#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k33 s VAL 2 N 0.00 2.84 -0.03 2.12 0.11 -1.00 -5.02 120.40 119.41 2k33 s VAL 2 Ca 0.00 -1.78 0.07 0.00 -2.93 0.00 0.00 61.98 57.34 2k33 s VAL 2 Cb 0.00 -2.38 -0.02 0.00 -1.53 0.00 0.00 36.38 32.45 2k33 s VAL 2 CO 0.00 -0.09 -0.23 -0.63 -3.33 0.00 0.00 175.10 170.83 2k33 s ILE 3 N -1.63 2.34 -0.36 7.04 1.01 -1.26 0.22 121.20 128.56 2k33 s ILE 3 Ca 0.23 -1.00 -0.13 0.00 0.00 0.00 0.00 60.65 59.75 2k33 s ILE 3 Cb -0.09 -1.85 0.00 0.00 0.01 0.00 0.00 42.46 40.54 2k33 s ILE 3 CO 0.13 0.58 0.24 -0.63 0.00 0.00 0.00 174.94 175.26 2k33 s ILE 4 N -0.63 5.10 0.19 2.92 1.01 -0.44 -4.87 121.20 124.49 2k33 s ILE 4 Ca 0.10 -0.45 0.03 0.00 0.00 0.00 0.00 60.65 60.33 2k33 s ILE 4 Cb -0.10 -3.71 -0.05 0.00 0.01 0.00 0.00 42.46 38.60 2k33 s ILE 4 CO -0.00 -0.12 -0.02 -1.59 0.00 0.00 0.00 174.94 173.20 2k33 s LYS 5 N 1.68 1.20 0.21 2.79 0.00 -1.26 -4.03 119.74 120.32 2k33 s LYS 5 Ca 0.05 -1.58 -0.04 0.00 0.00 0.00 0.00 55.97 54.41 2k33 s LYS 5 Cb -0.18 -0.51 0.05 0.00 0.00 0.00 0.00 37.83 37.20 2k33 s LYS 5 CO 0.09 -0.07 0.19 -0.35 0.00 0.00 0.00 175.35 175.21 2k33 n PRO 6 N -0.31 -1.40 0.00 1.78 -0.04 -1.26 -4.92 135.00 128.84 2k33 n PRO 6 Ca -0.07 -0.30 0.00 0.00 -0.04 0.00 0.00 63.50 63.09 2k33 n PRO 6 Cb 0.63 -0.28 0.00 0.00 -0.04 0.00 0.00 33.50 33.81 2k33 n PRO 6 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2k33 n GLN 7 N -2.09 -0.65 -3.77 0.54 0.00 -1.26 -4.01 117.38 106.14 2k33 n GLN 7 Ca 0.03 -0.48 -0.10 0.00 0.00 0.00 0.00 57.00 56.45 2k33 n GLN 7 Cb 0.10 -0.98 -0.04 0.00 0.00 0.00 0.00 30.24 29.32 2k33 n GLN 7 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.06 177.20 2k33 s VAL 8 N -0.05 0.03 0.19 -0.39 -7.23 -1.26 -4.81 120.40 106.87 2k33 s VAL 8 Ca 0.00 -0.87 -0.08 0.00 -1.81 0.00 0.00 61.98 59.23 2k33 s VAL 8 Cb 0.00 -1.61 -0.06 0.00 0.56 0.00 0.00 36.38 35.26 2k33 s VAL 8 CO 0.00 -0.15 0.47 -0.94 -0.31 0.00 0.00 175.10 174.17 2k33 s SER 9 N -2.89 6.57 0.00 4.85 1.04 -1.26 -3.96 113.70 118.05 2k33 s SER 9 Ca 0.10 0.77 0.00 0.00 0.48 0.00 0.00 55.95 57.30 2k33 s SER 9 Cb -0.00 -2.17 0.00 0.00 0.10 0.00 0.00 66.02 63.95 2k33 s SER 9 CO -0.03 -0.01 0.00 0.61 0.98 0.00 0.00 173.24 174.80 2k33 n GLY 10 N 0.00 -0.46 3.01 7.32 0.00 -1.08 -3.91 105.19 110.07 2k33 n GLY 10 Ca -0.01 0.19 -0.13 0.00 0.00 0.00 0.00 46.02 46.07 2k33 n GLY 10 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2k33 s VAL 11 N 0.00 -0.01 0.45 1.61 1.01 -1.01 0.02 120.40 122.47 2k33 s VAL 11 Ca 0.00 0.02 -0.25 0.00 0.00 0.00 0.00 61.98 61.75 2k33 s VAL 11 Cb 0.00 -0.22 -0.08 0.00 0.00 0.00 0.00 36.38 36.08 2k33 s VAL 11 CO 0.00 0.01 1.37 -0.38 0.00 0.00 0.00 175.10 176.10 2k33 n ILE 12 N 3.17 2.81 -0.03 2.22 2.08 -1.00 -0.13 119.36 128.48 2k33 n ILE 12 Ca -0.14 -0.50 -0.04 0.00 0.56 0.00 0.00 62.75 62.63 2k33 n ILE 12 Cb 0.58 -1.74 -0.05 0.00 -0.75 0.00 0.00 39.64 37.68 2k33 n ILE 12 CO 0.00 0.00 0.00 0.52 0.56 0.00 0.00 176.55 177.63 2k33 n VAL 13 N -0.29 0.44 -3.69 1.39 0.31 0.13 -2.17 118.33 114.45 2k33 n VAL 13 Ca 0.06 -0.26 0.01 0.00 -0.01 0.00 0.00 64.34 64.15 2k33 n VAL 13 Cb 0.41 -0.82 -0.00 0.00 -0.91 0.00 0.00 33.84 32.52 2k33 n VAL 13 CO 0.00 0.00 0.00 0.21 -1.32 0.00 0.00 176.83 175.72 2k33 s ASN 14 N -3.97 -0.05 -0.32 4.52 2.47 -1.24 -4.87 114.94 111.49 2k33 s ASN 14 Ca -0.05 -0.17 -0.02 0.00 0.42 0.00 0.00 52.86 53.04 2k33 s ASN 14 Cb 0.02 0.18 0.12 0.00 -1.45 0.00 0.00 41.25 40.12 2k33 s ASN 14 CO 0.25 -0.34 0.16 -0.54 -3.72 0.00 0.00 177.10 172.91 2k33 s LYS 15 N -2.38 0.40 -1.36 0.43 1.02 -1.26 -1.30 119.74 115.29 2k33 s LYS 15 Ca 0.17 -0.92 -0.06 0.00 0.02 0.00 0.00 55.97 55.18 2k33 s LYS 15 Cb 0.04 -1.32 0.09 0.00 -0.52 0.00 0.00 37.83 36.12 2k33 s LYS 15 CO -0.03 -1.09 2.45 1.28 -0.92 0.00 0.00 175.35 177.04 2k33 n LEU 16 N 4.72 8.12 -4.00 3.17 4.77 0.13 -4.89 117.00 129.02 2k33 n LEU 16 Ca 0.01 -4.82 -0.09 0.00 -0.03 0.00 0.00 56.01 51.08 2k33 n LEU 16 Cb 0.40 -1.39 -0.06 0.00 -2.33 0.00 0.00 43.42 40.04 2k33 n LEU 16 CO 0.09 2.05 0.11 0.72 -1.33 0.00 0.00 177.39 179.03 2k33 s PHE 17 N -0.69 0.42 0.16 -1.77 -0.71 -1.21 -3.77 117.98 110.41 2k33 s PHE 17 Ca 0.56 -0.76 0.06 0.00 -1.04 0.00 0.00 56.93 55.75 2k33 s PHE 17 Cb 0.18 0.09 -0.04 0.00 -1.21 0.00 0.00 43.02 42.04 2k33 s PHE 17 CO -0.09 -0.91 -0.13 0.15 -1.34 0.00 0.00 175.22 172.90 2k33 s LYS 18 N -4.02 1.16 -0.52 1.99 -0.14 -1.26 -5.10 119.74 111.85 2k33 s LYS 18 Ca 0.22 -1.45 -0.23 0.00 -1.36 0.00 0.00 55.97 53.15 2k33 s LYS 18 Cb 0.01 -0.92 0.04 0.00 -1.68 0.00 0.00 37.83 35.28 2k33 s LYS 18 CO 0.07 0.15 0.87 0.00 -0.76 0.00 0.00 175.35 175.68 2k33 s ALA 19 N -2.83 3.22 0.00 5.17 0.00 -1.26 -3.69 121.76 122.38 2k33 s ALA 19 Ca 0.17 -1.25 0.00 0.00 0.00 0.00 0.00 51.96 50.88 2k33 s ALA 19 Cb -0.01 -3.63 0.00 0.00 0.00 0.00 0.00 23.12 19.48 2k33 s ALA 19 CO 0.04 -2.24 0.00 0.41 0.00 0.00 0.00 175.76 173.97 2k33 n GLY 20 N 5.09 1.04 3.93 0.00 0.00 -0.35 -4.94 105.19 109.96 2k33 n GLY 20 Ca 0.01 -0.25 -0.21 0.00 0.00 0.00 0.00 46.02 45.57 2k33 n GLY 20 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2k33 s ASP 21 N -2.24 5.10 0.08 1.61 2.15 -1.24 -4.90 116.67 117.23 2k33 s ASP 21 Ca 0.00 -0.78 -0.21 0.00 0.43 0.00 0.00 52.55 51.99 2k33 s ASP 21 Cb 0.00 -0.32 -0.07 0.00 -0.30 0.00 0.00 42.92 42.24 2k33 s ASP 21 CO 0.00 -0.84 0.62 -1.59 -0.17 0.00 0.00 175.17 173.20 2k33 s LYS 22 N -4.27 4.31 0.34 4.34 -2.85 -1.26 -2.38 119.74 117.98 2k33 s LYS 22 Ca 0.49 0.84 0.07 0.00 -1.00 0.00 0.00 55.97 56.37 2k33 s LYS 22 Cb -0.05 -3.26 -0.02 0.00 -2.06 0.00 0.00 37.83 32.44 2k33 s LYS 22 CO 0.29 0.57 0.37 0.08 0.10 0.00 0.00 175.35 176.76 2k33 s VAL 23 N -0.93 3.66 0.05 1.79 1.01 0.87 -4.90 120.40 121.95 2k33 s VAL 23 Ca 0.31 -1.22 0.04 0.00 0.00 0.00 0.00 61.98 61.11 2k33 s VAL 23 Cb -0.20 -3.25 -0.03 0.00 0.00 0.00 0.00 36.38 32.91 2k33 s VAL 23 CO 0.20 -0.15 -0.12 -0.75 0.00 0.00 0.00 175.10 174.28 2k33 s LYS 24 N -4.08 0.76 -0.59 2.72 2.47 -1.26 -2.39 119.74 117.36 2k33 s LYS 24 Ca 0.43 -0.83 -0.26 0.00 -1.56 0.00 0.00 55.97 53.75 2k33 s LYS 24 Cb -0.07 -0.71 -0.10 0.00 -1.46 0.00 0.00 37.83 35.49 2k33 s LYS 24 CO 0.28 0.16 2.43 1.63 0.16 0.00 0.00 175.35 180.01 2k33 n LYS 25 N 1.53 0.86 -0.09 4.03 5.02 -1.26 -0.25 118.16 127.99 2k33 n LYS 25 Ca -0.21 -0.22 0.00 0.00 -2.02 0.00 0.00 58.31 55.87 2k33 n LYS 25 Cb 0.54 -3.39 0.00 0.00 -0.02 0.00 0.00 35.03 32.16 2k33 n LYS 25 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2k33 n GLY 26 N 6.22 0.95 3.70 0.72 0.00 -0.71 -4.93 105.19 111.13 2k33 n GLY 26 Ca 0.41 -0.06 -0.41 0.00 0.00 0.00 0.00 46.02 45.96 2k33 n GLY 26 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2k33 s GLN 27 N -0.47 4.42 0.33 1.61 0.74 0.65 -4.70 119.66 122.23 2k33 s GLN 27 Ca 0.00 1.13 -0.29 0.00 0.05 0.00 0.00 55.36 56.25 2k33 s GLN 27 Cb 0.00 -3.51 -0.11 0.00 1.10 0.00 0.00 33.01 30.49 2k33 s GLN 27 CO 0.00 -0.15 1.51 0.99 -0.55 0.00 0.00 175.29 177.09 2k33 s THR 28 N 1.47 2.17 0.00 -0.34 2.01 -1.26 -1.72 115.64 117.97 2k33 s THR 28 Ca 0.43 0.16 0.00 0.00 0.31 0.00 0.00 61.69 62.59 2k33 s THR 28 Cb -0.18 -3.10 0.00 0.00 0.01 0.00 0.00 72.50 69.23 2k33 s THR 28 CO 0.19 0.03 0.00 0.18 -0.69 0.00 0.00 174.62 174.33 2k33 n LEU 29 N 1.32 0.37 -4.14 4.42 4.77 -0.77 -4.50 117.00 118.46 2k33 n LEU 29 Ca 0.04 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.93 2k33 n LEU 29 Cb 0.39 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.38 2k33 n LEU 29 CO 0.63 0.06 -0.30 -0.36 -1.33 0.00 0.00 177.39 176.09 2k33 s PHE 30 N -1.19 0.82 -0.05 -1.77 0.40 -1.08 0.17 117.98 115.29 2k33 s PHE 30 Ca 0.00 -1.21 -0.09 0.00 -0.60 0.00 0.00 56.93 55.03 2k33 s PHE 30 Cb 0.00 -0.47 0.02 0.00 0.51 0.00 0.00 43.02 43.08 2k33 s PHE 30 CO 0.00 -0.50 0.21 0.42 0.70 0.00 0.00 175.22 176.05 2k33 s ILE 31 N -4.03 0.03 -0.03 0.64 1.01 -0.42 -0.11 121.20 118.30 2k33 s ILE 31 Ca 0.22 -0.27 -0.03 0.00 0.00 0.00 0.00 60.65 60.57 2k33 s ILE 31 Cb 0.08 -0.39 0.01 0.00 0.01 0.00 0.00 42.46 42.16 2k33 s ILE 31 CO 0.00 -0.15 0.07 -0.63 0.00 0.00 0.00 174.94 174.24 2k33 s ILE 32 N -0.53 0.00 -0.29 2.92 1.01 -0.61 0.19 121.20 123.90 2k33 s ILE 32 Ca -0.06 -0.02 -0.08 0.00 0.00 0.00 0.00 60.65 60.49 2k33 s ILE 32 Cb -0.04 -0.12 -0.01 0.00 0.01 0.00 0.00 42.46 42.31 2k33 s ILE 32 CO 0.01 -0.01 0.10 -0.70 0.00 0.00 0.00 174.94 174.35 2k33 s GLU 33 N 0.01 3.35 1.01 2.79 -6.30 0.82 0.44 118.70 120.81 2k33 s GLU 33 Ca -0.00 -0.69 -0.17 0.00 -2.50 0.00 0.00 54.97 51.60 2k33 s GLU 33 Cb -0.01 -3.43 -0.01 0.00 0.00 0.00 0.00 34.13 30.68 2k33 s GLU 33 CO 0.00 -0.36 -0.19 1.04 0.02 0.00 0.00 175.26 175.77 2k33 n GLN 34 N 4.93 -0.52 -0.79 4.30 3.00 -1.21 -2.40 117.38 124.68 2k33 n GLN 34 Ca -0.15 -0.13 -0.04 0.00 -0.01 0.00 0.00 57.00 56.67 2k33 n GLN 34 Cb 0.49 -1.53 -0.04 0.00 0.00 0.00 0.00 30.24 29.16 2k33 n GLN 34 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.06 176.66 2k33 n ASP 35 N 0.21 -0.58 -3.03 1.08 5.75 -1.25 -4.79 116.55 113.94 2k33 n ASP 35 Ca 0.02 -1.18 0.00 0.00 -0.01 0.00 0.00 54.79 53.63 2k33 n ASP 35 Cb 0.59 0.17 0.00 0.00 -1.03 0.00 0.00 41.12 40.85 2k33 n ASP 35 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2k33 n GLN 36 N 0.00 -1.65 0.19 0.11 6.02 -1.26 -4.54 117.38 116.25 2k33 n GLN 36 Ca -0.16 0.00 0.18 0.00 -0.01 0.00 0.00 57.00 57.01 2k33 n GLN 36 Cb 0.51 0.00 0.78 0.00 1.02 0.00 0.00 30.24 32.56 2k33 n GLN 36 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2k33 h ALA 37 N -1.94 1.79 -0.03 -1.58 0.00 -2.01 0.79 119.26 116.28 2k33 h ALA 37 Ca 0.00 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.91 2k33 h ALA 37 Cb 0.00 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 2k33 h ALA 37 CO 0.00 -0.50 0.16 0.66 0.00 0.00 0.00 179.25 179.58 2k33 h SER 38 N 0.00 0.00 0.18 0.00 4.64 -1.94 -0.92 113.55 115.51 2k33 h SER 38 Ca 0.11 0.00 -0.32 0.00 -0.47 0.00 0.00 61.79 61.11 2k33 h SER 38 Cb 0.86 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.96 2k33 h SER 38 CO -0.00 0.00 -1.55 0.11 -0.87 0.00 0.00 176.83 174.52 2k33 h LYS 39 N 0.00 0.38 -0.04 4.77 6.56 -1.07 -2.99 116.57 124.18 2k33 h LYS 39 Ca 0.02 -0.65 0.01 0.00 -1.06 0.00 0.00 60.65 58.97 2k33 h LYS 39 Cb 0.34 0.24 -0.00 0.00 -0.57 0.00 0.00 32.23 32.24 2k33 h LYS 39 CO -0.00 1.31 0.18 -0.44 -2.06 0.00 0.00 179.45 178.44 2k33 h ASP 40 N -0.03 0.00 0.00 0.86 5.19 -1.28 -3.32 116.42 117.84 2k33 h ASP 40 Ca -0.31 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.10 2k33 h ASP 40 Cb 1.99 0.00 0.00 0.00 0.18 0.00 0.00 39.33 41.50 2k33 h ASP 40 CO 0.16 0.00 0.00 0.33 -3.12 0.00 0.00 179.24 176.61 2k33 n PHE 41 N -3.14 0.00 0.00 4.55 7.35 -1.14 -5.11 117.46 119.98 2k33 n PHE 41 Ca -0.02 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.67 2k33 n PHE 41 Cb 0.25 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.08 2k33 n PHE 41 CO 0.00 0.00 0.00 -1.71 -0.76 0.00 0.00 176.76 174.29 2k33 n ASN 42 N -0.71 0.00 0.00 -2.13 4.05 -1.13 -5.04 115.26 110.29 2k33 n ASN 42 Ca 0.00 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.03 2k33 n ASN 42 Cb 0.00 0.04 0.00 0.00 1.23 0.00 0.00 39.78 41.05 2k33 n ASN 42 CO 0.00 0.00 0.00 -1.14 -3.05 0.00 0.00 177.26 173.07 2k33 n ARG 43 N -1.41 0.00 -0.63 1.20 3.00 -1.26 -4.80 116.66 112.77 2k33 n ARG 43 Ca 0.00 0.00 0.09 0.00 -0.00 0.00 0.00 57.85 57.94 2k33 n ARG 43 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 32.46 32.44 2k33 n ARG 43 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.63 176.50 2k33 n SER 44 N 2.68 -6.81 0.03 6.15 3.41 -1.26 -4.52 113.62 113.30 2k33 n SER 44 Ca 0.00 0.67 -0.22 0.00 -0.26 0.00 0.00 58.87 59.06 2k33 n SER 44 Cb 0.00 -1.91 -0.14 0.00 -0.26 0.00 0.00 64.21 61.90 2k33 n SER 44 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 2k33 h LYS 45 N 0.00 0.30 0.00 4.33 6.56 -1.93 -3.46 116.57 122.37 2k33 h LYS 45 Ca 0.01 -0.51 0.00 0.00 -1.06 0.00 0.00 60.65 59.10 2k33 h LYS 45 Cb 0.57 0.19 0.00 0.00 -0.57 0.00 0.00 32.23 32.42 2k33 h LYS 45 CO 0.00 1.24 0.00 0.00 -2.06 0.00 0.00 179.45 178.64 2k33 n ALA 46 N -2.96 0.00 -2.43 3.86 0.00 -1.26 -4.98 120.51 112.74 2k33 n ALA 46 Ca -0.28 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.14 2k33 n ALA 46 Cb 1.00 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 20.43 2k33 n ALA 46 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2k33 n LEU 47 N 0.00 -6.12 -3.09 0.00 4.77 -1.26 -4.99 117.00 106.30 2k33 n LEU 47 Ca 0.00 1.51 -0.15 0.00 -0.03 0.00 0.00 56.01 57.34 2k33 n LEU 47 Cb 0.00 -2.88 -0.05 0.00 -2.33 0.00 0.00 43.42 38.17 2k33 n LEU 47 CO 0.00 -2.94 -0.09 -0.36 -1.33 0.00 0.00 177.39 172.67 2k33 s PHE 48 N -0.94 -0.35 0.02 -1.77 0.40 -1.26 -4.95 117.98 109.14 2k33 s PHE 48 Ca -0.12 -1.33 -0.10 0.00 -0.60 0.00 0.00 56.93 54.78 2k33 s PHE 48 Cb 0.01 -0.27 -0.05 0.00 0.51 0.00 0.00 43.02 43.21 2k33 s PHE 48 CO 0.64 -1.06 0.35 0.45 0.70 0.00 0.00 175.22 176.30 2k33 s SER 49 N 0.59 6.64 0.58 1.36 0.15 -1.26 -4.97 113.70 116.79 2k33 s SER 49 Ca 0.30 0.77 0.28 0.00 0.70 0.00 0.00 55.95 57.99 2k33 s SER 49 Cb 0.00 -2.17 1.58 0.00 -1.71 0.00 0.00 66.02 63.73 2k33 s SER 49 CO -0.11 0.26 2.06 -0.61 1.20 0.00 0.00 173.24 176.04 2k33 h GLN 50 N 4.19 0.00 0.00 5.44 4.15 -2.02 0.13 115.11 127.01 2k33 h GLN 50 Ca -0.51 0.00 -0.02 0.00 0.77 0.00 0.00 58.65 58.89 2k33 h GLN 50 Cb 1.21 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.89 2k33 h GLN 50 CO 0.64 0.00 -0.11 1.03 -1.93 0.00 0.00 178.83 178.46 2k33 h SER 51 N 0.00 0.00 0.00 -0.69 0.87 -2.04 -3.16 113.55 108.53 2k33 h SER 51 Ca 0.12 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.67 2k33 h SER 51 Cb 0.62 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.58 2k33 h SER 51 CO -0.00 0.11 -0.08 0.00 -0.53 0.00 0.00 176.83 176.34 2k33 h ALA 52 N 1.89 0.01 -2.14 6.23 0.00 -1.14 -3.48 119.26 120.62 2k33 h ALA 52 Ca -0.00 -0.17 -0.42 0.00 0.00 0.00 0.00 54.91 54.32 2k33 h ALA 52 Cb 0.28 0.06 -0.14 0.00 0.00 0.00 0.00 17.79 18.00 2k33 h ALA 52 CO 0.01 0.06 -0.65 0.96 0.00 0.00 0.00 179.25 179.64 2k33 s ILE 53 N -1.76 1.20 -0.86 0.00 -4.36 -1.18 -5.10 121.20 109.15 2k33 s ILE 53 Ca -0.06 -2.05 -0.16 0.00 -0.26 0.00 0.00 60.65 58.13 2k33 s ILE 53 Cb -0.00 -2.46 0.19 0.00 1.25 0.00 0.00 42.46 41.43 2k33 s ILE 53 CO 0.16 -0.25 0.89 -0.44 0.24 0.00 0.00 174.94 175.54 2k33 s SER 54 N -3.37 6.71 0.54 4.36 0.01 -1.26 -4.36 113.70 116.32 2k33 s SER 54 Ca 0.30 -2.46 0.30 0.00 1.31 0.00 0.00 55.95 55.40 2k33 s SER 54 Cb 0.06 -2.27 1.46 0.00 0.21 0.00 0.00 66.02 65.47 2k33 s SER 54 CO 0.11 -0.74 1.92 -0.61 0.41 0.00 0.00 173.24 174.32 2k33 h GLN 55 N 8.15 0.00 -0.28 12.44 4.15 -1.87 0.29 115.11 137.99 2k33 h GLN 55 Ca 0.12 0.00 0.08 0.00 0.77 0.00 0.00 58.65 59.62 2k33 h GLN 55 Cb 1.04 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.71 2k33 h GLN 55 CO 0.88 0.00 0.27 1.57 -1.93 0.00 0.00 178.83 179.62 2k33 h LYS 56 N 0.00 0.00 0.00 1.69 2.10 -2.00 -1.89 116.57 116.48 2k33 h LYS 56 Ca 0.37 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.02 2k33 h LYS 56 Cb 1.49 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.82 2k33 h LYS 56 CO -0.00 0.00 -0.25 0.39 -2.00 0.00 0.00 179.45 177.58 2k33 n GLU 57 N -3.90 0.64 -4.14 0.07 1.02 0.86 -5.08 120.64 110.11 2k33 n GLU 57 Ca 0.04 -1.69 -0.14 0.00 -0.02 0.00 0.00 57.16 55.35 2k33 n GLU 57 Cb 0.42 -0.95 -0.07 0.00 -0.02 0.00 0.00 31.44 30.83 2k33 n GLU 57 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 2k33 s TYR 58 N -1.28 1.09 0.18 -0.32 2.02 -0.21 -5.00 117.35 113.82 2k33 s TYR 58 Ca 0.14 -1.28 -0.15 0.00 -0.37 0.00 0.00 57.07 55.41 2k33 s TYR 58 Cb 0.12 -0.28 0.02 0.00 -0.40 0.00 0.00 41.96 41.42 2k33 s TYR 58 CO 0.01 -0.93 0.44 -0.51 -1.57 0.00 0.00 175.55 172.99 2k33 s ASP 59 N -3.20 -0.17 0.14 2.29 1.01 -1.26 -4.58 116.67 110.91 2k33 s ASP 59 Ca 0.33 -0.57 0.13 0.00 0.71 0.00 0.00 52.55 53.15 2k33 s ASP 59 Cb 0.02 0.52 -0.09 0.00 1.01 0.00 0.00 42.92 44.38 2k33 s ASP 59 CO 0.17 -0.98 1.14 0.28 0.21 0.00 0.00 175.17 175.99 2k33 h SER 60 N 2.32 0.00 0.07 0.27 0.02 -1.98 -3.18 113.55 111.08 2k33 h SER 60 Ca -0.30 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.63 2k33 h SER 60 Cb 1.25 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.79 2k33 h SER 60 CO 0.42 0.69 -0.07 0.28 -1.14 0.00 0.00 176.83 177.01 2k33 h SER 61 N 0.00 0.00 -0.21 3.07 0.02 -2.00 -1.00 113.55 113.43 2k33 h SER 61 Ca -0.08 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.87 2k33 h SER 61 Cb 1.60 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.14 2k33 h SER 61 CO 0.08 0.07 0.00 0.00 -1.14 0.00 0.00 176.83 175.84 2k33 n LEU 62 N -4.42 3.11 -3.36 5.07 -0.00 -1.24 -4.60 117.00 111.56 2k33 n LEU 62 Ca -0.03 -1.28 -0.27 0.00 -0.00 0.00 0.00 56.01 54.43 2k33 n LEU 62 Cb 0.15 -0.13 -0.08 0.00 -0.00 0.00 0.00 43.42 43.37 2k33 n LEU 62 CO 0.35 0.61 0.08 0.00 -0.00 0.00 0.00 177.39 178.43 2k33 n ALA 63 N 1.31 4.10 0.00 1.47 0.00 -0.38 -4.99 120.51 122.02 2k33 n ALA 63 Ca 0.16 -4.74 0.00 0.00 0.00 0.00 0.00 53.44 48.86 2k33 n ALA 63 Cb 0.56 -0.88 0.00 0.00 0.00 0.00 0.00 19.45 19.13 2k33 n ALA 63 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2k33 n THR 64 N 0.74 0.00 0.19 0.00 -2.24 -1.25 -4.78 114.28 106.93 2k33 n THR 64 Ca 0.30 0.00 0.01 0.00 -2.27 0.00 0.00 64.05 62.08 2k33 n THR 64 Cb 0.41 0.00 0.15 0.00 -2.10 0.00 0.00 70.33 68.79 2k33 n THR 64 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2k33 n LEU 65 N 0.00 3.27 -4.56 3.22 -0.00 -1.26 -4.84 117.00 112.83 2k33 n LEU 65 Ca 0.00 -1.67 -0.53 0.00 -0.00 0.00 0.00 56.01 53.81 2k33 n LEU 65 Cb 0.00 -0.59 -0.06 0.00 -0.00 0.00 0.00 43.42 42.77 2k33 n LEU 65 CO 0.00 0.47 0.77 0.47 -0.00 0.00 0.00 177.39 179.10 2k33 n ASP 66 N 0.18 1.11 -4.90 1.45 9.92 -1.26 -4.62 116.55 118.43 2k33 n ASP 66 Ca 0.14 1.13 -0.29 0.00 -0.53 0.00 0.00 54.79 55.25 2k33 n ASP 66 Cb 0.71 -1.12 -0.03 0.00 -0.64 0.00 0.00 41.12 40.05 2k33 n ASP 66 CO 0.00 0.00 0.00 -1.00 0.13 0.00 0.00 177.20 176.33 2k33 s HIS 67 N 0.23 3.49 -0.13 1.24 3.76 -1.26 -3.36 115.29 119.27 2k33 s HIS 67 Ca 0.84 0.81 0.01 0.00 -0.15 0.00 0.00 55.06 56.57 2k33 s HIS 67 Cb -1.02 -2.26 -0.01 0.00 1.11 0.00 0.00 32.58 30.40 2k33 s HIS 67 CO 0.50 -0.02 -0.15 -0.08 -0.85 0.00 0.00 174.74 174.15 2k33 s THR 68 N -2.32 2.83 -0.44 1.30 -1.32 0.17 -4.97 115.64 110.89 2k33 s THR 68 Ca 0.47 -0.74 -0.16 0.00 -1.21 0.00 0.00 61.69 60.05 2k33 s THR 68 Cb -0.10 -2.17 0.04 0.00 -1.51 0.00 0.00 72.50 68.75 2k33 s THR 68 CO 0.33 0.53 0.41 -1.61 -2.21 0.00 0.00 174.62 172.07 2k33 s GLU 69 N 0.39 3.03 -0.90 7.08 2.02 -1.26 -1.58 118.70 127.48 2k33 s GLU 69 Ca -0.12 -1.02 -0.25 0.00 0.02 0.00 0.00 54.97 53.60 2k33 s GLU 69 Cb -0.16 -4.04 0.03 0.00 0.10 0.00 0.00 34.13 30.06 2k33 s GLU 69 CO 0.06 -0.92 1.46 0.42 0.02 0.00 0.00 175.26 176.30 2k33 s ILE 70 N 1.92 3.79 0.01 -1.63 1.09 0.85 -4.98 121.20 122.24 2k33 s ILE 70 Ca 0.08 -0.31 -0.08 0.00 -1.10 0.00 0.00 60.65 59.23 2k33 s ILE 70 Cb -0.20 -4.86 -0.05 0.00 -1.06 0.00 0.00 42.46 36.29 2k33 s ILE 70 CO 0.10 -1.77 0.30 -1.59 -0.10 0.00 0.00 174.94 171.88 2k33 s LYS 71 N 5.51 3.65 0.50 2.79 -2.85 -1.26 -1.85 119.74 126.22 2k33 s LYS 71 Ca 0.46 0.03 -0.23 0.00 -1.00 0.00 0.00 55.97 55.23 2k33 s LYS 71 Cb -0.04 -3.09 -0.06 0.00 -2.06 0.00 0.00 37.83 32.58 2k33 s LYS 71 CO 0.00 0.65 1.33 0.00 0.10 0.00 0.00 175.35 177.43 2k33 s ALA 72 N -1.27 2.96 0.31 0.59 0.00 -0.70 -4.84 121.76 118.82 2k33 s ALA 72 Ca 0.27 1.27 0.10 0.00 0.00 0.00 0.00 51.96 53.60 2k33 s ALA 72 Cb -0.14 -3.53 0.50 0.00 0.00 0.00 0.00 23.12 19.96 2k33 s ALA 72 CO 0.15 -1.15 1.71 -1.00 0.00 0.00 0.00 175.76 175.46 2k33 h PRO 73 N 1.84 0.06 -1.61 0.00 0.13 -1.93 -1.90 132.00 128.59 2k33 h PRO 73 Ca -0.50 -0.03 0.06 0.00 -0.87 0.00 0.00 66.00 64.66 2k33 h PRO 73 Cb 1.28 0.00 -0.24 0.00 0.13 0.00 0.00 31.00 32.17 2k33 h PRO 73 CO 0.59 0.53 0.49 -0.59 -0.23 0.00 0.00 178.00 178.79 2k33 s PHE 74 N -3.94 -0.43 0.68 1.56 -0.12 -1.26 -4.67 117.98 109.81 2k33 s PHE 74 Ca -0.03 0.84 -0.17 0.00 -0.05 0.00 0.00 56.93 57.52 2k33 s PHE 74 Cb 0.13 0.42 -0.05 0.00 -0.63 0.00 0.00 43.02 42.90 2k33 s PHE 74 CO 0.75 -0.33 0.59 -0.40 -0.05 0.00 0.00 175.22 175.79 2k33 n ASP 75 N 1.20 -0.90 0.00 1.98 5.75 -1.26 -4.61 116.55 118.72 2k33 n ASP 75 Ca -0.12 0.64 0.00 0.00 -0.01 0.00 0.00 54.79 55.31 2k33 n ASP 75 Cb 0.57 -1.23 0.00 0.00 -1.03 0.00 0.00 41.12 39.43 2k33 n ASP 75 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2k33 n GLY 76 N 1.61 -0.55 3.41 6.12 0.00 -1.01 -4.75 105.19 110.02 2k33 n GLY 76 Ca 0.11 -0.45 -0.33 0.00 0.00 0.00 0.00 46.02 45.36 2k33 n GLY 76 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2k33 s THR 77 N -4.00 2.87 -0.01 2.61 2.01 -0.69 -0.09 115.64 118.33 2k33 s THR 77 Ca 0.00 -0.77 0.03 0.00 0.31 0.00 0.00 61.69 61.26 2k33 s THR 77 Cb 0.00 -2.14 -0.03 0.00 0.01 0.00 0.00 72.50 70.34 2k33 s THR 77 CO 0.00 0.57 -0.09 -0.51 -0.69 0.00 0.00 174.62 173.90 2k33 s ILE 78 N -0.30 3.52 0.00 1.82 2.07 -1.00 -0.05 121.20 127.25 2k33 s ILE 78 Ca 0.02 -0.75 0.00 0.00 -1.41 0.00 0.00 60.65 58.51 2k33 s ILE 78 Cb -0.13 -2.49 0.00 0.00 0.13 0.00 0.00 42.46 39.97 2k33 s ILE 78 CO 0.03 0.45 0.00 0.61 -1.91 0.00 0.00 174.94 174.11 2k33 n GLY 79 N 1.76 0.90 3.90 1.50 0.00 -0.93 -1.21 105.19 111.11 2k33 n GLY 79 Ca -0.16 -1.69 -0.32 0.00 0.00 0.00 0.00 46.02 43.85 2k33 n GLY 79 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2k33 s ASP 80 N -1.00 6.47 0.75 1.61 1.47 -1.26 -3.86 116.67 120.84 2k33 s ASP 80 Ca 0.00 0.51 -0.15 0.00 1.18 0.00 0.00 52.55 54.09 2k33 s ASP 80 Cb 0.00 -2.06 0.04 0.00 -0.34 0.00 0.00 42.92 40.56 2k33 s ASP 80 CO 0.00 0.13 1.20 0.00 0.68 0.00 0.00 175.17 177.18 2k33 n ALA 81 N 0.39 0.33 -0.07 2.11 0.00 -1.26 -4.64 120.51 117.37 2k33 n ALA 81 Ca -0.05 -0.21 -0.09 0.00 0.00 0.00 0.00 53.44 53.09 2k33 n ALA 81 Cb 0.52 -2.26 -0.06 0.00 0.00 0.00 0.00 19.45 17.65 2k33 n ALA 81 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2k33 n LEU 82 N -2.64 2.91 0.00 0.00 4.32 0.20 -4.97 117.00 116.82 2k33 n LEU 82 Ca 0.14 -0.06 -0.20 0.00 -0.02 0.00 0.00 56.01 55.87 2k33 n LEU 82 Cb 0.49 -0.46 0.01 0.00 -1.62 0.00 0.00 43.42 41.84 2k33 n LEU 82 CO 0.48 0.71 0.08 1.33 -1.22 0.00 0.00 177.39 178.77 2k33 n VAL 83 N -2.92 0.00 -4.35 4.08 0.24 -1.26 -5.08 118.33 109.04 2k33 n VAL 83 Ca -0.24 -1.73 -0.23 0.00 -2.04 0.00 0.00 64.34 60.11 2k33 n VAL 83 Cb 0.75 -0.17 -0.04 0.00 -1.47 0.00 0.00 33.84 32.91 2k33 n VAL 83 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 2k33 n ASN 84 N -1.93 2.84 -4.84 -1.34 3.02 -1.26 -5.11 115.26 106.63 2k33 n ASN 84 Ca -0.00 -2.57 -0.34 0.00 -0.03 0.00 0.00 54.58 51.64 2k33 n ASN 84 Cb 0.50 0.18 -0.06 0.00 -0.61 0.00 0.00 39.78 39.79 2k33 n ASN 84 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2k33 s ILE 85 N -2.26 4.69 -0.18 2.41 1.01 -1.26 -3.93 121.20 121.69 2k33 s ILE 85 Ca 0.06 0.97 0.00 0.00 0.00 0.00 0.00 60.65 61.68 2k33 s ILE 85 Cb -0.00 -3.69 0.00 0.00 0.01 0.00 0.00 42.46 38.77 2k33 s ILE 85 CO 0.04 -0.02 0.00 0.61 0.00 0.00 0.00 174.94 175.57 2k33 n GLY 86 N 0.07 0.53 3.69 6.18 0.00 -0.92 -4.96 105.19 109.77 2k33 n GLY 86 Ca 0.01 -0.51 -0.35 0.00 0.00 0.00 0.00 46.02 45.17 2k33 n GLY 86 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2k33 s ASP 87 N -2.53 5.59 -0.04 1.61 -1.08 -1.25 -4.83 116.67 114.13 2k33 s ASP 87 Ca 0.00 0.16 -0.29 0.00 -0.52 0.00 0.00 52.55 51.89 2k33 s ASP 87 Cb 0.00 -1.81 -0.07 0.00 -1.46 0.00 0.00 42.92 39.57 2k33 s ASP 87 CO 0.00 0.28 1.99 -0.47 0.52 0.00 0.00 175.17 177.49 2k33 s TYR 88 N -0.29 1.34 0.10 -5.34 5.04 -1.26 -2.39 117.35 114.54 2k33 s TYR 88 Ca 0.08 -0.13 -0.04 0.00 -2.44 0.00 0.00 57.07 54.54 2k33 s TYR 88 Cb -0.12 -4.14 -0.05 0.00 0.35 0.00 0.00 41.96 38.00 2k33 s TYR 88 CO 0.02 -4.97 0.32 0.14 -1.34 0.00 0.00 175.55 169.72 2k33 s VAL 89 N 5.41 5.23 -1.01 3.14 -7.23 0.10 -4.95 120.40 121.09 2k33 s VAL 89 Ca 0.89 -0.00 -0.08 0.00 -1.81 0.00 0.00 61.98 60.98 2k33 s VAL 89 Cb -0.39 -3.62 0.25 0.00 0.56 0.00 0.00 36.38 33.19 2k33 s VAL 89 CO 0.39 0.13 0.96 -0.44 -0.31 0.00 0.00 175.10 175.83 2k33 s SER 90 N -2.27 6.87 0.20 4.85 0.01 -1.26 -2.62 113.70 119.48 2k33 s SER 90 Ca 0.37 -3.48 0.00 0.00 1.31 0.00 0.00 55.95 54.15 2k33 s SER 90 Cb -0.13 -2.13 0.00 0.00 0.21 0.00 0.00 66.02 63.98 2k33 s SER 90 CO 0.23 -0.30 0.00 0.00 0.41 0.00 0.00 173.24 173.58 2k33 n ALA 91 N 2.82 0.00 0.30 1.44 0.00 -1.25 -1.34 120.51 122.47 2k33 n ALA 91 Ca 0.21 0.00 0.20 0.00 0.00 0.00 0.00 53.44 53.85 2k33 n ALA 91 Cb 0.40 0.00 1.03 0.00 0.00 0.00 0.00 19.45 20.88 2k33 n ALA 91 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2k33 h SER 92 N 1.08 0.00 0.35 0.00 4.64 -1.79 -0.62 113.55 117.21 2k33 h SER 92 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2k33 h SER 92 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2k33 h SER 92 CO 0.00 0.00 0.00 0.41 -0.87 0.00 0.00 176.83 176.37 2k33 n THR 93 N -2.92 0.64 -0.79 2.95 -1.04 -0.45 -3.53 114.28 109.14 2k33 n THR 93 Ca -0.02 0.16 -0.09 0.00 -2.04 0.00 0.00 64.05 62.05 2k33 n THR 93 Cb 0.10 -0.90 -0.02 0.00 -1.82 0.00 0.00 70.33 67.69 2k33 n THR 93 CO 0.00 0.00 0.00 1.07 -0.64 0.00 0.00 175.07 175.50 2k33 n THR 94 N -1.33 2.52 -1.31 12.58 5.66 -0.24 -4.86 114.28 127.30 2k33 n THR 94 Ca 0.07 -1.24 -0.58 0.00 -3.05 0.00 0.00 64.05 59.24 2k33 n THR 94 Cb 0.14 -1.55 -0.11 0.00 -1.55 0.00 0.00 70.33 67.26 2k33 n THR 94 CO 0.00 0.00 0.00 -1.84 -3.05 0.00 0.00 175.07 170.18 2k33 n GLU 95 N 1.29 0.22 -0.01 1.09 0.00 -1.23 -4.77 120.64 117.23 2k33 n GLU 95 Ca 0.21 0.06 0.10 0.00 0.00 0.00 0.00 57.16 57.53 2k33 n GLU 95 Cb 0.60 -1.70 -0.15 0.00 0.00 0.00 0.00 31.44 30.20 2k33 n GLU 95 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.13 178.60 2k33 n LEU 96 N 7.86 0.30 -3.60 -1.84 -0.00 -1.26 -4.80 117.00 113.66 2k33 n LEU 96 Ca 0.51 -0.16 -0.04 0.00 -0.00 0.00 0.00 56.01 56.33 2k33 n LEU 96 Cb 0.01 0.00 -0.02 0.00 -0.00 0.00 0.00 43.42 43.42 2k33 n LEU 96 CO 0.86 0.08 0.90 0.54 -0.00 0.00 0.00 177.39 179.76 2k33 s VAL 97 N -3.28 0.00 0.14 1.47 0.11 -1.26 0.58 120.40 118.17 2k33 s VAL 97 Ca -0.03 -0.15 0.06 0.00 -2.93 0.00 0.00 61.98 58.93 2k33 s VAL 97 Cb 0.14 -1.39 -0.04 0.00 -1.53 0.00 0.00 36.38 33.56 2k33 s VAL 97 CO 0.85 0.00 -0.14 0.00 -3.33 0.00 0.00 175.10 172.48 2k33 s ARG 98 N -2.71 1.11 -0.07 1.54 3.03 -1.26 -1.33 118.95 119.25 2k33 s ARG 98 Ca 0.10 -1.33 0.01 0.00 2.03 0.00 0.00 55.73 56.54 2k33 s ARG 98 Cb 0.00 -0.98 -0.03 0.00 -1.03 0.00 0.00 34.95 32.91 2k33 s ARG 98 CO -0.04 0.18 -0.08 0.08 -1.13 0.00 0.00 175.30 174.31 2k33 s VAL 99 N -2.32 3.63 0.43 4.99 1.01 0.13 -2.20 120.40 126.07 2k33 s VAL 99 Ca 0.12 -0.50 0.06 0.00 0.00 0.00 0.00 61.98 61.66 2k33 s VAL 99 Cb -0.04 -2.48 -0.06 0.00 0.00 0.00 0.00 36.38 33.80 2k33 s VAL 99 CO 0.04 0.59 0.06 0.42 0.00 0.00 0.00 175.10 176.21 2k33 s THR 100 N -0.74 1.97 0.18 3.92 -4.23 0.93 -2.38 115.64 115.29 2k33 s THR 100 Ca 0.11 -1.91 0.00 0.00 -1.18 0.00 0.00 61.69 58.71 2k33 s THR 100 Cb -0.11 -2.88 0.00 0.00 1.34 0.00 0.00 72.50 70.85 2k33 s THR 100 CO 0.01 0.00 0.00 -3.20 -0.54 0.00 0.00 174.62 170.89 2k33 n ASN 101 N -1.09 -4.80 0.00 3.99 2.85 -1.26 -1.71 115.26 113.24 2k33 n ASN 101 Ca -0.06 0.83 0.00 0.00 -0.11 0.00 0.00 54.58 55.24 2k33 n ASN 101 Cb 0.66 -2.33 0.00 0.00 1.24 0.00 0.00 39.78 39.35 2k33 n ASN 101 CO 0.00 0.00 0.00 -0.11 -2.11 0.00 0.00 177.26 175.04 2k33 n LEU 102 N 0.00 0.00 -4.89 1.20 -0.00 -1.26 -4.79 117.00 107.26 2k33 n LEU 102 Ca 0.01 0.00 -0.29 0.00 -0.00 0.00 0.00 56.01 55.72 2k33 n LEU 102 Cb 0.35 0.00 -0.03 0.00 -0.00 0.00 0.00 43.42 43.75 2k33 n LEU 102 CO 0.01 0.00 0.38 0.54 -0.00 0.00 0.00 177.39 178.32 2k33 s ASN 103 N 0.00 6.47 -0.55 1.96 2.20 -1.26 -5.00 114.94 118.76 2k33 s ASN 103 Ca 0.00 1.00 -0.27 0.00 -0.94 0.00 0.00 52.86 52.65 2k33 s ASN 103 Cb 0.00 -2.27 -0.02 0.00 -2.00 0.00 0.00 41.25 36.96 2k33 s ASN 103 CO 0.00 -0.37 1.82 -2.16 -2.94 0.00 0.00 177.10 173.45 2k33 s PRO 104 N -3.90 2.82 -0.32 3.55 0.04 -1.26 -4.96 135.00 130.96 2k33 s PRO 104 Ca 0.49 0.78 -0.06 0.00 0.04 0.00 0.00 61.00 62.25 2k33 s PRO 104 Cb -0.10 -4.33 0.03 0.00 0.04 0.00 0.00 34.50 30.14 2k33 s PRO 104 CO 0.33 -2.50 0.08 0.42 0.04 0.00 0.00 177.00 175.37 2k33 s ILE 105 N 8.44 3.70 0.00 0.56 1.09 -1.26 -4.78 121.20 128.95 2k33 s ILE 105 Ca 0.69 -1.04 0.00 0.00 -1.10 0.00 0.00 60.65 59.20 2k33 s ILE 105 Cb -0.14 -3.04 0.00 0.00 -1.06 0.00 0.00 42.46 38.22 2k33 s ILE 105 CO 0.24 -0.09 0.00 -1.22 -0.10 0.00 0.00 174.94 173.77 2k33 n TYR 106 N 4.80 0.00 -1.62 3.97 4.01 -1.26 -4.99 117.16 122.07 2k33 n TYR 106 Ca -0.13 0.00 -0.45 0.00 -0.16 0.00 0.00 57.90 57.15 2k33 n TYR 106 Cb 0.45 0.04 -0.02 0.00 -0.31 0.00 0.00 39.34 39.50 2k33 n TYR 106 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2k33 n ALA 107 N -1.92 0.18 -2.87 -0.72 0.00 -1.26 -4.90 120.51 109.02 2k33 n ALA 107 Ca 0.00 0.41 -0.40 0.00 0.00 0.00 0.00 53.44 53.45 2k33 n ALA 107 Cb 0.17 -2.12 0.00 0.00 0.00 0.00 0.00 19.45 17.50 2k33 n ALA 107 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2k33 n ASP 108 N 1.56 6.50 0.00 0.00 5.68 -1.26 -4.69 116.55 124.34 2k33 n ASP 108 Ca 0.11 -3.56 0.00 0.00 -0.50 0.00 0.00 54.79 50.84 2k33 n ASP 108 Cb 0.31 -1.13 0.00 0.00 -1.14 0.00 0.00 41.12 39.16 2k33 n ASP 108 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2k33 n GLY 109 N 0.56 0.76 0.38 6.12 0.00 -1.26 -4.98 105.19 106.77 2k33 n GLY 109 Ca 0.36 -0.65 0.20 0.00 0.00 0.00 0.00 46.02 45.93 2k33 n GLY 109 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2k33 h SER 110 N 0.00 0.00 -2.55 1.61 0.02 -2.01 -3.42 113.55 107.20 2k33 h SER 110 Ca 0.00 0.00 -0.39 0.00 -0.84 0.00 0.00 61.79 60.56 2k33 h SER 110 Cb 0.00 0.00 0.21 0.00 0.14 0.00 0.00 62.40 62.75 2k33 h SER 110 CO 0.00 0.00 -0.51 1.41 -1.14 0.00 0.00 176.83 176.59 2k33 n HIS 111 N -4.21 -2.03 -2.45 3.45 8.25 -1.26 -4.67 115.22 112.30 2k33 n HIS 111 Ca 0.09 -0.15 -0.04 0.00 -0.26 0.00 0.00 57.72 57.35 2k33 n HIS 111 Cb 0.60 -1.52 -0.04 0.00 1.12 0.00 0.00 29.99 30.16 2k33 n HIS 111 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2k33 n HIS 112 N -4.87 -3.80 -0.05 4.41 -0.00 -1.26 -5.01 115.22 104.64 2k33 n HIS 112 Ca 0.04 2.14 -0.06 0.00 -0.00 0.00 0.00 57.72 59.84 2k33 n HIS 112 Cb 0.55 -3.60 -0.06 0.00 -0.00 0.00 0.00 29.99 26.88 2k33 n HIS 112 CO 0.00 0.00 0.00 -2.39 -0.00 0.00 0.00 176.34 173.95 2k33 n HIS 113 N 1.32 0.00 -3.06 1.57 1.44 -1.26 -5.07 115.22 110.16 2k33 n HIS 113 Ca -0.31 0.00 -0.03 0.00 -2.01 0.00 0.00 57.72 55.37 2k33 n HIS 113 Cb 0.48 -0.41 0.02 0.00 0.12 0.00 0.00 29.99 30.19 2k33 n HIS 113 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11 2k33 n HIS 114 N -2.54 -2.78 -3.23 -1.40 -0.00 -1.26 -4.96 115.22 99.05 2k33 n HIS 114 Ca -0.16 1.04 -0.44 0.00 -0.00 0.00 0.00 57.72 58.16 2k33 n HIS 114 Cb 0.74 -4.05 -0.06 0.00 -0.00 0.00 0.00 29.99 26.62 2k33 n HIS 114 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2k33 s HIS 115 N -3.09 3.12 0.00 1.57 3.76 -1.26 -5.35 115.29 114.04 2k33 s HIS 115 Ca 0.11 -0.84 0.00 0.00 -0.15 0.00 0.00 55.06 54.18 2k33 s HIS 115 Cb -0.01 -3.57 0.00 0.00 1.11 0.00 0.00 32.58 30.11 2k33 s HIS 115 CO 0.72 -1.02 0.00 1.58 -0.85 0.00 0.00 174.74 175.18