 121.20 115.79 1k83 s ILE 42 Ca 0.28 0.17 -0.25 0.00 0.00 0.00 0.00 60.65 60.84 1k83 s ILE 42 Cb -0.19 -0.39 -0.10 0.00 0.01 0.00 0.00 42.46 41.79 1k83 s ILE 42 CO 0.17 0.07 2.19 0.21 0.00 0.00 0.00 174.94 177.58 1k83 s ASN 43 N 1.41 4.41 0.23 3.58 3.84 -1.26 -2.36 114.94 124.79 1k83 s ASN 43 Ca -0.08 -0.37 -0.06 0.00 0.21 0.00 0.00 52.86 52.56 1k83 s ASN 43 Cb -0.11 -2.56 0.39 0.00 -0.55 0.00 0.00 41.25 38.43 1k83 s ASN 43 CO -0.09 -3.45 1.74 0.58 -2.79 0.00 0.00 177.10 173.10 1k83 h VAL 44 N 7.40 0.71 -1.31 -5.21 2.07 -1.05 -1.79 116.25 117.06 1k83 h VAL 44 Ca 0.05 -0.15 0.39 0.00 0.82 0.00 0.00 66.70 67.80 1k83 h VAL 44 Cb 1.00 0.22 -0.09 0.00 -1.52 0.00 0.00 31.29 30.89 1k83 h VAL 44 CO 1.10 0.08 0.89 -0.33 0.02 0.00 0.00 177.57 179.33 1k83 h GLU 45 N 0.45 0.13 -0.02 1.57 5.08 -1.86 0.23 114.58 120.15 1k83 h GLU 45 Ca 0.38 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.73 1k83 h GLU 45 Cb 0.53 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.75 1k83 h GLU 45 CO -0.36 0.08 -0.17 1.28 -1.00 0.00 0.00 179.01 178.84 1k83 n LEU 46 N -4.44 2.38 -2.69 1.33 4.77 -0.69 -4.72 117.00 112.95 1k83 n LEU 46 Ca 0.32 -0.90 -0.06 0.00 -0.03 0.00 0.00 56.01 55.34 1k83 n LEU 46 Cb 1.33 0.00 0.08 0.00 -2.33 0.00 0.00 43.42 42.50 1k83 n LEU 46 CO 0.30 0.42 0.51 0.33 -1.33 0.00 0.00 177.39 177.63 1k83 n PHE 47 N 0.67 -1.41 -1.15 -1.77 7.35 -0.12 -4.95 117.46 116.08 1k83 n PHE 47 Ca 0.11 -1.12 -0.37 0.00 -0.76 0.00 0.00 57.45 55.31 1k83 n PHE 47 Cb 0.48 1.28 0.05 0.00 0.35 0.00 0.00 39.48 41.64 1k83 n PHE 47 CO 0.00 0.00 0.00 -2.30 -0.76 0.00 0.00 176.76 173.70 1k83 n PRO 48 N 1.15 0.09 -3.80 -7.13 -0.02 -0.12 -4.63 135.00 120.53 1k83 n PRO 48 Ca 0.02 0.05 -0.12 0.00 -2.02 0.00 0.00 63.50 61.42 1k83 n PRO 48 Cb 0.70 -1.37 -0.10 0.00 -0.02 0.00 0.00 33.50 32.71 1k83 n PRO 48 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1k83 s VAL 49 N -2.00 0.05 0.22 -1.45 1.01 -1.26 -5.05 120.40 111.91 1k83 s VAL 49 Ca 0.55 -0.39 0.02 0.00 0.00 0.00 0.00 61.98 62.17 1k83 s VAL 49 Cb -0.34 -0.48 -0.05 0.00 0.00 0.00 0.00 36.38 35.51 1k83 s VAL 49 CO 0.68 -0.21 0.04 0.00 0.00 0.00 0.00 175.10 175.60 1k83 s ALA 50 N -0.87 1.57 1.17 5.51 0.00 -1.26 -4.99 121.76 122.89 1k83 s ALA 50 Ca -0.10 -1.73 -0.17 0.00 0.00 0.00 0.00 51.96 49.97 1k83 s ALA 50 Cb -0.05 0.73 0.19 0.00 0.00 0.00 0.00 23.12 24.00 1k83 s ALA 50 CO 0.02 -0.36 0.38 0.00 0.00 0.00 0.00 175.76 175.80 1k83 n ALA 51 N -0.36 -3.67 -1.23 0.00 0.00 -1.26 -2.87 120.51 111.13 1k83 n ALA 51 Ca -0.04 -1.32 0.00 0.00 0.00 0.00 0.00 53.44 52.08 1k83 n ALA 51 Cb 0.64 -1.59 0.00 0.00 0.00 0.00 0.00 19.45 18.50 1k83 n ALA 51 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1k83 n GLN 52 N -3.22 -1.34 -1.91 0.00 6.02 0.34 -4.89 117.38 112.38 1k83 n GLN 52 Ca 0.02 0.00 -0.30 0.00 -0.01 0.00 0.00 57.00 56.72 1k83 n GLN 52 Cb 0.57 -3.74 0.16 0.00 1.02 0.00 0.00 30.24 28.26 1k83 n GLN 52 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1k83 s ASP 53 N -1.11 3.42 -0.30 1.08 1.01 -1.14 -4.77 116.67 114.86 1k83 s ASP 53 Ca 0.00 0.39 -0.03 0.00 0.71 0.00 0.00 52.55 53.62 1k83 s ASP 53 Cb 0.00 -0.55 0.11 0.00 1.01 0.00 0.00 42.92 43.49 1k83 s ASP 53 CO 0.00 -2.55 0.15 -0.94 0.21 0.00 0.00 175.17 172.03 1k83 s SER 54 N -4.81 3.42 0.14 0.27 1.04 -1.25 -1.59 113.70 110.92 1k83 s SER 54 Ca 0.71 -1.43 -0.03 0.00 0.48 0.00 0.00 55.95 55.68 1k83 s SER 54 Cb -0.06 -0.34 -0.05 0.00 0.10 0.00 0.00 66.02 65.67 1k83 s SER 54 CO 0.52 -0.42 0.36 -0.76 0.98 0.00 0.00 173.24 173.92 1k83 s LEU 55 N 1.94 4.27 -0.25 2.42 1.43 -0.62 -4.83 118.68 123.04 1k83 s LEU 55 Ca 0.10 0.51 -0.08 0.00 -1.03 0.00 0.00 54.13 53.63 1k83 s LEU 55 Cb -0.17 -3.24 -0.04 0.00 0.03 0.00 0.00 46.19 42.77 1k83 s LEU 55 CO -0.31 0.05 0.10 -0.89 0.23 0.00 0.00 176.35 175.53 1k83 s THR 56 N -1.68 4.66 -0.28 5.49 2.01 -1.24 0.17 115.64 124.75 1k83 s THR 56 Ca 0.40 -0.06 -0.01 0.00 0.31 0.00 0.00 61.69 62.33 1k83 s THR 56 Cb -0.12 -3.18 0.05 0.00 0.01 0.00 0.00 72.50 69.26 1k83 s THR 56 CO 0.26 0.33 -0.03 -0.69 -0.69 0.00 0.00 174.62 173.80 1k83 s VAL 57 N 1.50 2.84 -0.15 3.82 1.01 0.86 -3.15 120.40 127.13 1k83 s VAL 57 Ca 0.06 -1.36 0.00 0.00 0.00 0.00 0.00 61.98 60.69 1k83 s VAL 57 Cb -0.15 -2.60 -0.00 0.00 0.00 0.00 0.00 36.38 33.62 1k83 s VAL 57 CO 0.05 -0.04 -0.15 -0.89 0.00 0.00 0.00 175.10 174.07 1k83 s THR 58 N 1.24 2.72 0.00 3.92 2.01 -0.50 -3.27 115.64 121.76 1k83 s THR 58 Ca -0.05 -0.76 0.00 0.00 0.31 0.00 0.00 61.69 61.19 1k83 s THR 58 Cb -0.19 -2.14 0.00 0.00 0.01 0.00 0.00 72.50 70.18 1k83 s THR 58 CO -0.02 0.52 0.00 -0.38 -0.69 0.00 0.00 174.62 174.05 1k83 n ILE 59 N 3.90 0.00 -1.93 1.82 5.41 -1.03 -0.75 119.36 126.78 1k83 n ILE 59 Ca -0.19 0.00 0.05 0.00 1.00 0.00 0.00 62.75 63.61 1k83 n ILE 59 Cb 0.52 -0.08 -0.01 0.00 -0.71 0.00 0.00 39.64 39.36 1k83 n ILE 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1k83 n ALA 60 N -0.84 -0.96 -1.87 -1.39 0.00 -1.26 -4.09 120.51 110.10 1k83 n ALA 60 Ca 0.00 0.12 -0.05 0.00 0.00 0.00 0.00 53.44 53.51 1k83 n ALA 60 Cb 0.00 -0.33 -0.05 0.00 0.00 0.00 0.00 19.45 19.07 1k83 n ALA 60 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1k83 n SER 61 N -1.68 -0.67 -2.44 0.00 3.41 -1.26 -3.14 113.62 107.84 1k83 n SER 61 Ca 0.00 -1.44 -0.11 0.00 -0.26 0.00 0.00 58.87 57.06 1k83 n SER 61 Cb 0.17 0.20 -0.03 0.00 -0.26 0.00 0.00 64.21 64.29 1k83 n SER 61 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1k83 n SER 62 N 0.00 -0.91 -1.04 4.04 3.41 -1.26 -4.85 113.62 113.01 1k83 n SER 62 Ca -0.19 -2.37 0.00 0.00 -0.26 0.00 0.00 58.87 56.05 1k83 n SER 62 Cb 0.57 1.73 0.00 0.00 -0.26 0.00 0.00 64.21 66.25 1k83 n SER 62 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1k83 n LEU 63 N 0.00 0.00 -0.11 1.04 4.77 -1.26 -4.94 117.00 116.50 1k83 n LEU 63 Ca 0.01 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.99 1k83 n LEU 63 Cb 0.42 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.51 1k83 n LEU 63 CO 0.21 0.00 0.06 0.41 -1.33 0.00 0.00 177.39 176.73 1k83 n THR 76 N -0.23 0.00 -1.52 -5.08 -1.04 -1.26 -4.78 114.28 100.38 1k83 n THR 76 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1k83 n THR 76 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 1k83 n THR 76 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1k83 n ARG 77 N 0.00 -4.36 -0.42 -2.82 1.74 -1.26 -4.90 116.66 104.65 1k83 n ARG 77 Ca 0.00 3.24 -0.29 0.00 -0.77 0.00 0.00 57.85 60.03 1k83 n ARG 77 Cb 0.47 -3.64 0.26 0.00 -1.02 0.00 0.00 32.46 28.53 1k83 n ARG 77 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 1k83 n SER 78 N -0.83 -2.69 -4.81 0.55 3.41 -1.26 -4.99 113.62 102.99 1k83 n SER 78 Ca 0.00 -0.41 -0.34 0.00 -0.26 0.00 0.00 58.87 57.86 1k83 n SER 78 Cb 0.00 -1.12 -0.07 0.00 -0.26 0.00 0.00 64.21 62.77 1k83 n SER 78 CO 0.00 0.00 0.00 0.86 -0.16 0.00 0.00 175.04 175.74 1k83 s TRP 79 N -2.27 3.39 0.19 7.33 -0.00 -1.26 -5.12 118.94 121.20 1k83 s TRP 79 Ca 0.65 0.30 0.08 0.00 -0.00 0.00 0.00 56.10 57.14 1k83 s TRP 79 Cb -0.19 -1.81 -0.04 0.00 -0.00 0.00 0.00 33.47 31.43 1k83 s TRP 79 CO 0.62 0.60 -0.06 1.03 -0.00 0.00 0.00 176.95 179.14 1k83 s ARG 80 N -1.52 2.19 0.00 5.86 0.52 -1.26 -5.12 118.95 119.62 1k83 s ARG 80 Ca 0.21 -1.24 0.00 0.00 -0.52 0.00 0.00 55.73 54.18 1k83 s ARG 80 Cb -0.12 -2.22 0.00 0.00 0.52 0.00 0.00 34.95 33.13 1k83 s ARG 80 CO 0.11 0.43 0.00 -2.30 0.02 0.00 0.00 175.30 173.56 1k83 n PRO 81 N -0.13 0.00 0.00 3.54 -0.02 -1.26 -5.02 135.00 132.10 1k83 n PRO 81 Ca -0.10 0.15 0.00 0.00 -2.02 0.00 0.00 63.50 61.53 1k83 n PRO 81 Cb 0.56 -0.55 0.00 0.00 -0.02 0.00 0.00 33.50 33.49 1k83 n PRO 81 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1k83 n PRO 82 N -1.78 1.26 0.00 0.52 -0.04 -1.26 -4.60 135.00 129.10 1k83 n PRO 82 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1k83 n PRO 82 Cb 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.46 1k83 n PRO 82 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1k83 n GLN 83 N 0.00 0.00 0.21 0.54 6.02 -1.26 -3.43 117.38 119.46 1k83 n GLN 83 Ca 0.00 0.00 0.09 0.00 -0.01 0.00 0.00 57.00 57.08 1k83 n GLN 83 Cb 0.00 0.00 0.40 0.00 1.02 0.00 0.00 30.24 31.66 1k83 n GLN 83 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1k83 h ALA 84 N 0.00 0.99 0.00 -1.58 0.00 -1.94 -2.55 119.26 114.18 1k83 h ALA 84 Ca 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1k83 h ALA 84 Cb 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1k83 h ALA 84 CO 0.00 0.33 0.00 0.41 0.00 0.00 0.00 179.25 179.99 1k83 n GLY 85 N 0.26 -0.84 0.09 0.00 0.00 -1.22 -1.01 105.19 102.46 1k83 n GLY 85 Ca 0.00 -0.03 -0.09 0.00 0.00 0.00 0.00 46.02 45.90 1k83 n GLY 85 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1k83 n ASP 86 N -1.51 1.06 0.00 1.61 -0.08 -0.98 -4.91 116.55 111.73 1k83 n ASP 86 Ca 0.02 -0.02 0.00 0.00 -1.51 0.00 0.00 54.79 53.29 1k83 n ASP 86 Cb 0.12 0.73 0.00 0.00 2.34 0.00 0.00 41.12 44.31 1k83 n ASP 86 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 1k83 n ARG 87 N -2.70 0.00 -0.60 -0.67 1.74 -0.18 -4.84 116.66 109.41 1k83 n ARG 87 Ca -0.29 0.00 -0.06 0.00 -0.77 0.00 0.00 57.85 56.73 1k83 n ARG 87 Cb 1.03 0.00 -0.02 0.00 -1.02 0.00 0.00 32.46 32.45 1k83 n ARG 87 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 1k83 n SER 88 N 0.00 -0.21 -2.41 0.55 3.41 -1.19 -4.71 113.62 109.06 1k83 n SER 88 Ca 0.00 -1.00 -0.11 0.00 -0.26 0.00 0.00 58.87 57.50 1k83 n SER 88 Cb 0.00 -0.14 -0.08 0.00 -0.26 0.00 0.00 64.21 63.72 1k83 n SER 88 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1k83 n LEU 89 N 4.13 3.61 -0.79 1.04 4.77 -1.26 -4.63 117.00 123.88 1k83 n LEU 89 Ca 0.07 -2.31 0.00 0.00 -0.03 0.00 0.00 56.01 53.74 1k83 n LEU 89 Cb 0.15 -0.92 0.00 0.00 -2.33 0.00 0.00 43.42 40.32 1k83 n LEU 89 CO 0.33 0.81 0.01 0.00 -1.33 0.00 0.00 177.39 177.21 1k83 n ALA 90 N 3.01 1.32 -3.84 -1.18 0.00 -1.26 -4.22 120.51 114.35 1k83 n ALA 90 Ca 0.31 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.45 1k83 n ALA 90 Cb 0.47 -1.00 -0.14 0.00 0.00 0.00 0.00 19.45 18.78 1k83 n ALA 90 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 1k83 s ASP 91 N 0.16 4.09 -0.18 0.00 -4.77 -1.26 -4.89 116.67 109.81 1k83 s ASP 91 Ca 0.00 -2.50 0.11 0.00 -3.30 0.00 0.00 52.55 46.86 1k83 s ASP 91 Cb 0.00 -1.28 0.65 0.00 -1.09 0.00 0.00 42.92 41.20 1k83 s ASP 91 CO 0.00 -0.30 1.49 0.47 0.70 0.00 0.00 175.17 177.53 1k83 n ASP 92 N 3.75 4.70 -2.94 2.11 8.00 -1.26 -4.91 116.55 126.00 1k83 n ASP 92 Ca 0.05 -2.71 -0.12 0.00 0.71 0.00 0.00 54.79 52.72 1k83 n ASP 92 Cb 0.36 -0.64 -0.03 0.00 -0.02 0.00 0.00 41.12 40.80 1k83 n ASP 92 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 1k83 n TYR 93 N 0.52 0.39 0.00 1.24 4.02 -1.26 -4.93 117.16 117.15 1k83 n TYR 93 Ca 0.22 -0.99 0.00 0.00 -0.01 0.00 0.00 57.90 57.12 1k83 n TYR 93 Cb 0.99 -0.11 0.00 0.00 -0.02 0.00 0.00 39.34 40.20 1k83 n TYR 93 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 176.86 175.60 1k83 n ASP 94 N -1.24 0.00 -4.74 7.72 8.00 -0.18 -4.98 116.55 121.12 1k83 n ASP 94 Ca -0.07 0.00 -0.41 0.00 0.71 0.00 0.00 54.79 55.02 1k83 n ASP 94 Cb 0.25 -0.21 -0.04 0.00 -0.02 0.00 0.00 41.12 41.11 1k83 n ASP 94 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 1k83 s TYR 95 N -0.75 3.45 -0.25 1.24 5.04 -0.89 -4.92 117.35 120.27 1k83 s TYR 95 Ca 0.00 1.49 -0.02 0.00 -2.44 0.00 0.00 57.07 56.10 1k83 s TYR 95 Cb 0.00 -3.41 0.13 0.00 0.35 0.00 0.00 41.96 39.04 1k83 s TYR 95 CO 0.00 -1.08 0.37 0.08 -1.34 0.00 0.00 175.55 173.58 1k83 s VAL 96 N -0.32 -0.58 0.33 3.14 1.01 -1.25 -1.44 120.40 121.29 1k83 s VAL 96 Ca 0.51 -0.13 0.03 0.00 0.00 0.00 0.00 61.98 62.39 1k83 s VAL 96 Cb -0.33 -0.84 0.03 0.00 0.00 0.00 0.00 36.38 35.24 1k83 s VAL 96 CO 0.38 -0.17 0.26 0.23 0.00 0.00 0.00 175.10 175.80 1k83 n MET 97 N 5.36 0.98 -3.15 2.72 2.81 -0.31 -4.95 117.12 120.59 1k83 n MET 97 Ca -0.03 -2.07 0.05 0.00 -1.81 0.00 0.00 57.70 53.84 1k83 n MET 97 Cb 0.50 0.20 -0.00 0.00 -0.71 0.00 0.00 33.22 33.20 1k83 n MET 97 CO 0.00 0.00 0.00 -0.47 1.51 0.00 0.00 175.97 177.01 1k83 s TYR 98 N -1.61 -1.33 0.00 2.03 5.04 -1.26 -2.19 117.35 118.02 1k83 s TYR 98 Ca 0.20 0.98 0.00 0.00 -2.44 0.00 0.00 57.07 55.81 1k83 s TYR 98 Cb -0.02 0.30 0.00 0.00 0.35 0.00 0.00 41.96 42.60 1k83 s TYR 98 CO 0.13 -0.76 0.00 0.41 -1.34 0.00 0.00 175.55 173.99 1k83 n GLY 99 N 5.36 7.24 3.39 8.97 0.00 -1.00 -4.65 105.19 124.49 1k83 n GLY 99 Ca 0.03 -2.06 -0.28 0.00 0.00 0.00 0.00 46.02 43.71 1k83 n GLY 99 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1k83 s THR 100 N 0.71 2.22 -0.48 2.61 2.01 0.82 -3.43 115.64 120.10 1k83 s THR 100 Ca 0.00 -1.80 -0.20 0.00 0.31 0.00 0.00 61.69 60.00 1k83 s THR 100 Cb 0.00 -1.98 0.04 0.00 0.01 0.00 0.00 72.50 70.57 1k83 s THR 100 CO 0.00 0.02 0.65 0.00 -0.69 0.00 0.00 174.62 174.60 1k83 s ALA 101 N -1.22 3.35 -0.31 7.40 0.00 -1.18 0.16 121.76 129.96 1k83 s ALA 101 Ca 0.15 -1.47 0.09 0.00 0.00 0.00 0.00 51.96 50.73 1k83 s ALA 101 Cb -0.09 -3.35 0.57 0.00 0.00 0.00 0.00 23.12 20.25 1k83 s ALA 101 CO 0.07 -1.93 1.58 2.48 0.00 0.00 0.00 175.76 177.96 1k83 n TYR 102 N 6.29 1.60 -1.59 0.00 0.18 -1.05 -4.18 117.16 118.40 1k83 n TYR 102 Ca -0.04 -1.49 -0.64 0.00 1.88 0.00 0.00 57.90 57.62 1k83 n TYR 102 Cb 0.47 -0.57 -0.10 0.00 -0.38 0.00 0.00 39.34 38.75 1k83 n TYR 102 CO 0.00 0.00 0.00 1.63 -2.08 0.00 0.00 176.86 176.41 1k83 n LYS 103 N -0.92 0.19 -3.36 -3.48 5.02 -0.83 -4.75 118.16 110.03 1k83 n LYS 103 Ca 0.37 0.07 -0.46 0.00 -2.02 0.00 0.00 58.31 56.27 1k83 n LYS 103 Cb 1.18 -1.62 -0.02 0.00 -0.02 0.00 0.00 35.03 34.55 1k83 n LYS 103 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 1k83 s PHE 104 N 4.11 3.88 -0.41 2.13 0.40 -1.26 -4.76 117.98 122.07 1k83 s PHE 104 Ca 1.09 -2.24 -0.20 0.00 -0.60 0.00 0.00 56.93 54.98 1k83 s PHE 104 Cb -1.42 -3.78 -0.21 0.00 0.51 0.00 0.00 43.02 38.13 1k83 s PHE 104 CO 0.74 -0.97 1.53 0.39 0.70 0.00 0.00 175.22 177.62 1k83 n GLU 105 N 3.57 0.03 -0.60 0.44 4.71 -1.25 -4.63 120.64 122.91 1k83 n GLU 105 Ca 0.16 -0.95 0.47 0.00 -0.01 0.00 0.00 57.16 56.84 1k83 n GLU 105 Cb 0.44 -2.57 0.77 0.00 -1.01 0.00 0.00 31.44 29.07 1k83 n GLU 105 CO 0.00 0.00 0.00 0.93 0.09 0.00 0.00 177.13 178.15 1k83 h GLU 106 N 10.04 0.02 -4.85 3.49 5.08 -1.86 -3.44 114.58 123.06 1k83 h GLU 106 Ca 0.08 -0.00 -0.25 0.00 -1.00 0.00 0.00 59.36 58.19 1k83 h GLU 106 Cb 0.84 -0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.03 1k83 h GLU 106 CO 1.25 0.01 -0.35 0.28 -1.00 0.00 0.00 179.01 179.20 1k83 n VAL 107 N -4.18 -0.55 -1.81 3.13 0.31 -1.26 -4.80 118.33 109.17 1k83 n VAL 107 Ca 0.41 0.00 -0.42 0.00 -0.01 0.00 0.00 64.34 64.32 1k83 n VAL 107 Cb 1.79 -1.28 -0.03 0.00 -0.91 0.00 0.00 33.84 33.41 1k83 n VAL 107 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 1k83 s SER 108 N -2.32 6.49 0.45 4.52 1.04 -0.97 -4.64 113.70 118.26 1k83 s SER 108 Ca 0.18 2.70 0.00 0.00 0.48 0.00 0.00 55.95 59.31 1k83 s SER 108 Cb -0.10 -2.58 0.00 0.00 0.10 0.00 0.00 66.02 63.44 1k83 s SER 108 CO 0.22 -0.93 0.00 0.29 0.98 0.00 0.00 173.24 173.80 1k83 n LYS 109 N 4.84 0.00 -0.00 4.02 5.02 -1.26 -0.91 118.16 129.86 1k83 n LYS 109 Ca 0.16 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.45 1k83 n LYS 109 Cb 0.38 0.00 -0.00 0.00 -0.02 0.00 0.00 35.03 35.39 1k83 n LYS 109 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1k83 n ASP 110 N 5.31 0.28 -4.89 4.39 8.00 -1.26 -5.04 116.55 123.34 1k83 n ASP 110 Ca 0.00 -0.48 -0.34 0.00 0.71 0.00 0.00 54.79 54.68 1k83 n ASP 110 Cb 0.00 1.00 -0.05 0.00 -0.02 0.00 0.00 41.12 42.05 1k83 n ASP 110 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1k83 s LEU 111 N -2.07 4.37 -0.44 0.64 1.43 -0.09 -4.88 118.68 117.64 1k83 s LEU 111 Ca 0.00 0.53 -0.07 0.00 -1.03 0.00 0.00 54.13 53.56 1k83 s LEU 111 Cb 0.00 -2.66 0.11 0.00 0.03 0.00 0.00 46.19 43.67 1k83 s LEU 111 CO 0.01 0.25 0.29 -0.63 0.23 0.00 0.00 176.35 176.50 1k83 s ILE 112 N -1.30 3.92 -0.08 -0.59 1.01 0.09 -2.29 121.20 121.95 1k83 s ILE 112 Ca 0.27 -1.81 -0.16 0.00 0.00 0.00 0.00 60.65 58.95 1k83 s ILE 112 Cb -0.13 -3.58 -0.05 0.00 0.01 0.00 0.00 42.46 38.71 1k83 s ILE 112 CO 0.16 -0.71 0.42 0.00 0.00 0.00 0.00 174.94 174.82 1k83 s ALA 113 N 1.30 3.58 0.21 9.38 0.00 -1.26 -3.17 121.76 131.80 1k83 s ALA 113 Ca 0.06 -0.24 0.11 0.00 0.00 0.00 0.00 51.96 51.90 1k83 s ALA 113 Cb -0.25 -2.51 -0.05 0.00 0.00 0.00 0.00 23.12 20.32 1k83 s ALA 113 CO -0.01 0.21 -0.23 0.14 0.00 0.00 0.00 175.76 175.86 1k83 s VAL 114 N -0.08 2.37 0.03 0.00 -7.23 -0.32 -2.65 120.40 112.51 1k83 s VAL 114 Ca 0.24 -2.08 0.08 0.00 -1.81 0.00 0.00 61.98 58.40 1k83 s VAL 114 Cb -0.15 -2.15 -0.03 0.00 0.56 0.00 0.00 36.38 34.61 1k83 s VAL 114 CO 0.11 -0.16 -0.22 -0.31 -0.31 0.00 0.00 175.10 174.21 1k83 s TYR 115 N -1.79 2.45 0.05 2.82 1.51 -1.26 -2.04 117.35 119.09 1k83 s TYR 115 Ca 0.22 -0.33 0.05 0.00 -1.01 0.00 0.00 57.07 56.00 1k83 s TYR 115 Cb -0.07 -1.45 -0.02 0.00 -0.11 0.00 0.00 41.96 40.30 1k83 s TYR 115 CO 0.11 0.17 -0.14 0.71 -1.11 0.00 0.00 175.55 175.28 1k83 s TYR 116 N -0.83 1.22 -0.21 2.71 1.51 -0.20 -1.96 117.35 119.60 1k83 s TYR 116 Ca 0.13 -0.38 0.00 0.00 -1.01 0.00 0.00 57.07 55.81 1k83 s TYR 116 Cb -0.10 -0.72 0.05 0.00 -0.11 0.00 0.00 41.96 41.08 1k83 s TYR 116 CO 0.03 0.04 -0.06 0.45 -1.11 0.00 0.00 175.55 174.90 1k83 s SER 117 N -1.28 3.45 -1.11 2.29 0.15 0.12 -1.40 113.70 115.93 1k83 s SER 117 Ca 0.01 -0.97 -0.09 0.00 0.70 0.00 0.00 55.95 55.60 1k83 s SER 117 Cb -0.08 -1.09 0.28 0.00 -1.71 0.00 0.00 66.02 63.42 1k83 s SER 117 CO 0.01 -0.21 1.11 -0.36 1.20 0.00 0.00 173.24 174.99 1k83 s PHE 118 N 1.48 4.28 -1.25 3.44 0.40 0.45 -0.12 117.98 126.65 1k83 s PHE 118 Ca -0.03 -2.71 -0.12 0.00 -0.60 0.00 0.00 56.93 53.47 1k83 s PHE 118 Cb -0.17 -3.82 0.10 0.00 0.51 0.00 0.00 43.02 39.64 1k83 s PHE 118 CO -0.07 -0.94 0.46 0.41 0.70 0.00 0.00 175.22 175.78 1k83 n GLY 119 N 2.67 -0.47 0.00 4.36 0.00 -1.26 -0.50 105.19 109.99 1k83 n GLY 119 Ca 0.24 0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.33 1k83 n GLY 119 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1k83 n GLY 120 N -1.07 1.03 3.66 -0.02 0.00 -1.26 -5.06 105.19 102.47 1k83 n GLY 120 Ca 0.02 -0.27 -0.42 0.00 0.00 0.00 0.00 46.02 45.36 1k83 n GLY 120 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1k83 s LEU 121 N 0.00 4.14 0.27 0.99 1.43 0.34 -5.03 118.68 120.82 1k83 s LEU 121 Ca 0.00 1.26 0.03 0.00 -1.03 0.00 0.00 54.13 54.39 1k83 s LEU 121 Cb 0.00 -3.37 -0.03 0.00 0.03 0.00 0.00 46.19 42.82 1k83 s LEU 121 CO 0.00 -0.52 0.41 -0.76 0.23 0.00 0.00 176.35 175.71 1k83 s LEU 122 N 2.64 4.22 -0.09 1.79 1.43 -1.26 0.17 118.68 127.58 1k83 s LEU 122 Ca 0.41 0.21 -0.13 0.00 -1.03 0.00 0.00 54.13 53.58 1k83 s LEU 122 Cb -0.16 -3.02 0.03 0.00 0.03 0.00 0.00 46.19 43.08 1k83 s LEU 122 CO 0.10 -0.13 0.34 -0.32 0.23 0.00 0.00 176.35 176.57 1k83 s MET 123 N -4.01 0.49 -0.15 1.70 -2.45 -0.49 -1.77 119.30 112.62 1k83 s MET 123 Ca 0.36 0.27 -0.04 0.00 -1.25 0.00 0.00 55.69 55.03 1k83 s MET 123 Cb -0.09 0.23 0.07 0.00 1.25 0.00 0.00 34.83 36.29 1k83 s MET 123 CO 0.31 -0.09 0.25 0.50 1.05 0.00 0.00 175.02 177.03 1k83 s ARG 124 N -0.29 0.16 0.01 4.11 3.52 -0.50 -1.03 118.95 124.92 1k83 s ARG 124 Ca -0.04 0.58 -0.03 0.00 -0.13 0.00 0.00 55.73 56.10 1k83 s ARG 124 Cb -0.03 -0.39 -0.04 0.00 -1.56 0.00 0.00 34.95 32.93 1k83 s ARG 124 CO 0.02 -0.40 0.21 -0.51 -0.81 0.00 0.00 175.30 173.80 1k83 s LEU 125 N 2.39 4.36 -0.33 -0.88 1.43 -0.87 -2.78 118.68 122.00 1k83 s LEU 125 Ca 0.04 0.38 -0.01 0.00 -1.03 0.00 0.00 54.13 53.50 1k83 s LEU 125 Cb -0.13 -2.70 0.11 0.00 0.03 0.00 0.00 46.19 43.49 1k83 s LEU 125 CO -0.09 0.24 0.14 -0.70 0.23 0.00 0.00 176.35 176.16 1k83 s GLU 126 N -2.03 0.65 0.00 1.70 2.12 -1.21 -1.18 118.70 118.75 1k83 s GLU 126 Ca 0.29 -1.12 0.00 0.00 0.36 0.00 0.00 54.97 54.50 1k83 s GLU 126 Cb -0.13 -1.75 0.00 0.00 0.26 0.00 0.00 34.13 32.51 1k83 s GLU 126 CO 0.20 -1.05 0.00 0.41 -0.54 0.00 0.00 175.26 174.28 1k83 n GLY 127 N 4.65 4.24 0.00 -1.50 0.00 -1.19 -2.91 105.19 108.48 1k83 n GLY 127 Ca 0.00 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.49 1k83 n GLY 127 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1k83 n ASN 128 N 0.00 0.00 -0.15 1.61 2.85 -1.26 -0.73 115.26 117.57 1k83 n ASN 128 Ca 0.00 0.00 0.14 0.00 -0.11 0.00 0.00 54.58 54.61 1k83 n ASN 128 Cb 0.00 0.00 0.56 0.00 1.24 0.00 0.00 39.78 41.58 1k83 n ASN 128 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1k83 n TYR 129 N 0.00 0.00 1.80 1.20 0.18 -1.26 -3.85 117.16 115.22 1k83 n TYR 129 Ca 0.00 0.00 0.06 0.00 1.88 0.00 0.00 57.90 59.84 1k83 n TYR 129 Cb 0.00 -0.16 0.38 0.00 -0.38 0.00 0.00 39.34 39.18 1k83 n TYR 129 CO 0.00 0.00 0.00 0.54 -2.08 0.00 0.00 176.86 175.32 1k83 n ARG 130 N -0.86 0.90 0.33 -3.48 1.74 -1.26 -4.01 116.66 110.02 1k83 n ARG 130 Ca 0.14 0.00 0.16 0.00 -0.77 0.00 0.00 57.85 57.38 1k83 n ARG 130 Cb 0.29 -1.22 0.86 0.00 -1.02 0.00 0.00 32.46 31.37 1k83 n ARG 130 CO 0.00 0.00 0.00 -0.91 -1.52 0.00 0.00 177.63 175.20 1k83 h ASN 131 N 0.00 0.00 0.00 0.55 2.35 -1.95 0.32 115.58 116.86 1k83 h ASN 131 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1k83 h ASN 131 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 1k83 h ASN 131 CO 0.00 0.00 -0.09 0.18 -1.65 0.00 0.00 177.43 175.87 1k83 n LEU 132 N -2.94 0.85 0.00 1.61 4.77 -1.26 -4.89 117.00 115.15 1k83 n LEU 132 Ca -0.02 -1.12 0.00 0.00 -0.03 0.00 0.00 56.01 54.84 1k83 n LEU 132 Cb 0.36 -0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.39 1k83 n LEU 132 CO 0.15 0.27 0.00 0.59 -1.33 0.00 0.00 177.39 177.07 1k83 n ASN 133 N -0.32 0.00 -4.91 -1.43 3.02 0.11 -5.04 115.26 106.70 1k83 n ASN 133 Ca 0.02 0.16 -0.28 0.00 -0.03 0.00 0.00 54.58 54.45 1k83 n ASN 133 Cb 0.48 -0.32 0.08 0.00 -0.61 0.00 0.00 39.78 39.41 1k83 n ASN 133 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 1k83 s ASN 134 N -2.60 4.66 0.66 6.41 0.01 -1.10 -4.83 114.94 118.15 1k83 s ASN 134 Ca 0.00 0.71 -0.02 0.00 -0.71 0.00 0.00 52.86 52.84 1k83 s ASN 134 Cb 0.00 -1.27 0.08 0.00 0.41 0.00 0.00 41.25 40.47 1k83 s ASN 134 CO 0.00 -1.78 0.93 -0.76 -1.51 0.00 0.00 177.10 173.98 1k83 s LEU 135 N -5.47 3.03 0.00 0.60 1.43 -1.26 -4.98 118.68 112.03 1k83 s LEU 135 Ca 0.61 0.02 0.02 0.00 -1.03 0.00 0.00 54.13 53.75 1k83 s LEU 135 Cb -0.11 -2.64 0.06 0.00 0.03 0.00 0.00 46.19 43.53 1k83 s LEU 135 CO 0.48 -1.56 1.02 1.17 0.23 0.00 0.00 176.35 177.69 1k83 n LYS 136 N -2.72 2.74 -4.39 1.70 4.81 -1.26 -5.02 118.16 114.03 1k83 n LYS 136 Ca 0.10 -1.55 -0.28 0.00 -0.87 0.00 0.00 58.31 55.72 1k83 n LYS 136 Cb 0.60 -1.05 -0.13 0.00 0.02 0.00 0.00 35.03 34.47 1k83 n LYS 136 CO 0.00 0.00 0.00 -0.65 1.17 0.00 0.00 177.40 177.92 1k83 s GLN 137 N -0.95 1.40 0.00 1.64 -0.21 -1.26 -4.89 119.66 115.39 1k83 s GLN 137 Ca 0.05 -1.37 0.00 0.00 0.02 0.00 0.00 55.36 54.05 1k83 s GLN 137 Cb 0.02 -1.84 0.00 0.00 1.00 0.00 0.00 33.01 32.20 1k83 s GLN 137 CO 0.03 0.43 0.00 -1.91 -2.12 0.00 0.00 175.29 171.72 1k83 n GLU 138 N 0.78 0.00 0.00 2.91 2.13 -1.26 -4.07 120.64 121.13 1k83 n GLU 138 Ca -0.17 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.65 1k83 n GLU 138 Cb 0.54 -0.28 0.00 0.00 0.27 0.00 0.00 31.44 31.97 1k83 n GLU 138 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 1k83 n ASN 139 N 0.00 0.00 -3.63 4.31 3.02 -1.26 -3.13 115.26 114.56 1k83 n ASN 139 Ca 0.00 0.00 -0.05 0.00 -0.03 0.00 0.00 54.58 54.50 1k83 n ASN 139 Cb 0.00 0.00 -0.07 0.00 -0.61 0.00 0.00 39.78 39.10 1k83 n ASN 139 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1k83 s ALA 140 N 0.00 -2.02 0.39 5.41 0.00 -1.22 -4.88 121.76 119.45 1k83 s ALA 140 Ca 0.00 2.36 0.05 0.00 0.00 0.00 0.00 51.96 54.36 1k83 s ALA 140 Cb 0.00 -1.55 -0.00 0.00 0.00 0.00 0.00 23.12 21.57 1k83 s ALA 140 CO 0.00 -0.44 0.56 0.71 0.00 0.00 0.00 175.76 176.59 1k83 s TYR 141 N 1.71 3.08 -0.17 0.00 1.51 -1.19 -2.38 117.35 119.91 1k83 s TYR 141 Ca -0.09 -0.11 -0.04 0.00 -1.01 0.00 0.00 57.07 55.82 1k83 s TYR 141 Cb -0.05 -2.19 0.06 0.00 -0.11 0.00 0.00 41.96 39.67 1k83 s TYR 141 CO -0.19 -0.23 0.07 -1.17 -1.11 0.00 0.00 175.55 172.93 1k83 s LEU 142 N -4.34 0.65 -0.08 -1.29 2.96 -0.93 -4.29 118.68 111.35 1k83 s LEU 142 Ca 0.48 -0.67 0.02 0.00 -0.22 0.00 0.00 54.13 53.74 1k83 s LEU 142 Cb -0.10 -0.37 -0.02 0.00 0.50 0.00 0.00 46.19 46.20 1k83 s LEU 142 CO 0.34 -0.33 -0.12 -0.76 -1.32 0.00 0.00 176.35 174.16 1k83 s LEU 143 N 2.03 2.83 0.00 -0.68 1.43 0.07 -1.16 118.68 123.21 1k83 s LEU 143 Ca 0.01 -0.20 0.01 0.00 -1.03 0.00 0.00 54.13 52.93 1k83 s LEU 143 Cb -0.16 -1.60 -0.01 0.00 0.03 0.00 0.00 46.19 44.45 1k83 s LEU 143 CO -0.08 0.29 -0.05 -0.63 0.23 0.00 0.00 176.35 176.11 1k83 s ILE 144 N -0.40 0.38 0.01 -0.59 1.01 -0.52 -1.41 121.20 119.67 1k83 s ILE 144 Ca 0.05 -0.27 0.03 0.00 0.00 0.00 0.00 60.65 60.45 1k83 s ILE 144 Cb -0.12 -0.33 -0.01 0.00 0.01 0.00 0.00 42.46 42.00 1k83 s ILE 144 CO 0.02 0.06 -0.08 0.00 0.00 0.00 0.00 174.94 174.94 1k83 s ARG 145 N -0.24 0.64 0.00 2.79 1.70 -1.19 -1.01 118.95 121.64 1k83 s ARG 145 Ca 0.01 -0.39 0.00 0.00 -0.47 0.00 0.00 55.73 54.88 1k83 s ARG 145 Cb -0.03 -0.60 0.00 0.00 -0.57 0.00 0.00 34.95 33.76 1k83 s ARG 145 CO -0.00 0.16 0.00 0.54 -1.08 0.00 0.00 175.30 174.92