#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k83 h ASN 2 N 0.00 0.00 -2.64 3.17 2.35 -2.12 -3.44 115.58 112.90 1k83 h ASN 2 Ca 0.00 0.00 -0.53 0.00 -0.55 0.00 0.00 56.30 55.22 1k83 h ASN 2 Cb 0.00 0.00 0.03 0.00 0.05 0.00 0.00 38.32 38.40 1k83 h ASN 2 CO 0.00 0.12 1.04 0.00 -1.65 0.00 0.00 177.43 176.94 1k83 s ALA 3 N -4.14 3.71 0.60 -0.83 0.00 -1.26 -5.00 121.76 114.84 1k83 s ALA 3 Ca -0.03 1.28 -0.14 0.00 0.00 0.00 0.00 51.96 53.07 1k83 s ALA 3 Cb 0.13 -3.72 -0.04 0.00 0.00 0.00 0.00 23.12 19.49 1k83 s ALA 3 CO 0.59 -1.15 1.03 -1.25 0.00 0.00 0.00 175.76 174.98 1k83 s PRO 4 N 2.71 3.43 0.31 0.00 0.04 -1.26 -4.97 135.00 135.27 1k83 s PRO 4 Ca 0.76 0.99 -0.30 0.00 0.04 0.00 0.00 61.00 62.50 1k83 s PRO 4 Cb -0.42 -2.06 -0.12 0.00 0.04 0.00 0.00 34.50 31.95 1k83 s PRO 4 CO 0.34 -0.70 1.54 -0.25 0.04 0.00 0.00 177.00 177.97 1k83 n ASP 5 N -2.34 3.70 0.17 6.66 8.00 -1.26 -4.89 116.55 126.60 1k83 n ASP 5 Ca 0.07 1.17 0.15 0.00 0.71 0.00 0.00 54.79 56.89 1k83 n ASP 5 Cb 0.54 -1.58 0.74 0.00 -0.02 0.00 0.00 41.12 40.79 1k83 n ASP 5 CO 0.00 0.00 0.00 0.03 -0.39 0.00 0.00 177.20 176.84 1k83 h ARG 6 N 4.21 0.00 0.00 -1.24 2.47 -2.05 -1.35 114.38 116.42 1k83 h ARG 6 Ca -0.48 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.24 1k83 h ARG 6 Cb 1.24 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.56 1k83 h ARG 6 CO 0.75 0.00 0.00 0.27 0.56 0.00 0.00 179.97 181.55 1k83 h PHE 7 N 0.00 0.00 0.00 3.04 -5.15 -1.97 -2.79 116.94 110.07 1k83 h PHE 7 Ca 0.10 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.87 1k83 h PHE 7 Cb 0.45 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.62 1k83 h PHE 7 CO 0.00 0.00 0.00 0.39 -2.00 0.00 0.00 178.31 176.70 1k83 n GLU 8 N -2.50 0.51 0.03 6.09 1.02 -0.51 -0.45 120.64 124.83 1k83 n GLU 8 Ca 0.01 0.00 0.05 0.00 -0.02 0.00 0.00 57.16 57.20 1k83 n GLU 8 Cb 0.22 -1.22 -0.08 0.00 -0.02 0.00 0.00 31.44 30.34 1k83 n GLU 8 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1k83 n LEU 9 N -0.72 0.59 0.00 -4.62 4.77 -1.05 -4.50 117.00 111.47 1k83 n LEU 9 Ca 0.05 0.24 0.00 0.00 -0.03 0.00 0.00 56.01 56.28 1k83 n LEU 9 Cb 0.02 0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.17 1k83 n LEU 9 CO 0.04 0.03 0.01 2.22 -1.33 0.00 0.00 177.39 178.37 1k83 n PHE 10 N -2.67 0.00 -3.76 -1.77 1.16 -0.86 -4.19 117.46 105.37 1k83 n PHE 10 Ca -0.07 0.00 -0.37 0.00 -1.87 0.00 0.00 57.45 55.14 1k83 n PHE 10 Cb 0.71 0.00 -0.13 0.00 -1.61 0.00 0.00 39.48 38.46 1k83 n PHE 10 CO 0.00 0.00 0.00 -0.51 -1.87 0.00 0.00 176.76 174.38 1k83 s LEU 11 N -0.81 3.61 0.04 5.98 1.02 0.40 -4.96 118.68 123.95 1k83 s LEU 11 Ca 0.00 -0.47 -0.30 0.00 0.02 0.00 0.00 54.13 53.38 1k83 s LEU 11 Cb 0.00 -1.89 -0.08 0.00 0.02 0.00 0.00 46.19 44.24 1k83 s LEU 11 CO 0.00 -0.11 1.74 -0.76 0.02 0.00 0.00 176.35 177.24 1k83 s LEU 12 N 1.55 4.37 0.00 1.79 1.02 -1.26 -4.62 118.68 121.54 1k83 s LEU 12 Ca 0.05 2.49 -0.10 0.00 0.02 0.00 0.00 54.13 56.59 1k83 s LEU 12 Cb -0.16 -3.55 0.14 0.00 0.02 0.00 0.00 46.19 42.64 1k83 s LEU 12 CO 0.03 -0.95 0.56 0.61 0.02 0.00 0.00 176.35 176.62 1k83 n GLY 13 N 4.18 -2.33 3.75 -3.19 0.00 -1.26 -4.94 105.19 101.39 1k83 n GLY 13 Ca 0.17 -1.52 -0.30 0.00 0.00 0.00 0.00 46.02 44.38 1k83 n GLY 13 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1k83 s GLU 14 N -4.25 1.61 0.00 1.61 2.12 -1.26 -3.29 118.70 115.24 1k83 s GLU 14 Ca 0.35 0.83 0.00 0.00 0.36 0.00 0.00 54.97 56.51 1k83 s GLU 14 Cb -0.03 -1.85 0.00 0.00 0.26 0.00 0.00 34.13 32.51 1k83 s GLU 14 CO 0.26 -2.00 0.00 0.41 -0.54 0.00 0.00 175.26 173.39 1k83 n GLY 15 N -1.37 0.03 3.80 -1.50 0.00 -1.26 -4.93 105.19 99.96 1k83 n GLY 15 Ca 0.07 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.73 1k83 n GLY 15 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1k83 s GLU 16 N -0.94 3.64 0.27 1.61 2.02 -1.21 -5.10 118.70 118.98 1k83 s GLU 16 Ca 0.00 -0.20 0.06 0.00 0.02 0.00 0.00 54.97 54.85 1k83 s GLU 16 Cb 0.00 -3.22 -0.03 0.00 0.10 0.00 0.00 34.13 30.99 1k83 s GLU 16 CO 0.00 0.60 0.33 -1.12 0.02 0.00 0.00 175.26 175.10 1k83 s SER 17 N -0.53 5.97 0.30 -0.19 0.01 -1.26 -4.85 113.70 113.15 1k83 s SER 17 Ca 0.12 -0.10 0.12 0.00 1.31 0.00 0.00 55.95 57.39 1k83 s SER 17 Cb -0.12 -1.56 0.44 0.00 0.21 0.00 0.00 66.02 64.99 1k83 s SER 17 CO 0.02 -0.15 1.65 0.11 0.41 0.00 0.00 173.24 175.28 1k83 h LYS 18 N 1.21 0.00 -4.56 12.44 1.79 -1.90 -3.38 116.57 122.16 1k83 h LYS 18 Ca -0.49 0.00 -0.29 0.00 -2.18 0.00 0.00 60.65 57.68 1k83 h LYS 18 Cb 1.24 0.00 -0.23 0.00 -1.58 0.00 0.00 32.23 31.66 1k83 h LYS 18 CO 0.59 0.56 -0.74 -0.51 -1.08 0.00 0.00 179.45 178.27 1k83 s LEU 19 N -7.60 2.21 -0.18 2.94 1.43 -1.26 -1.45 118.68 114.77 1k83 s LEU 19 Ca -0.01 -0.46 -0.03 0.00 -1.03 0.00 0.00 54.13 52.60 1k83 s LEU 19 Cb 0.13 -0.21 0.06 0.00 0.03 0.00 0.00 46.19 46.20 1k83 s LEU 19 CO 0.75 -0.14 0.03 -0.54 0.23 0.00 0.00 176.35 176.67 1k83 s LYS 20 N -1.30 0.71 -0.09 1.70 1.02 -0.76 -4.93 119.74 116.08 1k83 s LYS 20 Ca -0.07 -0.40 -0.10 0.00 0.02 0.00 0.00 55.97 55.43 1k83 s LYS 20 Cb -0.08 -2.02 -0.05 0.00 -0.52 0.00 0.00 37.83 35.16 1k83 s LYS 20 CO 0.00 -0.60 0.22 0.42 -0.92 0.00 0.00 175.35 174.47 1k83 s ILE 21 N 1.85 5.36 -0.00 2.17 1.01 -1.26 -0.72 121.20 129.60 1k83 s ILE 21 Ca -0.01 0.40 -0.01 0.00 0.00 0.00 0.00 60.65 61.04 1k83 s ILE 21 Cb -0.17 -3.50 -0.00 0.00 0.01 0.00 0.00 42.46 38.80 1k83 s ILE 21 CO -0.08 0.59 0.02 -1.81 0.00 0.00 0.00 174.94 173.66 1k83 s ASP 22 N -0.88 0.03 -0.26 3.58 1.01 -0.55 -4.96 116.67 114.65 1k83 s ASP 22 Ca 0.17 -0.07 -0.27 0.00 0.71 0.00 0.00 52.55 53.08 1k83 s ASP 22 Cb -0.13 0.07 0.01 0.00 1.01 0.00 0.00 42.92 43.87 1k83 s ASP 22 CO 0.06 -0.08 0.97 -2.16 0.21 0.00 0.00 175.17 174.16 1k83 s PRO 23 N -0.35 4.16 0.15 8.23 0.04 -1.26 0.74 135.00 146.71 1k83 s PRO 23 Ca -0.04 1.10 -0.30 0.00 0.04 0.00 0.00 61.00 61.80 1k83 s PRO 23 Cb -0.03 -3.67 -0.08 0.00 0.04 0.00 0.00 34.50 30.76 1k83 s PRO 23 CO -0.00 -0.67 1.25 0.34 0.04 0.00 0.00 177.00 177.96 1k83 s ASP 24 N 1.38 7.00 -0.09 6.66 -1.08 -0.38 -4.90 116.67 125.27 1k83 s ASP 24 Ca 0.41 2.24 0.11 0.00 -0.52 0.00 0.00 52.55 54.79 1k83 s ASP 24 Cb -0.14 -2.60 -0.24 0.00 -1.46 0.00 0.00 42.92 38.48 1k83 s ASP 24 CO 0.09 -0.47 0.49 0.41 0.52 0.00 0.00 175.17 176.21 1k83 n THR 25 N 3.07 1.59 -0.32 1.71 -1.04 -1.26 -4.23 114.28 113.79 1k83 n THR 25 Ca 0.07 -0.78 0.14 0.00 -2.04 0.00 0.00 64.05 61.43 1k83 n THR 25 Cb 0.44 -1.02 0.37 0.00 -1.82 0.00 0.00 70.33 68.29 1k83 n THR 25 CO 0.00 0.00 0.00 0.11 -0.64 0.00 0.00 175.07 174.54 1k83 h LYS 26 N 0.01 0.67 -4.45 -2.82 1.79 -1.98 -3.43 116.57 106.37 1k83 h LYS 26 Ca -0.36 -0.04 -0.18 0.00 -2.18 0.00 0.00 60.65 57.89 1k83 h LYS 26 Cb 2.06 -0.15 -0.16 0.00 -1.58 0.00 0.00 32.23 32.40 1k83 h LYS 26 CO 0.07 0.44 -0.69 0.00 -1.08 0.00 0.00 179.45 178.19 1k83 s ALA 27 N -5.74 0.72 0.39 3.86 0.00 -1.26 -5.16 121.76 114.56 1k83 s ALA 27 Ca -0.10 -1.22 -0.09 0.00 0.00 0.00 0.00 51.96 50.55 1k83 s ALA 27 Cb 0.24 0.20 -0.06 0.00 0.00 0.00 0.00 23.12 23.50 1k83 s ALA 27 CO 0.80 -0.27 0.73 -1.25 0.00 0.00 0.00 175.76 175.76 1k83 s PRO 28 N -3.62 3.73 -0.55 0.00 0.04 -1.26 -3.99 135.00 129.36 1k83 s PRO 28 Ca 0.07 0.36 0.00 0.00 0.04 0.00 0.00 61.00 61.47 1k83 s PRO 28 Cb 0.05 -2.44 0.00 0.00 0.04 0.00 0.00 34.50 32.14 1k83 s PRO 28 CO -0.06 0.00 0.00 0.09 0.04 0.00 0.00 177.00 177.07 1k83 n ASN 29 N -1.29 -4.84 -4.56 6.66 3.02 -1.26 -4.71 115.26 108.28 1k83 n ASN 29 Ca 0.01 0.13 -0.31 0.00 -0.03 0.00 0.00 54.58 54.38 1k83 n ASN 29 Cb 0.54 -2.80 -0.11 0.00 -0.61 0.00 0.00 39.78 36.80 1k83 n ASN 29 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1k83 s ALA 30 N -1.79 2.90 0.08 5.41 0.00 -1.26 -2.62 121.76 124.50 1k83 s ALA 30 Ca 0.00 -1.12 0.01 0.00 0.00 0.00 0.00 51.96 50.86 1k83 s ALA 30 Cb 0.00 -0.98 -0.04 0.00 0.00 0.00 0.00 23.12 22.10 1k83 s ALA 30 CO 0.00 0.61 -0.06 0.08 0.00 0.00 0.00 175.76 176.39 1k83 s VAL 31 N -1.03 0.59 -0.21 0.00 1.01 -0.18 -1.25 120.40 119.33 1k83 s VAL 31 Ca 0.18 -1.84 -0.00 0.00 0.00 0.00 0.00 61.98 60.32 1k83 s VAL 31 Cb -0.11 -1.56 0.05 0.00 0.00 0.00 0.00 36.38 34.76 1k83 s VAL 31 CO 0.09 -0.86 -0.05 -0.69 0.00 0.00 0.00 175.10 173.59 1k83 s VAL 32 N -3.49 1.31 -0.16 2.92 1.01 0.23 -1.30 120.40 120.92 1k83 s VAL 32 Ca 0.09 -0.95 -0.08 0.00 0.00 0.00 0.00 61.98 61.04 1k83 s VAL 32 Cb 0.04 -1.56 -0.04 0.00 0.00 0.00 0.00 36.38 34.82 1k83 s VAL 32 CO -0.05 -0.01 0.12 -0.63 0.00 0.00 0.00 175.10 174.52 1k83 s ILE 33 N 1.51 5.31 -0.38 2.22 1.01 0.10 -1.48 121.20 129.51 1k83 s ILE 33 Ca -0.03 0.15 -0.10 0.00 0.00 0.00 0.00 60.65 60.67 1k83 s ILE 33 Cb -0.17 -3.37 0.04 0.00 0.01 0.00 0.00 42.46 38.97 1k83 s ILE 33 CO -0.07 0.52 0.20 -0.89 0.00 0.00 0.00 174.94 174.70 1k83 s THR 34 N -0.25 4.35 -0.17 2.92 2.01 0.10 -0.49 115.64 124.11 1k83 s THR 34 Ca 0.10 -1.02 -0.21 0.00 0.31 0.00 0.00 61.69 60.88 1k83 s THR 34 Cb -0.12 -3.48 -0.03 0.00 0.01 0.00 0.00 72.50 68.89 1k83 s THR 34 CO 0.01 -0.28 0.61 -0.36 -0.69 0.00 0.00 174.62 173.91 1k83 s PHE 35 N 1.50 3.42 -0.11 4.92 0.40 -0.70 -1.83 117.98 125.58 1k83 s PHE 35 Ca 0.01 0.95 -0.06 0.00 -0.60 0.00 0.00 56.93 57.24 1k83 s PHE 35 Cb -0.20 -2.76 -0.04 0.00 0.51 0.00 0.00 43.02 40.54 1k83 s PHE 35 CO 0.05 -0.09 0.11 -1.21 0.70 0.00 0.00 175.22 174.78 1k83 s GLU 36 N 1.58 3.33 -1.02 0.44 0.41 -0.53 -2.34 118.70 120.57 1k83 s GLU 36 Ca 0.29 -0.20 -0.01 0.00 -0.41 0.00 0.00 54.97 54.63 1k83 s GLU 36 Cb -0.16 -3.09 0.00 0.00 -1.78 0.00 0.00 34.13 29.10 1k83 s GLU 36 CO 0.11 0.76 0.86 1.63 -0.49 0.00 0.00 175.26 178.13 1k83 n LYS 37 N 2.01 -5.69 -3.74 1.61 4.76 -0.49 -4.81 118.16 111.80 1k83 n LYS 37 Ca -0.20 0.70 -0.12 0.00 -2.87 0.00 0.00 58.31 55.82 1k83 n LYS 37 Cb 0.55 -5.28 -0.07 0.00 -1.84 0.00 0.00 35.03 28.38 1k83 n LYS 37 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 1k83 s GLU 38 N -5.31 0.80 0.00 1.97 0.41 -1.26 -4.61 118.70 110.70 1k83 s GLU 38 Ca 0.10 -0.41 0.00 0.00 -0.41 0.00 0.00 54.97 54.24 1k83 s GLU 38 Cb -0.04 0.35 0.00 0.00 -1.78 0.00 0.00 34.13 32.66 1k83 s GLU 38 CO 0.60 -0.25 0.00 -0.40 -0.49 0.00 0.00 175.26 174.72 1k83 n ASP 39 N 0.72 0.16 0.28 -0.19 5.68 -1.26 -2.47 116.55 119.46 1k83 n ASP 39 Ca -0.19 0.00 0.16 0.00 -0.50 0.00 0.00 54.79 54.25 1k83 n ASP 39 Cb 0.59 0.00 0.83 0.00 -1.14 0.00 0.00 41.12 41.40 1k83 n ASP 39 CO 0.00 0.00 0.00 0.45 -1.33 0.00 0.00 177.20 176.32 1k83 h HIS 40 N 0.00 0.00 -0.70 2.11 3.86 -1.98 -2.07 115.15 116.37 1k83 h HIS 40 Ca 0.00 0.00 -0.06 0.00 -1.16 0.00 0.00 60.37 59.15 1k83 h HIS 40 Cb 0.00 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 28.44 1k83 h HIS 40 CO 0.00 0.00 0.19 1.15 0.86 0.00 0.00 177.93 180.13 1k83 h THR 41 N 0.00 1.26 0.00 2.45 2.02 -2.01 -2.94 112.91 113.69 1k83 h THR 41 Ca 0.00 -0.94 -0.25 0.00 0.77 0.00 0.00 66.41 66.00 1k83 h THR 41 Cb 0.31 0.51 -0.05 0.00 -1.74 0.00 0.00 68.15 67.19 1k83 h THR 41 CO 0.00 0.36 -2.15 -0.11 0.37 0.00 0.00 175.52 173.99 1k83 n LEU 42 N -4.24 0.13 0.33 2.58 7.94 -0.92 -4.23 117.00 118.59 1k83 n LEU 42 Ca 0.05 0.06 -0.13 0.00 -1.11 0.00 0.00 56.01 54.88 1k83 n LEU 42 Cb 0.25 0.31 -0.06 0.00 0.53 0.00 0.00 43.42 44.44 1k83 n LEU 42 CO 0.42 0.33 0.41 1.23 -1.11 0.00 0.00 177.39 178.66 1k83 h GLY 43 N 3.95 -0.90 2.00 -3.96 0.00 -1.40 -1.43 103.07 101.33 1k83 h GLY 43 Ca -0.35 0.33 -0.00 0.00 0.00 0.00 0.00 47.33 47.30 1k83 h GLY 43 CO 0.03 -0.33 -0.02 -0.57 0.00 0.00 0.00 176.54 175.65 1k83 h ASN 44 N -1.05 0.00 0.00 0.19 -1.24 -1.77 -0.65 115.58 111.05 1k83 h ASN 44 Ca -0.09 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.92 1k83 h ASN 44 Cb 0.66 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.71 1k83 h ASN 44 CO 0.14 0.02 0.00 -0.11 -1.29 0.00 0.00 177.43 176.20 1k83 n LEU 45 N -4.38 0.52 -0.10 0.34 7.94 -1.20 -0.23 117.00 119.89 1k83 n LEU 45 Ca -0.03 0.57 0.27 0.00 -1.11 0.00 0.00 56.01 55.71 1k83 n LEU 45 Cb 0.11 -0.23 0.67 0.00 0.53 0.00 0.00 43.42 44.50 1k83 n LEU 45 CO 0.33 -0.23 1.24 0.40 -1.11 0.00 0.00 177.39 178.02 1k83 h ILE 46 N 0.00 0.28 0.28 1.96 2.04 -1.23 0.20 117.51 121.05 1k83 h ILE 46 Ca 0.00 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.85 1k83 h ILE 46 Cb 0.00 0.42 0.00 0.00 -0.74 0.00 0.00 36.82 36.50 1k83 h ILE 46 CO 0.00 0.00 -0.13 -0.09 0.00 0.00 0.00 178.15 177.93 1k83 h ARG 47 N 0.00 -0.36 -0.55 2.37 1.12 -1.10 -1.82 114.38 114.04 1k83 h ARG 47 Ca 0.37 0.02 0.11 0.00 -1.11 0.00 0.00 59.98 59.38 1k83 h ARG 47 Cb 1.87 0.08 -0.09 0.00 -0.01 0.00 0.00 29.97 31.83 1k83 h ARG 47 CO -0.00 -0.07 0.02 0.00 -3.11 0.00 0.00 179.97 176.81 1k83 h ALA 48 N -0.71 0.55 -0.16 2.80 0.00 0.24 -1.00 119.26 120.99 1k83 h ALA 48 Ca -0.04 0.16 -0.13 0.00 0.00 0.00 0.00 54.91 54.90 1k83 h ALA 48 Cb 0.46 0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 1k83 h ALA 48 CO 0.06 -0.37 -0.47 0.93 0.00 0.00 0.00 179.25 179.39 1k83 h GLU 49 N 0.14 0.40 0.00 0.00 4.39 -1.28 -2.58 114.58 115.65 1k83 h GLU 49 Ca 0.28 -0.22 -0.00 0.00 0.34 0.00 0.00 59.36 59.76 1k83 h GLU 49 Cb 0.44 0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 29.10 1k83 h GLU 49 CO -0.45 0.79 -0.00 -0.07 -1.16 0.00 0.00 179.01 178.12 1k83 h LEU 50 N 0.32 0.00 0.00 1.33 3.38 -0.30 -2.26 115.31 117.78 1k83 h LEU 50 Ca 0.02 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.80 1k83 h LEU 50 Cb 0.96 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.68 1k83 h LEU 50 CO 0.08 0.00 -1.09 0.25 0.09 0.00 0.00 178.44 177.77 1k83 h LEU 51 N 0.00 0.00 -1.03 1.67 5.85 -0.95 -3.28 115.31 117.58 1k83 h LEU 51 Ca -0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1k83 h LEU 51 Cb 0.12 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.15 1k83 h LEU 51 CO 0.00 0.79 0.00 0.78 -0.34 0.00 0.00 178.44 179.67 1k83 h ASN 52 N 0.00 0.00 -3.28 1.25 2.35 -1.41 -3.42 115.58 111.08 1k83 h ASN 52 Ca -0.09 0.00 -0.54 0.00 -0.55 0.00 0.00 56.30 55.12 1k83 h ASN 52 Cb 1.68 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 40.04 1k83 h ASN 52 CO 0.09 0.00 0.50 -0.62 -1.65 0.00 0.00 177.43 175.75 1k83 s ASP 53 N -4.60 7.22 0.20 5.81 -1.08 -1.24 -4.94 116.67 118.04 1k83 s ASP 53 Ca 0.03 1.78 0.13 0.00 -0.52 0.00 0.00 52.55 53.96 1k83 s ASP 53 Cb 0.09 -2.57 -0.05 0.00 -1.46 0.00 0.00 42.92 38.93 1k83 s ASP 53 CO 0.41 -0.40 1.32 0.03 0.52 0.00 0.00 175.17 177.05 1k83 h ARG 54 N 6.93 0.00 -0.02 4.34 3.08 -1.90 -3.19 114.38 123.62 1k83 h ARG 54 Ca -0.39 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.66 1k83 h ARG 54 Cb 1.20 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.25 1k83 h ARG 54 CO 0.80 0.64 0.00 1.63 -1.07 0.00 0.00 179.97 181.97 1k83 n LYS 55 N -3.23 1.06 -3.36 0.04 5.02 -1.26 -4.67 118.16 111.76 1k83 n LYS 55 Ca -0.00 -0.10 -0.41 0.00 -2.02 0.00 0.00 58.31 55.78 1k83 n LYS 55 Cb 0.82 -1.19 -0.09 0.00 -0.02 0.00 0.00 35.03 34.55 1k83 n LYS 55 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1k83 s VAL 56 N -1.97 5.13 -0.16 -0.18 1.01 -1.21 -1.34 120.40 121.68 1k83 s VAL 56 Ca 0.18 0.16 0.16 0.00 0.00 0.00 0.00 61.98 62.48 1k83 s VAL 56 Cb 0.08 -3.85 0.02 0.00 0.00 0.00 0.00 36.38 32.64 1k83 s VAL 56 CO 0.14 -0.10 1.30 -0.07 0.00 0.00 0.00 175.10 176.36 1k83 h LEU 57 N 8.82 0.00 -7.00 3.92 3.38 -0.71 -3.47 115.31 120.25 1k83 h LEU 57 Ca -0.29 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.67 1k83 h LEU 57 Cb 1.14 0.00 -0.22 0.00 0.09 0.00 0.00 40.66 41.67 1k83 h LEU 57 CO 0.71 0.49 0.14 0.12 0.09 0.00 0.00 178.44 179.99 1k83 s PHE 58 N -2.97 -0.84 -0.22 1.13 5.36 -0.45 -4.91 117.98 115.09 1k83 s PHE 58 Ca 0.02 1.89 -0.07 0.00 -0.96 0.00 0.00 56.93 57.82 1k83 s PHE 58 Cb 0.08 0.39 0.10 0.00 -0.34 0.00 0.00 43.02 43.25 1k83 s PHE 58 CO 0.76 -0.41 0.45 0.00 -1.46 0.00 0.00 175.22 174.57 1k83 s ALA 59 N 0.77 -1.29 0.02 11.12 0.00 -1.25 0.16 121.76 131.28 1k83 s ALA 59 Ca -0.03 1.60 -0.19 0.00 0.00 0.00 0.00 51.96 53.34 1k83 s ALA 59 Cb -0.05 -1.42 0.04 0.00 0.00 0.00 0.00 23.12 21.69 1k83 s ALA 59 CO -0.06 -0.81 0.43 0.00 0.00 0.00 0.00 175.76 175.31 1k83 s ALA 60 N 2.65 -1.07 0.07 0.00 0.00 -0.94 -4.98 121.76 117.50 1k83 s ALA 60 Ca -0.01 0.44 -0.01 0.00 0.00 0.00 0.00 51.96 52.38 1k83 s ALA 60 Cb -0.12 0.26 -0.04 0.00 0.00 0.00 0.00 23.12 23.21 1k83 s ALA 60 CO -0.14 -0.41 -0.01 1.52 0.00 0.00 0.00 175.76 176.72 1k83 s TYR 61 N -2.10 0.61 -0.27 0.00 -0.85 -1.26 -0.87 117.35 112.61 1k83 s TYR 61 Ca -0.08 -1.11 -0.25 0.00 -0.52 0.00 0.00 57.07 55.11 1k83 s TYR 61 Cb -0.02 -0.41 0.12 0.00 0.38 0.00 0.00 41.96 42.03 1k83 s TYR 61 CO 0.00 -0.41 1.04 -1.59 -1.52 0.00 0.00 175.55 173.07 1k83 s LYS 62 N -3.95 0.50 -0.37 -3.49 -2.85 -0.62 -4.97 119.74 104.00 1k83 s LYS 62 Ca 0.11 0.56 -0.09 0.00 -1.00 0.00 0.00 55.97 55.55 1k83 s LYS 62 Cb 0.08 0.25 0.04 0.00 -2.06 0.00 0.00 37.83 36.14 1k83 s LYS 62 CO -0.07 -0.07 0.18 0.54 0.10 0.00 0.00 175.35 176.03 1k83 s VAL 63 N 0.12 4.25 0.37 1.79 0.11 -1.26 -1.18 120.40 124.59 1k83 s VAL 63 Ca 0.03 -1.06 0.11 0.00 -2.93 0.00 0.00 61.98 58.12 1k83 s VAL 63 Cb -0.05 -3.43 0.33 0.00 -1.53 0.00 0.00 36.38 31.70 1k83 s VAL 63 CO -0.06 -0.27 1.88 -0.33 -3.33 0.00 0.00 175.10 172.99 1k83 h GLU 64 N 8.36 0.61 -2.76 1.54 5.08 -1.94 -3.41 114.58 122.06 1k83 h GLU 64 Ca -0.24 -0.04 -0.24 0.00 -1.00 0.00 0.00 59.36 57.84 1k83 h GLU 64 Cb 1.09 -0.14 -0.33 0.00 0.50 0.00 0.00 28.75 29.87 1k83 h GLU 64 CO 0.66 0.40 -0.56 -1.58 -1.00 0.00 0.00 179.01 176.94 1k83 s HIS 65 N -5.61 -0.40 0.64 4.33 5.04 -1.26 -5.02 115.29 113.01 1k83 s HIS 65 Ca -0.09 0.79 0.16 0.00 -1.54 0.00 0.00 55.06 54.37 1k83 s HIS 65 Cb 0.22 -0.12 0.73 0.00 0.04 0.00 0.00 32.58 33.45 1k83 s HIS 65 CO 0.78 -0.42 1.37 -1.00 -2.34 0.00 0.00 174.74 173.14 1k83 h PRO 66 N 8.29 0.00 0.03 2.88 0.13 -1.98 -1.77 132.00 139.58 1k83 h PRO 66 Ca -0.15 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.98 1k83 h PRO 66 Cb 1.12 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.25 1k83 h PRO 66 CO 0.17 0.00 -0.02 0.74 -0.23 0.00 0.00 178.00 178.67 1k83 h PHE 67 N 0.00 -0.04 -3.17 1.56 0.05 -1.98 -3.44 116.94 109.92 1k83 h PHE 67 Ca 0.12 -0.00 -0.58 0.00 3.82 0.00 0.00 57.97 61.33 1k83 h PHE 67 Cb 1.79 0.01 -0.05 0.00 2.00 0.00 0.00 35.95 39.71 1k83 h PHE 67 CO 0.00 0.31 -0.08 -0.06 -0.18 0.00 0.00 178.31 178.30 1k83 s PHE 68 N -4.79 3.79 -0.66 -0.55 0.40 -0.67 -5.03 117.98 110.47 1k83 s PHE 68 Ca -0.15 1.20 -0.23 0.00 -0.60 0.00 0.00 56.93 57.15 1k83 s PHE 68 Cb 0.03 -2.44 0.07 0.00 0.51 0.00 0.00 43.02 41.19 1k83 s PHE 68 CO 0.66 0.60 0.99 0.00 0.70 0.00 0.00 175.22 178.17 1k83 s ALA 69 N -1.11 3.09 0.00 5.36 0.00 -1.26 -4.79 121.76 123.05 1k83 s ALA 69 Ca 0.28 -1.79 0.00 0.00 0.00 0.00 0.00 51.96 50.45 1k83 s ALA 69 Cb -0.19 -3.89 0.00 0.00 0.00 0.00 0.00 23.12 19.05 1k83 s ALA 69 CO 0.17 -2.80 0.00 2.89 0.00 0.00 0.00 175.76 176.02 1k83 n ARG 70 N 7.83 0.00 -4.33 0.00 1.85 -1.03 -1.40 116.66 119.58 1k83 n ARG 70 Ca -0.03 0.00 -0.17 0.00 -1.00 0.00 0.00 57.85 56.64 1k83 n ARG 70 Cb 0.46 0.00 -0.10 0.00 -1.05 0.00 0.00 32.46 31.77 1k83 n ARG 70 CO 0.00 0.00 0.00 -0.59 -0.01 0.00 0.00 177.63 177.03 1k83 s PHE 71 N -0.86 1.58 -0.07 2.89 -0.12 -0.99 -4.51 117.98 115.91 1k83 s PHE 71 Ca 0.00 -0.77 0.03 0.00 -0.05 0.00 0.00 56.93 56.14 1k83 s PHE 71 Cb 0.00 -0.85 -0.02 0.00 -0.63 0.00 0.00 43.02 41.52 1k83 s PHE 71 CO 0.00 0.13 -0.14 0.15 -0.05 0.00 0.00 175.22 175.31 1k83 s LYS 72 N -3.76 2.69 -0.15 1.99 1.02 -0.33 -1.72 119.74 119.48 1k83 s LYS 72 Ca 0.24 -0.70 0.00 0.00 0.02 0.00 0.00 55.97 55.54 1k83 s LYS 72 Cb 0.03 -2.43 0.02 0.00 -0.52 0.00 0.00 37.83 34.94 1k83 s LYS 72 CO 0.07 0.53 -0.13 -1.17 -0.92 0.00 0.00 175.35 173.73 1k83 s LEU 73 N -0.49 1.66 -0.19 3.17 0.20 0.36 -1.58 118.68 121.81 1k83 s LEU 73 Ca 0.06 -0.50 -0.06 0.00 0.69 0.00 0.00 54.13 54.32 1k83 s LEU 73 Cb -0.12 -1.13 -0.04 0.00 -0.43 0.00 0.00 46.19 44.48 1k83 s LEU 73 CO 0.02 -0.07 0.04 -0.60 -0.29 0.00 0.00 176.35 175.44 1k83 s ARG 74 N 1.51 3.84 -0.06 1.98 3.52 -0.05 0.03 118.95 129.72 1k83 s ARG 74 Ca 0.04 -0.41 0.04 0.00 -0.13 0.00 0.00 55.73 55.27 1k83 s ARG 74 Cb -0.13 -3.15 0.00 0.00 -1.56 0.00 0.00 34.95 30.11 1k83 s ARG 74 CO -0.10 0.19 -0.18 0.42 -0.81 0.00 0.00 175.30 174.82 1k83 s ILE 75 N 0.56 1.52 -0.02 4.11 1.01 -0.42 -2.20 121.20 125.77 1k83 s ILE 75 Ca 0.01 -0.74 0.05 0.00 0.00 0.00 0.00 60.65 59.97 1k83 s ILE 75 Cb -0.13 -1.32 -0.01 0.00 0.01 0.00 0.00 42.46 41.00 1k83 s ILE 75 CO 0.02 0.44 -0.16 -1.58 0.00 0.00 0.00 174.94 173.65 1k83 s GLN 76 N 0.23 1.34 0.06 2.79 0.74 0.12 -1.01 119.66 123.93 1k83 s GLN 76 Ca -0.09 -0.57 -0.02 0.00 0.05 0.00 0.00 55.36 54.73 1k83 s GLN 76 Cb -0.14 -1.28 -0.03 0.00 1.10 0.00 0.00 33.01 32.66 1k83 s GLN 76 CO 0.04 0.33 0.01 0.95 -0.55 0.00 0.00 175.29 176.07 1k83 s THR 77 N -0.33 0.20 0.66 -0.34 -4.23 -1.08 -0.02 115.64 110.51 1k83 s THR 77 Ca 0.05 -1.72 -0.17 0.00 -1.18 0.00 0.00 61.69 58.67 1k83 s THR 77 Cb -0.07 -1.52 -0.01 0.00 1.34 0.00 0.00 72.50 72.24 1k83 s THR 77 CO -0.00 -0.92 1.15 0.41 -0.54 0.00 0.00 174.62 174.72 1k83 n THR 78 N 0.07 4.14 -1.47 3.99 -1.04 -0.45 -4.75 114.28 114.78 1k83 n THR 78 Ca -0.14 -0.46 -0.39 0.00 -2.04 0.00 0.00 64.05 61.02 1k83 n THR 78 Cb 0.61 -1.32 0.03 0.00 -1.82 0.00 0.00 70.33 67.83 1k83 n THR 78 CO 0.00 0.00 0.00 1.21 -0.64 0.00 0.00 175.07 175.64 1k83 n GLU 79 N -1.77 0.58 0.00 -2.82 2.13 -1.26 -1.48 120.64 116.01 1k83 n GLU 79 Ca 0.15 0.22 0.00 0.00 0.66 0.00 0.00 57.16 58.19 1k83 n GLU 79 Cb 0.48 -1.68 0.00 0.00 0.27 0.00 0.00 31.44 30.52 1k83 n GLU 79 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1k83 n GLY 80 N 1.75 2.70 3.61 8.31 0.00 -1.26 -4.94 105.19 115.35 1k83 n GLY 80 Ca 0.11 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.73 1k83 n GLY 80 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1k83 s TYR 81 N -0.45 3.25 -0.03 1.61 6.04 -0.55 -5.05 117.35 122.17 1k83 s TYR 81 Ca 0.00 0.60 -0.26 0.00 0.04 0.00 0.00 57.07 57.45 1k83 s TYR 81 Cb 0.00 -2.82 -0.04 0.00 -1.04 0.00 0.00 41.96 38.07 1k83 s TYR 81 CO 0.00 -0.36 0.81 0.34 -1.54 0.00 0.00 175.55 174.80 1k83 s ASP 82 N 1.58 7.15 0.22 4.32 -1.08 -1.26 -4.59 116.67 123.01 1k83 s ASP 82 Ca 0.22 1.39 -0.08 0.00 -0.52 0.00 0.00 52.55 53.56 1k83 s ASP 82 Cb -0.15 -2.48 0.29 0.00 -1.46 0.00 0.00 42.92 39.12 1k83 s ASP 82 CO 0.10 -0.16 1.81 1.55 0.52 0.00 0.00 175.17 178.99 1k83 h PRO 83 N 6.67 0.70 -0.97 4.34 0.13 -1.91 -0.52 132.00 140.45 1k83 h PRO 83 Ca -0.41 -0.04 0.28 0.00 -0.87 0.00 0.00 66.00 64.95 1k83 h PRO 83 Cb 1.21 -0.16 -0.14 0.00 0.13 0.00 0.00 31.00 32.04 1k83 h PRO 83 CO 0.75 0.46 0.49 0.87 -0.23 0.00 0.00 178.00 180.34 1k83 h LYS 84 N 0.72 0.36 -0.26 0.86 1.57 -1.96 0.28 116.57 118.13 1k83 h LYS 84 Ca 0.33 -0.02 -0.10 0.00 -1.87 0.00 0.00 60.65 58.99 1k83 h LYS 84 Cb 0.23 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 32.46 1k83 h LYS 84 CO -0.20 0.24 -0.22 -0.44 -0.57 0.00 0.00 179.45 178.25 1k83 h ASP 85 N 0.37 0.65 -0.88 0.86 3.32 -1.51 -2.07 116.42 117.16 1k83 h ASP 85 Ca 0.66 -0.46 0.09 0.00 0.02 0.00 0.00 57.03 57.35 1k83 h ASP 85 Cb 1.40 -0.18 -0.07 0.00 0.22 0.00 0.00 39.33 40.69 1k83 h ASP 85 CO -0.58 0.97 0.53 0.00 -1.72 0.00 0.00 179.24 178.45 1k83 h ALA 86 N 0.70 1.27 0.35 3.45 0.00 0.06 0.59 119.26 125.68 1k83 h ALA 86 Ca 0.05 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 1k83 h ALA 86 Cb 0.77 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1k83 h ALA 86 CO 0.06 0.19 -0.17 1.25 0.00 0.00 0.00 179.25 180.58 1k83 h LEU 87 N 0.90 -0.40 -0.46 0.00 5.85 -0.96 1.12 115.31 121.37 1k83 h LEU 87 Ca 0.42 -0.02 0.09 0.00 0.84 0.00 0.00 57.88 59.21 1k83 h LEU 87 Cb 0.34 0.10 -0.10 0.00 0.37 0.00 0.00 40.66 41.38 1k83 h LEU 87 CO -0.23 -0.24 -0.28 0.11 -0.34 0.00 0.00 178.44 177.46 1k83 h LYS 88 N -0.53 -0.18 -0.03 1.25 1.57 -0.53 0.39 116.57 118.52 1k83 h LYS 88 Ca -0.05 0.01 0.02 0.00 -1.87 0.00 0.00 60.65 58.76 1k83 h LYS 88 Cb 0.40 0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.73 1k83 h LYS 88 CO 0.08 -0.12 -0.07 -0.91 -0.57 0.00 0.00 179.45 177.86 1k83 h ASN 89 N -0.18 -0.20 -0.41 0.86 4.21 0.53 0.00 115.58 120.39 1k83 h ASN 89 Ca 0.20 0.04 0.08 0.00 1.21 0.00 0.00 56.30 57.83 1k83 h ASN 89 Cb 0.51 0.09 -0.02 0.00 -1.12 0.00 0.00 38.32 37.79 1k83 h ASN 89 CO -0.57 -0.10 0.28 0.00 -1.29 0.00 0.00 177.43 175.76 1k83 h ALA 90 N 0.91 2.14 0.26 -0.83 0.00 0.26 0.91 119.26 122.90 1k83 h ALA 90 Ca 0.04 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1k83 h ALA 90 Cb 0.16 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1k83 h ALA 90 CO -0.09 -0.24 -0.12 0.00 0.00 0.00 0.00 179.25 178.80 1k83 h ASN 92 N -0.64 -1.28 -1.25 0.00 2.35 -0.85 1.09 115.58 115.00 1k83 h ASN 92 Ca -0.04 0.21 0.37 0.00 -0.55 0.00 0.00 56.30 56.30 1k83 h ASN 92 Cb 0.27 0.58 -0.10 0.00 0.05 0.00 0.00 38.32 39.12 1k83 h ASN 92 CO 0.06 -0.34 0.83 -1.28 -1.65 0.00 0.00 177.43 175.05 1k83 h SER 93 N -0.27 0.25 0.00 5.81 0.87 -0.93 0.14 113.55 119.43 1k83 h SER 93 Ca 0.17 0.08 -0.00 0.00 -1.23 0.00 0.00 61.79 60.81 1k83 h SER 93 Cb 0.56 0.05 0.00 0.00 -0.44 0.00 0.00 62.40 62.58 1k83 h SER 93 CO -0.59 -0.04 -0.00 0.40 -0.53 0.00 0.00 176.83 176.07 1k83 h ILE 94 N 0.17 1.14 -1.01 2.23 2.04 0.14 -3.06 117.51 119.16 1k83 h ILE 94 Ca 0.70 -1.85 0.23 0.00 1.00 0.00 0.00 64.86 64.94 1k83 h ILE 94 Cb 2.23 2.15 -0.11 0.00 -0.74 0.00 0.00 36.82 40.35 1k83 h ILE 94 CO -0.27 0.38 0.62 0.40 0.00 0.00 0.00 178.15 179.28 1k83 h ILE 95 N -1.00 0.60 0.23 -0.67 2.04 0.18 -0.91 117.51 117.97 1k83 h ILE 95 Ca -0.00 -0.20 -0.01 0.00 1.00 0.00 0.00 64.86 65.65 1k83 h ILE 95 Cb 0.63 -0.04 0.00 0.00 -0.74 0.00 0.00 36.82 36.68 1k83 h ILE 95 CO 0.00 0.11 -0.11 0.78 0.00 0.00 0.00 178.15 178.93 1k83 h ASN 96 N 0.58 -0.26 -0.68 1.72 2.35 -0.93 -2.24 115.58 116.13 1k83 h ASN 96 Ca 0.60 0.01 0.23 0.00 -0.55 0.00 0.00 56.30 56.58 1k83 h ASN 96 Cb 1.19 0.07 -0.12 0.00 0.05 0.00 0.00 38.32 39.50 1k83 h ASN 96 CO -0.38 -0.15 0.15 0.29 -1.65 0.00 0.00 177.43 175.69 1k83 n LYS 97 N -2.99 -0.05 0.09 0.81 5.02 -0.55 0.22 118.16 120.71 1k83 n LYS 97 Ca -0.04 0.98 -0.06 0.00 -2.02 0.00 0.00 58.31 57.18 1k83 n LYS 97 Cb 0.12 -1.64 0.09 0.00 -0.02 0.00 0.00 35.03 33.58 1k83 n LYS 97 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 1k83 h LEU 98 N 0.00 0.26 0.33 -0.35 3.38 -1.18 -1.99 115.31 115.76 1k83 h LEU 98 Ca 0.48 -0.16 -0.02 0.00 0.09 0.00 0.00 57.88 58.27 1k83 h LEU 98 Cb 1.12 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.79 1k83 h LEU 98 CO -0.59 0.85 -0.16 1.23 0.09 0.00 0.00 178.44 179.86 1k83 h GLY 99 N 1.57 -0.46 -0.05 0.83 0.00 0.34 0.34 103.07 105.64 1k83 h GLY 99 Ca -0.01 0.17 0.06 0.00 0.00 0.00 0.00 47.33 47.54 1k83 h GLY 99 CO 0.10 -0.17 -0.38 0.00 0.00 0.00 0.00 176.54 176.10 1k83 h ALA 100 N 0.05 -0.41 -0.65 3.60 0.00 -1.33 -0.82 119.26 119.70 1k83 h ALA 100 Ca -0.04 0.04 0.11 0.00 0.00 0.00 0.00 54.91 55.01 1k83 h ALA 100 Cb 0.42 0.74 -0.08 0.00 0.00 0.00 0.00 17.79 18.88 1k83 h ALA 100 CO 0.07 -0.84 0.24 1.25 0.00 0.00 0.00 179.25 179.98 1k83 h LEU 101 N -0.38 0.24 0.05 0.00 7.12 -1.26 -1.48 115.31 119.60 1k83 h LEU 101 Ca 0.11 0.09 0.03 0.00 0.13 0.00 0.00 57.88 58.24 1k83 h LEU 101 Cb 0.58 0.07 -0.04 0.00 -0.53 0.00 0.00 40.66 40.74 1k83 h LEU 101 CO -0.45 0.13 -0.26 0.50 -0.13 0.00 0.00 178.44 178.23 1k83 h LYS 102 N 0.42 -0.41 0.07 1.25 3.64 0.17 -1.91 116.57 119.79 1k83 h LYS 102 Ca 0.33 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.74 1k83 h LYS 102 Cb 0.44 0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.34 1k83 h LYS 102 CO -0.33 -0.27 -0.14 1.15 -2.27 0.00 0.00 179.45 177.58 1k83 h THR 103 N -0.43 0.00 -1.65 1.00 2.02 -0.40 -1.64 112.91 111.81 1k83 h THR 103 Ca 0.05 0.00 0.52 0.00 0.77 0.00 0.00 66.41 67.74 1k83 h THR 103 Cb 0.49 0.00 -0.11 0.00 -1.74 0.00 0.00 68.15 66.79 1k83 h THR 103 CO -0.19 0.00 1.13 0.78 0.37 0.00 0.00 175.52 177.61 1k83 h ASN 104 N -0.23 0.11 0.13 4.18 4.21 -1.23 0.23 115.58 122.98 1k83 h ASN 104 Ca -0.01 0.08 -0.01 0.00 1.21 0.00 0.00 56.30 57.58 1k83 h ASN 104 Cb 0.21 0.08 0.00 0.00 -1.12 0.00 0.00 38.32 37.49 1k83 h ASN 104 CO -0.05 -0.13 -0.06 0.15 -1.29 0.00 0.00 177.43 176.05 1k83 h PHE 105 N 0.01 -0.16 -0.05 1.19 3.57 -0.49 -2.11 116.94 118.90 1k83 h PHE 105 Ca 0.90 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 62.41 1k83 h PHE 105 Cb 3.23 0.05 -0.00 0.00 2.79 0.00 0.00 35.95 42.02 1k83 h PHE 105 CO -0.00 0.32 0.08 0.93 -2.23 0.00 0.00 178.31 177.41 1k83 h GLU 106 N -0.80 0.00 0.27 1.11 5.08 0.17 0.74 114.58 121.14 1k83 h GLU 106 Ca -0.02 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.33 1k83 h GLU 106 Cb 0.55 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.80 1k83 h GLU 106 CO 0.03 0.00 -0.13 1.15 -1.00 0.00 0.00 179.01 179.06 1k83 h THR 107 N 0.00 0.00 -0.27 1.13 2.02 -1.04 -3.17 112.91 111.58 1k83 h THR 107 Ca 0.03 -0.31 0.08 0.00 0.77 0.00 0.00 66.41 66.97 1k83 h THR 107 Cb 0.19 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 66.59 1k83 h THR 107 CO -0.00 0.00 0.25 -0.33 0.37 0.00 0.00 175.52 175.81 1k83 h GLU 108 N -0.67 0.00 -0.43 6.66 4.39 -1.01 -1.96 114.58 121.55 1k83 h GLU 108 Ca -0.04 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.66 1k83 h GLU 108 Cb 0.28 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.91 1k83 h GLU 108 CO 0.06 0.00 0.26 2.35 -1.16 0.00 0.00 179.01 180.52 1k83 h TRP 109 N 0.00 0.57 -0.03 4.33 -0.00 -0.89 -3.05 115.95 116.88 1k83 h TRP 109 Ca 0.13 -0.00 -0.00 0.00 -0.00 0.00 0.00 58.89 59.02 1k83 h TRP 109 Cb 0.63 -0.19 -0.00 0.00 -0.00 0.00 0.00 29.16 29.60 1k83 h TRP 109 CO 0.00 0.41 0.01 -0.91 -0.00 0.00 0.00 178.44 177.95 1k83 h ASN 110 N 0.57 0.04 0.00 2.65 2.35 -1.32 -2.59 115.58 117.28 1k83 h ASN 110 Ca 0.15 -0.18 0.00 0.00 -0.55 0.00 0.00 56.30 55.73 1k83 h ASN 110 Cb 0.00 -0.01 0.00 0.00 0.05 0.00 0.00 38.32 38.36 1k83 h ASN 110 CO -0.03 0.20 0.00 0.18 -1.65 0.00 0.00 177.43 176.13 1k83 n LEU 111 N -4.98 0.00 -4.90 1.61 4.77 -1.16 -4.61 117.00 107.73 1k83 n LEU 111 Ca -0.07 0.00 -0.34 0.00 -0.03 0.00 0.00 56.01 55.57 1k83 n LEU 111 Cb 0.11 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.15 1k83 n LEU 111 CO 0.33 0.00 -0.16 -1.10 -1.33 0.00 0.00 177.39 175.13 1k83 s GLN 112 N -1.85 3.42 -0.36 3.23 -1.52 -0.98 -5.08 119.66 116.53 1k83 s GLN 112 Ca 0.00 -0.32 -0.09 0.00 -1.95 0.00 0.00 55.36 53.00 1k83 s GLN 112 Cb 0.00 -3.09 0.03 0.00 -0.22 0.00 0.00 33.01 29.73 1k83 s GLN 112 CO 0.00 0.68 0.17 0.99 -0.25 0.00 0.00 175.29 176.88 1k83 s THR 113 N -1.30 4.26 0.00 -0.19 2.01 -1.26 -5.06 115.64 114.09 1k83 s THR 113 Ca 0.26 -0.96 0.00 0.00 0.31 0.00 0.00 61.69 61.30 1k83 s THR 113 Cb -0.13 -3.39 0.00 0.00 0.01 0.00 0.00 72.50 68.99 1k83 s THR 113 CO 0.18 -0.21 0.00 -0.11 -0.69 0.00 0.00 174.62 173.79