#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 0.71 -0.09 5.18 -7.23 -0.99 -4.93 120.40 113.04 2k33 s VAL 2 Ca 0.00 -1.94 0.02 0.00 -1.81 0.00 0.00 61.98 58.24 2k33 s VAL 2 Cb 0.00 -1.71 0.02 0.00 0.56 0.00 0.00 36.38 35.25 2k33 s VAL 2 CO 0.00 -0.85 -0.13 -0.63 -0.31 0.00 0.00 175.10 173.18 2k33 s ILE 3 N -3.62 1.30 -0.39 -0.62 1.01 -1.26 0.13 121.20 117.75 2k33 s ILE 3 Ca 0.13 -0.54 -0.28 0.00 0.00 0.00 0.00 60.65 59.96 2k33 s ILE 3 Cb 0.05 -1.21 -0.02 0.00 0.01 0.00 0.00 42.46 41.30 2k33 s ILE 3 CO -0.04 0.40 1.76 -0.63 0.00 0.00 0.00 174.94 176.43 2k33 s ILE 4 N 0.96 3.51 0.10 2.92 1.01 -0.81 -4.93 121.20 123.96 2k33 s ILE 4 Ca -0.08 0.49 0.05 0.00 0.00 0.00 0.00 60.65 61.11 2k33 s ILE 4 Cb -0.15 -3.76 -0.04 0.00 0.01 0.00 0.00 42.46 38.52 2k33 s ILE 4 CO -0.00 -0.54 -0.13 -0.54 0.00 0.00 0.00 174.94 173.73 2k33 s LYS 5 N 5.81 0.92 0.00 2.79 1.02 -1.26 -4.40 119.74 124.62 2k33 s LYS 5 Ca 0.75 -1.15 0.00 0.00 0.02 0.00 0.00 55.97 55.59 2k33 s LYS 5 Cb -0.20 -0.77 0.00 0.00 -0.52 0.00 0.00 37.83 36.35 2k33 s LYS 5 CO 0.31 0.15 0.00 -0.35 -0.92 0.00 0.00 175.35 174.54 2k33 n PRO 6 N 0.70 -0.97 0.00 -1.68 -0.04 -1.26 -4.94 135.00 126.81 2k33 n PRO 6 Ca -0.17 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.29 2k33 n PRO 6 Cb 0.57 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.03 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 -1.48 0.56 -4.02 0.54 0.00 -1.26 -3.98 117.38 107.75 2k33 n GLN 7 Ca 0.00 -0.85 -0.11 0.00 0.00 0.00 0.00 57.00 56.04 2k33 n GLN 7 Cb 0.00 -0.96 -0.05 0.00 0.00 0.00 0.00 30.24 29.23 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 -0.37 0.00 -0.12 -0.39 -7.23 -1.26 -4.82 120.40 106.21 2k33 s VAL 8 Ca 0.00 -1.47 -0.13 0.00 -1.81 0.00 0.00 61.98 58.57 2k33 s VAL 8 Cb 0.00 -2.37 -0.05 0.00 0.56 0.00 0.00 36.38 34.52 2k33 s VAL 8 CO 0.00 0.00 0.29 -0.44 -0.31 0.00 0.00 175.10 174.64 2k33 s SER 9 N -3.08 6.51 0.00 4.85 0.01 -1.26 -3.55 113.70 117.18 2k33 s SER 9 Ca 0.25 0.60 0.00 0.00 1.31 0.00 0.00 55.95 58.11 2k33 s SER 9 Cb -0.00 -2.18 0.00 0.00 0.21 0.00 0.00 66.02 64.05 2k33 s SER 9 CO 0.12 0.20 0.00 0.61 0.41 0.00 0.00 173.24 174.58 2k33 n GLY 10 N 2.80 1.23 3.21 3.44 0.00 -1.07 -4.44 105.19 110.36 2k33 n GLY 10 Ca -0.14 0.16 -0.13 0.00 0.00 0.00 0.00 46.02 45.92 2k33 n GLY 10 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k33 s VAL 11 N 1.31 0.02 0.31 1.61 0.11 -1.01 0.46 120.40 123.21 2k33 s VAL 11 Ca 0.00 -0.14 -0.29 0.00 -2.93 0.00 0.00 61.98 58.62 2k33 s VAL 11 Cb 0.00 -0.49 -0.12 0.00 -1.53 0.00 0.00 36.38 34.24 2k33 s VAL 11 CO 0.00 -0.08 1.47 -0.38 -3.33 0.00 0.00 175.10 172.78 2k33 n ILE 12 N 2.46 1.43 -0.03 7.04 2.08 -1.01 -1.76 119.36 129.57 2k33 n ILE 12 Ca -0.15 -0.36 -0.04 0.00 0.56 0.00 0.00 62.75 62.76 2k33 n ILE 12 Cb 0.57 -1.79 -0.03 0.00 -0.75 0.00 0.00 39.64 37.64 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 1.34 0.37 -3.89 1.39 0.31 0.13 -2.39 118.33 115.59 2k33 n VAL 13 Ca 0.07 -0.16 -0.08 0.00 -0.01 0.00 0.00 64.34 64.15 2k33 n VAL 13 Cb 0.36 -0.77 -0.03 0.00 -0.91 0.00 0.00 33.84 32.49 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 -4.37 -0.21 -0.29 4.52 2.47 -1.24 -4.85 114.94 110.96 2k33 s ASN 14 Ca -0.07 -0.70 -0.04 0.00 0.42 0.00 0.00 52.86 52.47 2k33 s ASN 14 Cb 0.02 0.67 0.10 0.00 -1.45 0.00 0.00 41.25 40.60 2k33 s ASN 14 CO 0.17 -1.26 0.14 -1.59 -3.72 0.00 0.00 177.10 170.84 2k33 s LYS 15 N -3.95 0.21 -0.99 0.43 -2.85 -1.26 -2.21 119.74 109.13 2k33 s LYS 15 Ca 0.15 -0.57 -0.00 0.00 -1.00 0.00 0.00 55.97 54.54 2k33 s LYS 15 Cb -0.04 -1.16 0.32 0.00 -2.06 0.00 0.00 37.83 34.89 2k33 s LYS 15 CO 0.07 -1.03 1.74 1.28 0.10 0.00 0.00 175.35 177.51 2k33 n LEU 16 N 5.19 7.08 -4.07 2.77 4.32 0.14 -4.96 117.00 127.46 2k33 n LEU 16 Ca -0.05 -5.42 -0.10 0.00 -0.02 0.00 0.00 56.01 50.42 2k33 n LEU 16 Cb 0.42 -1.11 -0.08 0.00 -1.62 0.00 0.00 43.42 41.02 2k33 n LEU 16 CO 0.04 2.07 -0.10 0.72 -1.22 0.00 0.00 177.39 178.91 2k33 s PHE 17 N -4.23 0.70 0.15 -1.77 -0.71 -1.20 -4.19 117.98 106.73 2k33 s PHE 17 Ca 0.40 -1.02 0.06 0.00 -1.04 0.00 0.00 56.93 55.33 2k33 s PHE 17 Cb 0.20 -0.24 -0.04 0.00 -1.21 0.00 0.00 43.02 41.73 2k33 s PHE 17 CO -0.13 -0.71 -0.14 0.15 -1.34 0.00 0.00 175.22 173.05 2k33 s LYS 18 N -4.05 1.13 -0.36 1.99 3.01 -1.26 -5.12 119.74 115.09 2k33 s LYS 18 Ca 0.26 -1.38 -0.23 0.00 -1.01 0.00 0.00 55.97 53.61 2k33 s LYS 18 Cb 0.04 -0.97 0.01 0.00 -1.01 0.00 0.00 37.83 35.91 2k33 s LYS 18 CO 0.06 0.17 0.76 0.00 0.51 0.00 0.00 175.35 176.85 2k33 s ALA 19 N -2.51 3.43 0.00 5.17 0.00 -1.26 -3.73 121.76 122.86 2k33 s ALA 19 Ca 0.14 -0.68 0.00 0.00 0.00 0.00 0.00 51.96 51.42 2k33 s ALA 19 Cb -0.03 -3.34 0.00 0.00 0.00 0.00 0.00 23.12 19.75 2k33 s ALA 19 CO 0.04 -1.47 0.00 0.41 0.00 0.00 0.00 175.76 174.74 2k33 n GLY 20 N 4.55 0.90 3.85 0.00 0.00 -0.78 -4.93 105.19 108.78 2k33 n GLY 20 Ca 0.02 -0.46 -0.24 0.00 0.00 0.00 0.00 46.02 45.35 2k33 n GLY 20 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2k33 s ASP 21 N -2.44 4.73 0.20 1.61 1.11 -1.24 -4.94 116.67 115.69 2k33 s ASP 21 Ca 0.00 -1.01 -0.11 0.00 0.18 0.00 0.00 52.55 51.61 2k33 s ASP 21 Cb 0.00 -0.22 -0.07 0.00 1.07 0.00 0.00 42.92 43.70 2k33 s ASP 21 CO 0.00 -0.77 0.55 -0.54 1.18 0.00 0.00 175.17 175.58 2k33 s LYS 22 N -4.12 3.86 0.15 8.23 1.02 -1.26 -2.50 119.74 125.13 2k33 s LYS 22 Ca 0.41 0.34 0.09 0.00 0.02 0.00 0.00 55.97 56.84 2k33 s LYS 22 Cb -0.01 -2.74 -0.04 0.00 -0.52 0.00 0.00 37.83 34.52 2k33 s LYS 22 CO 0.24 0.37 -0.15 0.08 -0.92 0.00 0.00 175.35 174.97 2k33 s VAL 23 N -1.70 2.94 -0.14 3.17 1.01 -0.15 -4.94 120.40 120.59 2k33 s VAL 23 Ca 0.44 -1.64 0.02 0.00 0.00 0.00 0.00 61.98 60.80 2k33 s VAL 23 Cb -0.12 -2.40 0.00 0.00 0.00 0.00 0.00 36.38 33.86 2k33 s VAL 23 CO 0.20 -0.02 -0.20 -0.75 0.00 0.00 0.00 175.10 174.33 2k33 s LYS 24 N -2.51 3.10 -0.75 2.72 2.47 -1.26 -2.74 119.74 120.76 2k33 s LYS 24 Ca 0.21 -0.82 -0.27 0.00 -1.56 0.00 0.00 55.97 53.54 2k33 s LYS 24 Cb -0.09 -2.47 -0.15 0.00 -1.46 0.00 0.00 37.83 33.65 2k33 s LYS 24 CO 0.12 0.04 2.51 0.36 0.16 0.00 0.00 175.35 178.55 2k33 n LYS 25 N 3.93 0.51 0.00 4.03 2.85 -1.26 0.54 118.16 128.77 2k33 n LYS 25 Ca -0.19 -0.08 0.00 0.00 -1.05 0.00 0.00 58.31 56.99 2k33 n LYS 25 Cb 0.52 -2.53 0.00 0.00 -0.65 0.00 0.00 35.03 32.37 2k33 n LYS 25 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2k33 n GLY 26 N 6.23 1.36 3.72 2.58 0.00 -0.82 -4.89 105.19 113.38 2k33 n GLY 26 Ca 0.52 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 46.18 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 -0.26 4.19 0.06 1.61 -0.44 0.19 -4.63 119.66 120.38 2k33 s GLN 27 Ca 0.00 -0.15 -0.30 0.00 -2.50 0.00 0.00 55.36 52.41 2k33 s GLN 27 Cb 0.00 -3.44 -0.09 0.00 -1.64 0.00 0.00 33.01 27.84 2k33 s GLN 27 CO 0.00 0.25 1.91 0.99 0.50 0.00 0.00 175.29 178.93 2k33 s THR 28 N 0.50 2.88 0.00 -0.34 2.01 -1.26 -1.46 115.64 117.96 2k33 s THR 28 Ca 0.10 0.06 0.00 0.00 0.31 0.00 0.00 61.69 62.16 2k33 s THR 28 Cb -0.12 -3.04 0.00 0.00 0.01 0.00 0.00 72.50 69.35 2k33 s THR 28 CO 0.00 -0.00 0.00 0.18 -0.69 0.00 0.00 174.62 174.11 2k33 n LEU 29 N 6.89 0.00 -4.24 4.42 4.77 0.13 -4.73 117.00 124.24 2k33 n LEU 29 Ca 0.19 0.00 -0.18 0.00 -0.03 0.00 0.00 56.01 55.99 2k33 n LEU 29 Cb 0.40 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.42 2k33 n LEU 29 CO 0.67 0.00 -0.05 -0.36 -1.33 0.00 0.00 177.39 176.32 2k33 s PHE 30 N -1.87 1.61 -0.14 -1.77 0.40 -1.05 0.27 117.98 115.43 2k33 s PHE 30 Ca 0.00 -1.59 -0.12 0.00 -0.60 0.00 0.00 56.93 54.62 2k33 s PHE 30 Cb 0.00 -0.57 0.04 0.00 0.51 0.00 0.00 43.02 43.00 2k33 s PHE 30 CO 0.00 -0.94 0.37 0.42 0.70 0.00 0.00 175.22 175.78 2k33 s ILE 31 N -3.34 -0.01 -0.02 0.64 1.01 -0.94 0.15 121.20 118.69 2k33 s ILE 31 Ca 0.39 0.02 -0.02 0.00 0.00 0.00 0.00 60.65 61.04 2k33 s ILE 31 Cb 0.02 -0.53 0.01 0.00 0.01 0.00 0.00 42.46 41.96 2k33 s ILE 31 CO 0.26 0.01 0.06 -0.63 0.00 0.00 0.00 174.94 174.64 2k33 s ILE 32 N 0.44 -0.01 -0.16 2.92 1.01 -0.88 0.23 121.20 124.75 2k33 s ILE 32 Ca -0.02 0.02 -0.05 0.00 0.00 0.00 0.00 60.65 60.60 2k33 s ILE 32 Cb -0.04 -0.09 -0.03 0.00 0.01 0.00 0.00 42.46 42.31 2k33 s ILE 32 CO -0.02 0.01 0.02 -1.83 0.00 0.00 0.00 174.94 173.12 2k33 s GLU 33 N 0.14 3.70 0.00 2.79 -1.05 -0.72 0.13 118.70 123.69 2k33 s GLU 33 Ca -0.01 -0.41 0.00 0.00 -0.15 0.00 0.00 54.97 54.40 2k33 s GLU 33 Cb -0.02 -3.04 0.00 0.00 -0.44 0.00 0.00 34.13 30.63 2k33 s GLU 33 CO -0.00 0.34 0.00 0.00 0.95 0.00 0.00 175.26 176.55 2k33 n GLN 34 N 3.27 2.05 -0.81 -4.83 0.00 -1.17 -2.41 117.38 113.49 2k33 n GLN 34 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 57.00 56.83 2k33 n GLN 34 Cb 0.53 -0.82 0.00 0.00 0.00 0.00 0.00 30.24 29.94 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 -1.24 -0.78 -0.36 2.61 5.75 -1.14 -4.79 116.55 116.61 2k33 n ASP 35 Ca 0.00 0.00 0.13 0.00 -0.01 0.00 0.00 54.79 54.91 2k33 n ASP 35 Cb 0.00 -1.31 0.41 0.00 -1.03 0.00 0.00 41.12 39.19 2k33 n ASP 35 CO 0.00 0.00 0.00 1.67 -0.11 0.00 0.00 177.20 178.76 2k33 n GLN 36 N -1.84 1.19 -0.07 0.11 7.27 -1.26 -3.65 117.38 119.12 2k33 n GLN 36 Ca 0.00 -0.72 0.12 0.00 0.07 0.00 0.00 57.00 56.47 2k33 n GLN 36 Cb 0.04 -1.49 0.14 0.00 2.41 0.00 0.00 30.24 31.35 2k33 n GLN 36 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2k33 n ALA 37 N -0.28 2.44 -1.01 1.69 0.00 -1.26 -4.36 120.51 117.73 2k33 n ALA 37 Ca 0.15 -0.81 -0.25 0.00 0.00 0.00 0.00 53.44 52.53 2k33 n ALA 37 Cb 0.36 -0.83 0.09 0.00 0.00 0.00 0.00 19.45 19.07 2k33 n ALA 37 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2k33 n SER 38 N 1.41 5.99 -0.71 0.00 3.41 -1.24 -4.06 113.62 118.41 2k33 n SER 38 Ca 0.16 -3.41 0.08 0.00 -0.26 0.00 0.00 58.87 55.44 2k33 n SER 38 Cb 0.60 -0.93 0.11 0.00 -0.26 0.00 0.00 64.21 63.73 2k33 n SER 38 CO 0.00 0.00 0.00 2.29 -0.16 0.00 0.00 175.04 177.17 2k33 n LYS 39 N -0.53 1.63 0.00 4.33 0.00 -1.26 -4.64 118.16 117.69 2k33 n LYS 39 Ca 0.49 -1.67 0.00 0.00 -0.00 0.00 0.00 58.31 57.13 2k33 n LYS 39 Cb 0.89 -1.33 0.00 0.00 -0.00 0.00 0.00 35.03 34.60 2k33 n LYS 39 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 2k33 n ASP 40 N 0.92 0.00 0.01 -5.58 2.03 -1.26 -5.03 116.55 107.65 2k33 n ASP 40 Ca 0.11 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.42 2k33 n ASP 40 Cb 0.43 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.83 2k33 n ASP 40 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 2k33 n PHE 41 N 0.00 -1.03 -1.63 -0.67 3.01 -1.26 -5.10 117.46 110.78 2k33 n PHE 41 Ca 0.00 0.05 -0.49 0.00 1.01 0.00 0.00 57.45 58.01 2k33 n PHE 41 Cb 0.00 0.57 -0.05 0.00 -0.01 0.00 0.00 39.48 39.99 2k33 n PHE 41 CO 0.00 0.00 0.00 0.27 1.01 0.00 0.00 176.76 178.04 2k33 n ASN 42 N -2.55 2.39 -0.02 4.37 6.94 -1.26 -4.83 115.26 120.30 2k33 n ASN 42 Ca 0.00 1.09 0.16 0.00 -0.02 0.00 0.00 54.58 55.81 2k33 n ASN 42 Cb 0.00 -1.30 0.93 0.00 -2.36 0.00 0.00 39.78 37.05 2k33 n ASN 42 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 2k33 n ARG 43 N 3.22 1.00 -1.28 -3.83 1.74 -1.26 -5.01 116.66 111.24 2k33 n ARG 43 Ca 0.18 -0.03 0.00 0.00 -0.77 0.00 0.00 57.85 57.23 2k33 n ARG 43 Cb 0.23 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.18 2k33 n ARG 43 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 2k33 n SER 44 N -0.97 -7.06 -0.12 0.55 2.88 -1.26 -4.96 113.62 102.69 2k33 n SER 44 Ca 0.23 1.17 -0.22 0.00 -1.33 0.00 0.00 58.87 58.73 2k33 n SER 44 Cb 0.12 -3.77 -0.08 0.00 -0.75 0.00 0.00 64.21 59.73 2k33 n SER 44 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 2k33 n LYS 45 N -1.39 0.56 -3.33 -1.46 4.01 -1.26 -5.01 118.16 110.28 2k33 n LYS 45 Ca 0.00 0.34 -0.18 0.00 -0.51 0.00 0.00 58.31 57.95 2k33 n LYS 45 Cb 0.12 -1.55 0.00 0.00 -0.51 0.00 0.00 35.03 33.10 2k33 n LYS 45 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2k33 s ALA 46 N -2.59 4.31 -0.17 7.82 0.00 -1.26 -5.12 121.76 124.75 2k33 s ALA 46 Ca -0.33 -1.51 -0.05 0.00 0.00 0.00 0.00 51.96 50.07 2k33 s ALA 46 Cb 0.10 -1.67 0.08 0.00 0.00 0.00 0.00 23.12 21.63 2k33 s ALA 46 CO 0.47 -0.11 0.31 -0.51 0.00 0.00 0.00 175.76 175.93 2k33 s LEU 47 N -4.23 -0.41 0.00 0.00 1.02 -1.26 -5.13 118.68 108.67 2k33 s LEU 47 Ca 0.48 0.54 0.00 0.00 0.02 0.00 0.00 54.13 55.16 2k33 s LEU 47 Cb -0.10 0.88 0.00 0.00 0.02 0.00 0.00 46.19 47.00 2k33 s LEU 47 CO 0.32 -0.26 0.00 2.22 0.02 0.00 0.00 176.35 178.65 2k33 n PHE 48 N 5.36 -0.76 -1.13 0.29 1.16 -1.26 -4.97 117.46 116.14 2k33 n PHE 48 Ca -0.06 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.52 2k33 n PHE 48 Cb 0.50 0.04 0.00 0.00 -1.61 0.00 0.00 39.48 38.41 2k33 n PHE 48 CO 0.00 0.00 0.00 0.43 -1.87 0.00 0.00 176.76 175.32 2k33 n SER 49 N -3.84 -6.17 -0.08 5.98 7.64 -1.26 -4.62 113.62 111.27 2k33 n SER 49 Ca 0.00 1.23 0.00 0.00 1.01 0.00 0.00 58.87 61.11 2k33 n SER 49 Cb 0.00 -3.32 0.00 0.00 -1.01 0.00 0.00 64.21 59.88 2k33 n SER 49 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2k33 n GLN 50 N -1.95 0.00 -1.07 1.43 10.64 -1.26 -2.63 117.38 122.54 2k33 n GLN 50 Ca 0.00 0.00 -0.32 0.00 -1.83 0.00 0.00 57.00 54.85 2k33 n GLN 50 Cb 0.26 0.00 -0.02 0.00 -0.86 0.00 0.00 30.24 29.61 2k33 n GLN 50 CO 0.00 0.00 0.00 0.43 -1.83 0.00 0.00 177.06 175.66 2k33 n SER 51 N -3.77 7.03 -0.32 2.61 7.64 -1.26 -4.63 113.62 120.91 2k33 n SER 51 Ca 0.00 -2.47 0.06 0.00 1.01 0.00 0.00 58.87 57.47 2k33 n SER 51 Cb 0.00 -1.36 0.21 0.00 -1.01 0.00 0.00 64.21 62.05 2k33 n SER 51 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2k33 h ALA 52 N 5.60 1.33 -1.58 -0.43 0.00 -1.76 -3.44 119.26 118.98 2k33 h ALA 52 Ca 0.71 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.66 2k33 h ALA 52 Cb 0.24 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.90 2k33 h ALA 52 CO 1.65 0.09 0.00 -0.89 0.00 0.00 0.00 179.25 180.10 2k33 n ILE 53 N -4.73 0.00 -2.60 0.00 5.41 -1.26 -4.74 119.36 111.43 2k33 n ILE 53 Ca 0.17 0.00 -0.03 0.00 1.00 0.00 0.00 62.75 63.89 2k33 n ILE 53 Cb 0.35 0.00 -0.02 0.00 -0.71 0.00 0.00 39.64 39.26 2k33 n ILE 53 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 176.55 176.31 2k33 n SER 54 N -1.71 -4.40 0.24 4.38 2.88 -1.26 -3.66 113.62 110.09 2k33 n SER 54 Ca 0.00 1.33 0.18 0.00 -1.33 0.00 0.00 58.87 59.05 2k33 n SER 54 Cb 0.00 -5.11 0.81 0.00 -0.75 0.00 0.00 64.21 59.16 2k33 n SER 54 CO 0.00 0.00 0.00 -0.61 -1.23 0.00 0.00 175.04 173.20 2k33 h GLN 55 N 3.35 0.00 -0.84 -1.46 4.15 -2.00 0.49 115.11 118.80 2k33 h GLN 55 Ca -0.25 0.00 0.21 0.00 0.77 0.00 0.00 58.65 59.38 2k33 h GLN 55 Cb 0.56 0.00 -0.13 0.00 0.21 0.00 0.00 27.48 28.12 2k33 h GLN 55 CO 0.06 0.00 0.24 1.57 -1.93 0.00 0.00 178.83 178.77 2k33 h LYS 56 N 0.00 0.25 0.00 1.69 2.10 -2.06 -3.28 116.57 115.27 2k33 h LYS 56 Ca 0.08 -0.02 -0.11 0.00 -2.00 0.00 0.00 60.65 58.60 2k33 h LYS 56 Cb 0.78 -0.06 -0.18 0.00 -0.90 0.00 0.00 32.23 31.88 2k33 h LYS 56 CO -0.00 0.17 -0.49 0.39 -2.00 0.00 0.00 179.45 177.51 2k33 n GLU 57 N -5.18 0.00 -1.48 0.07 1.02 -0.70 -5.13 120.64 109.25 2k33 n GLU 57 Ca 0.19 -1.16 -0.39 0.00 -0.02 0.00 0.00 57.16 55.78 2k33 n GLU 57 Cb 0.61 0.18 0.03 0.00 -0.02 0.00 0.00 31.44 32.24 2k33 n GLU 57 CO 0.00 0.00 0.00 2.48 1.18 0.00 0.00 177.13 180.79 2k33 n TYR 58 N 0.15 -0.47 -3.50 -0.32 4.11 0.16 -5.01 117.16 112.29 2k33 n TYR 58 Ca -0.11 0.48 0.00 0.00 -0.00 0.00 0.00 57.90 58.27 2k33 n TYR 58 Cb 0.81 -1.99 0.00 0.00 -0.00 0.00 0.00 39.34 38.16 2k33 n TYR 58 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 176.86 176.61 2k33 n ASP 59 N 0.63 1.32 0.13 9.48 8.00 -1.26 -5.01 116.55 129.83 2k33 n ASP 59 Ca 0.11 -0.50 0.12 0.00 0.71 0.00 0.00 54.79 55.23 2k33 n ASP 59 Cb 0.45 0.00 0.04 0.00 -0.02 0.00 0.00 41.12 41.59 2k33 n ASP 59 CO 0.00 0.00 0.00 -1.28 -0.39 0.00 0.00 177.20 175.53 2k33 h SER 60 N 0.00 0.00 -0.89 -2.24 0.87 -1.94 -3.34 113.55 106.01 2k33 h SER 60 Ca 0.00 -0.00 0.19 0.00 -1.23 0.00 0.00 61.79 60.74 2k33 h SER 60 Cb 0.00 0.00 -0.07 0.00 -0.44 0.00 0.00 62.40 61.89 2k33 h SER 60 CO 0.00 0.00 0.58 -1.28 -0.53 0.00 0.00 176.83 175.60 2k33 h SER 61 N 0.00 0.45 -0.20 6.23 0.87 -1.97 0.48 113.55 119.42 2k33 h SER 61 Ca 0.00 0.04 -0.17 0.00 -1.23 0.00 0.00 61.79 60.43 2k33 h SER 61 Cb 0.99 -0.04 -0.00 0.00 -0.44 0.00 0.00 62.40 62.91 2k33 h SER 61 CO 0.00 0.19 -0.52 0.17 -0.53 0.00 0.00 176.83 176.14 2k33 h LEU 62 N 0.46 0.86 -9.52 2.23 8.10 -1.85 -3.43 115.31 112.15 2k33 h LEU 62 Ca 0.46 -0.45 -0.53 0.00 0.11 0.00 0.00 57.88 57.47 2k33 h LEU 62 Cb 1.06 -0.25 0.02 0.00 -0.44 0.00 0.00 40.66 41.05 2k33 h LEU 62 CO -0.18 1.22 0.78 0.00 -4.11 0.00 0.00 178.44 176.15 2k33 s ALA 63 N -4.13 3.62 1.06 0.17 0.00 0.16 -4.92 121.76 117.72 2k33 s ALA 63 Ca -0.10 1.12 -0.05 0.00 0.00 0.00 0.00 51.96 52.93 2k33 s ALA 63 Cb 0.11 -3.57 0.08 0.00 0.00 0.00 0.00 23.12 19.74 2k33 s ALA 63 CO 0.87 -0.71 0.17 0.25 0.00 0.00 0.00 175.76 176.35 2k33 n THR 64 N 4.11 0.00 -3.80 0.00 -2.24 -1.26 -4.98 114.28 106.11 2k33 n THR 64 Ca 0.12 0.00 -0.28 0.00 -2.27 0.00 0.00 64.05 61.62 2k33 n THR 64 Cb 0.42 -0.19 -0.12 0.00 -2.10 0.00 0.00 70.33 68.33 2k33 n THR 64 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2k33 s LEU 65 N 0.00 3.85 0.16 3.22 1.43 -1.26 -4.89 118.68 121.19 2k33 s LEU 65 Ca 0.13 -3.39 -0.30 0.00 -1.03 0.00 0.00 54.13 49.54 2k33 s LEU 65 Cb -0.02 -1.35 -0.07 0.00 0.03 0.00 0.00 46.19 44.78 2k33 s LEU 65 CO 0.11 -0.15 1.11 -1.81 0.23 0.00 0.00 176.35 175.84 2k33 s ASP 66 N -0.73 7.23 0.31 2.29 1.11 -1.26 -4.94 116.67 120.68 2k33 s ASP 66 Ca 0.24 2.07 0.09 0.00 0.18 0.00 0.00 52.55 55.14 2k33 s ASP 66 Cb -0.10 -2.60 -0.05 0.00 1.07 0.00 0.00 42.92 41.24 2k33 s ASP 66 CO -0.12 -0.26 0.00 -1.00 1.18 0.00 0.00 175.17 174.97 2k33 s HIS 67 N -0.02 2.60 -0.18 4.23 3.76 -1.26 -2.87 115.29 121.54 2k33 s HIS 67 Ca 0.51 -0.34 -0.03 0.00 -0.15 0.00 0.00 55.06 55.06 2k33 s HIS 67 Cb -0.29 -1.34 0.06 0.00 1.11 0.00 0.00 32.58 32.11 2k33 s HIS 67 CO 0.34 0.54 0.03 0.99 -0.85 0.00 0.00 174.74 175.79 2k33 s THR 68 N -2.43 0.53 0.07 1.30 2.01 0.12 -4.96 115.64 112.28 2k33 s THR 68 Ca 0.33 -0.52 -0.31 0.00 0.31 0.00 0.00 61.69 61.51 2k33 s THR 68 Cb -0.03 -1.01 -0.08 0.00 0.01 0.00 0.00 72.50 71.39 2k33 s THR 68 CO 0.20 -0.17 1.53 -1.83 -0.69 0.00 0.00 174.62 173.66 2k33 s GLU 69 N 1.86 4.24 -0.49 4.92 -1.05 -1.26 -2.07 118.70 124.85 2k33 s GLU 69 Ca -0.01 2.19 -0.24 0.00 -0.15 0.00 0.00 54.97 56.77 2k33 s GLU 69 Cb -0.17 -3.48 0.03 0.00 -0.44 0.00 0.00 34.13 30.07 2k33 s GLU 69 CO -0.08 -0.63 0.87 0.42 0.95 0.00 0.00 175.26 176.79 2k33 s ILE 70 N 2.15 4.53 0.47 1.83 1.09 0.12 -4.96 121.20 126.43 2k33 s ILE 70 Ca 0.69 0.41 0.00 0.00 -1.10 0.00 0.00 60.65 60.65 2k33 s ILE 70 Cb -0.37 -4.42 0.00 0.00 -1.06 0.00 0.00 42.46 36.60 2k33 s ILE 70 CO 0.30 -0.89 0.70 -1.59 -0.10 0.00 0.00 174.94 173.36 2k33 s LYS 71 N 3.60 3.00 0.41 2.79 -2.85 -1.26 -0.69 119.74 124.74 2k33 s LYS 71 Ca 0.31 -0.49 -0.26 0.00 -1.00 0.00 0.00 55.97 54.53 2k33 s LYS 71 Cb -0.12 -2.53 -0.09 0.00 -2.06 0.00 0.00 37.83 33.03 2k33 s LYS 71 CO 0.22 -0.34 1.35 0.00 0.10 0.00 0.00 175.35 176.68 2k33 s ALA 72 N -2.60 3.30 0.03 0.59 0.00 -0.54 -4.77 121.76 117.76 2k33 s ALA 72 Ca 0.50 1.32 -0.21 0.00 0.00 0.00 0.00 51.96 53.57 2k33 s ALA 72 Cb -0.10 -3.52 -0.15 0.00 0.00 0.00 0.00 23.12 19.34 2k33 s ALA 72 CO 0.38 -0.93 1.33 -1.00 0.00 0.00 0.00 175.76 175.55 2k33 h PRO 73 N 2.66 0.29 0.00 0.00 0.13 -1.93 -2.18 132.00 130.97 2k33 h PRO 73 Ca -0.50 -0.15 0.00 0.00 -0.87 0.00 0.00 66.00 64.48 2k33 h PRO 73 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 2k33 h PRO 73 CO 0.62 0.69 0.00 1.97 -0.23 0.00 0.00 178.00 181.05 2k33 n PHE 74 N -4.61 0.00 -0.30 1.56 1.16 -1.26 -4.80 117.46 109.20 2k33 n PHE 74 Ca -0.07 0.00 0.04 0.00 -1.87 0.00 0.00 57.45 55.55 2k33 n PHE 74 Cb 0.34 0.12 -0.02 0.00 -1.61 0.00 0.00 39.48 38.31 2k33 n PHE 74 CO 0.00 0.00 0.00 -0.40 -1.87 0.00 0.00 176.76 174.49 2k33 n ASP 75 N 0.00 -1.76 0.00 5.98 5.75 -1.26 -4.36 116.55 120.90 2k33 n ASP 75 Ca 0.00 0.25 0.00 0.00 -0.01 0.00 0.00 54.79 55.03 2k33 n ASP 75 Cb 0.49 -1.01 0.00 0.00 -1.03 0.00 0.00 41.12 39.57 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 -2.73 0.27 3.64 6.12 0.00 -1.11 -4.88 105.19 106.49 2k33 n GLY 76 Ca -0.01 -1.22 -0.35 0.00 0.00 0.00 0.00 46.02 44.44 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 4.72 0.05 2.61 2.01 -0.03 -0.98 115.64 120.03 2k33 s THR 77 Ca 0.00 -0.06 0.04 0.00 0.31 0.00 0.00 61.69 61.98 2k33 s THR 77 Cb 0.00 -3.11 -0.04 0.00 0.01 0.00 0.00 72.50 69.36 2k33 s THR 77 CO 0.00 0.48 -0.01 -0.51 -0.69 0.00 0.00 174.62 173.89 2k33 s ILE 78 N 0.22 4.00 0.00 1.82 2.07 -1.04 0.11 121.20 128.38 2k33 s ILE 78 Ca 0.04 -0.86 0.00 0.00 -1.41 0.00 0.00 60.65 58.42 2k33 s ILE 78 Cb -0.12 -2.85 0.00 0.00 0.13 0.00 0.00 42.46 39.61 2k33 s ILE 78 CO 0.01 0.22 0.00 0.61 -1.91 0.00 0.00 174.94 173.87 2k33 n GLY 79 N 0.92 3.19 3.87 1.50 0.00 -0.99 -1.86 105.19 111.81 2k33 n GLY 79 Ca -0.12 -1.89 -0.30 0.00 0.00 0.00 0.00 46.02 43.71 2k33 n GLY 79 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2k33 s ASP 80 N -0.28 2.72 0.04 1.61 2.15 -1.26 -3.99 116.67 117.66 2k33 s ASP 80 Ca 0.00 0.33 0.01 0.00 0.43 0.00 0.00 52.55 53.32 2k33 s ASP 80 Cb 0.00 -0.41 -0.04 0.00 -0.30 0.00 0.00 42.92 42.17 2k33 s ASP 80 CO 0.00 -2.98 0.11 0.00 -0.17 0.00 0.00 175.17 172.12 2k33 s ALA 81 N -3.73 3.67 -0.19 3.66 0.00 -1.26 -4.40 121.76 119.51 2k33 s ALA 81 Ca 0.73 -0.92 -0.15 0.00 0.00 0.00 0.00 51.96 51.63 2k33 s ALA 81 Cb -0.05 -1.58 -0.08 0.00 0.00 0.00 0.00 23.12 21.42 2k33 s ALA 81 CO 0.54 0.74 -0.22 1.28 0.00 0.00 0.00 175.76 178.10 2k33 n LEU 82 N 0.72 1.89 -4.95 0.00 4.77 -0.53 -5.01 117.00 113.89 2k33 n LEU 82 Ca -0.10 0.45 -0.22 0.00 -0.03 0.00 0.00 56.01 56.11 2k33 n LEU 82 Cb 0.52 -0.83 0.01 0.00 -2.33 0.00 0.00 43.42 40.79 2k33 n LEU 82 CO 0.43 -0.14 0.14 0.68 -1.33 0.00 0.00 177.39 177.17 2k33 s VAL 83 N -2.55 2.13 0.28 4.08 -7.23 -1.26 -5.11 120.40 110.74 2k33 s VAL 83 Ca -0.26 -1.27 0.01 0.00 -1.81 0.00 0.00 61.98 58.66 2k33 s VAL 83 Cb 0.05 -2.40 0.01 0.00 0.56 0.00 0.00 36.38 34.60 2k33 s VAL 83 CO 0.39 0.00 0.10 0.59 -0.31 0.00 0.00 175.10 175.87 2k33 n ASN 84 N -1.87 2.36 -4.82 4.85 3.02 -1.26 -5.05 115.26 112.49 2k33 n ASN 84 Ca 0.06 -2.10 -0.32 0.00 -0.03 0.00 0.00 54.58 52.19 2k33 n ASN 84 Cb 0.62 0.09 0.03 0.00 -0.61 0.00 0.00 39.78 39.91 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 -1.72 4.02 0.00 2.41 1.01 -1.26 -3.72 121.20 121.94 2k33 s ILE 85 Ca 0.08 0.77 0.00 0.00 0.00 0.00 0.00 60.65 61.50 2k33 s ILE 85 Cb -0.01 -3.44 0.00 0.00 0.01 0.00 0.00 42.46 39.03 2k33 s ILE 85 CO 0.05 -0.74 0.00 0.61 0.00 0.00 0.00 174.94 174.86 2k33 n GLY 86 N -1.66 0.85 3.60 6.18 0.00 -1.01 -5.00 105.19 108.14 2k33 n GLY 86 Ca 0.08 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.71 2k33 n GLY 86 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2k33 s ASP 87 N -2.87 6.12 0.06 1.61 1.11 -1.24 -4.86 116.67 116.60 2k33 s ASP 87 Ca 0.00 0.11 -0.30 0.00 0.18 0.00 0.00 52.55 52.53 2k33 s ASP 87 Cb 0.00 -2.16 -0.09 0.00 1.07 0.00 0.00 42.92 41.74 2k33 s ASP 87 CO 0.00 -0.11 1.93 -0.47 1.18 0.00 0.00 175.17 177.71 2k33 s TYR 88 N 1.89 1.51 0.17 4.23 6.14 -1.26 -2.40 117.35 127.63 2k33 s TYR 88 Ca 0.10 -0.35 -0.06 0.00 0.64 0.00 0.00 57.07 57.40 2k33 s TYR 88 Cb -0.16 -4.23 -0.06 0.00 0.42 0.00 0.00 41.96 37.93 2k33 s TYR 88 CO 0.11 -5.41 0.42 0.14 0.64 0.00 0.00 175.55 171.45 2k33 s VAL 89 N 3.99 5.10 -0.66 3.14 -7.23 0.17 -4.91 120.40 120.01 2k33 s VAL 89 Ca 0.87 0.13 -0.10 0.00 -1.81 0.00 0.00 61.98 61.07 2k33 s VAL 89 Cb -0.44 -3.63 0.17 0.00 0.56 0.00 0.00 36.38 33.05 2k33 s VAL 89 CO 0.40 -0.00 0.55 -0.44 -0.31 0.00 0.00 175.10 175.30 2k33 s SER 90 N -2.45 6.05 0.20 4.85 0.01 -1.26 -2.60 113.70 118.49 2k33 s SER 90 Ca 0.43 -2.45 0.00 0.00 1.31 0.00 0.00 55.95 55.24 2k33 s SER 90 Cb -0.12 -2.07 0.00 0.00 0.21 0.00 0.00 66.02 64.04 2k33 s SER 90 CO 0.24 -0.58 0.00 0.00 0.41 0.00 0.00 173.24 173.31 2k33 n ALA 91 N 4.21 0.00 1.11 1.44 0.00 -1.23 -1.20 120.51 124.84 2k33 n ALA 91 Ca 0.04 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.58 2k33 n ALA 91 Cb 0.42 0.00 0.55 0.00 0.00 0.00 0.00 19.45 20.42 2k33 n ALA 91 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2k33 n SER 92 N -3.80 0.00 0.23 0.00 2.88 -1.26 -2.62 113.62 109.05 2k33 n SER 92 Ca 0.00 -0.39 0.13 0.00 -1.33 0.00 0.00 58.87 57.27 2k33 n SER 92 Cb 0.00 -0.10 0.41 0.00 -0.75 0.00 0.00 64.21 63.77 2k33 n SER 92 CO 0.00 0.00 0.00 0.74 -1.23 0.00 0.00 175.04 174.55 2k33 h THR 93 N 0.00 0.21 -1.89 2.46 2.02 -1.49 -3.43 112.91 110.79 2k33 h THR 93 Ca 0.00 -0.96 -0.49 0.00 0.77 0.00 0.00 66.41 65.73 2k33 h THR 93 Cb 0.06 1.81 -0.02 0.00 -1.74 0.00 0.00 68.15 68.26 2k33 h THR 93 CO 0.00 0.10 1.44 0.28 0.37 0.00 0.00 175.52 177.70 2k33 s THR 94 N -3.45 3.25 -0.94 3.16 -1.32 -0.90 -4.91 115.64 110.53 2k33 s THR 94 Ca 0.03 0.15 -0.15 0.00 -1.21 0.00 0.00 61.69 60.51 2k33 s THR 94 Cb 0.08 -3.66 0.19 0.00 -1.51 0.00 0.00 72.50 67.60 2k33 s THR 94 CO 0.62 -0.64 1.00 -1.83 -2.21 0.00 0.00 174.62 171.56 2k33 s GLU 95 N 7.38 3.72 -0.13 7.08 -1.05 -1.26 -4.61 118.70 129.83 2k33 s GLU 95 Ca 0.76 -2.32 -0.08 0.00 -0.15 0.00 0.00 54.97 53.18 2k33 s GLU 95 Cb -0.14 -4.68 -0.05 0.00 -0.44 0.00 0.00 34.13 28.82 2k33 s GLU 95 CO 0.22 -1.50 0.00 1.37 0.95 0.00 0.00 175.26 176.31 2k33 h LEU 96 N 8.75 0.00 -8.85 1.83 -0.00 -1.91 -3.46 115.31 111.66 2k33 h LEU 96 Ca 0.15 -0.12 -0.69 0.00 -0.00 0.00 0.00 57.88 57.22 2k33 h LEU 96 Cb 1.00 0.00 -0.23 0.00 -0.00 0.00 0.00 40.66 41.42 2k33 h LEU 96 CO 0.95 0.73 -0.87 0.54 -0.00 0.00 0.00 178.44 179.80 2k33 s VAL 97 N -1.97 2.21 0.16 0.15 0.11 -1.26 -1.45 120.40 118.34 2k33 s VAL 97 Ca -0.10 -1.64 0.06 0.00 -2.93 0.00 0.00 61.98 57.37 2k33 s VAL 97 Cb 0.01 -1.94 -0.04 0.00 -1.53 0.00 0.00 36.38 32.89 2k33 s VAL 97 CO 0.20 0.17 0.06 -0.60 -3.33 0.00 0.00 175.10 171.60 2k33 s ARG 98 N -1.80 2.65 -0.03 1.54 3.00 -1.26 -1.92 118.95 121.13 2k33 s ARG 98 Ca 0.13 -0.97 0.06 0.00 -1.00 0.00 0.00 55.73 53.96 2k33 s ARG 98 Cb -0.10 -2.51 -0.01 0.00 0.00 0.00 0.00 34.95 32.33 2k33 s ARG 98 CO 0.05 0.48 -0.22 0.08 0.00 0.00 0.00 175.30 175.69 2k33 s VAL 99 N -1.69 1.76 0.39 7.11 1.01 0.12 -2.35 120.40 126.75 2k33 s VAL 99 Ca 0.29 -0.93 0.04 0.00 0.00 0.00 0.00 61.98 61.38 2k33 s VAL 99 Cb -0.10 -1.48 -0.06 0.00 0.00 0.00 0.00 36.38 34.75 2k33 s VAL 99 CO 0.21 0.50 0.04 0.42 0.00 0.00 0.00 175.10 176.27 2k33 s THR 100 N -0.34 1.37 -0.48 3.92 -4.23 0.12 -2.34 115.64 113.66 2k33 s THR 100 Ca 0.04 -2.00 -0.03 0.00 -1.18 0.00 0.00 61.69 58.52 2k33 s THR 100 Cb -0.10 -2.71 -0.03 0.00 1.34 0.00 0.00 72.50 70.99 2k33 s THR 100 CO 0.01 0.00 0.42 -3.20 -0.54 0.00 0.00 174.62 171.31 2k33 n ASN 101 N -0.94 -4.21 -3.71 3.99 5.15 -1.26 -0.85 115.26 113.43 2k33 n ASN 101 Ca -0.06 -0.31 -0.16 0.00 -0.60 0.00 0.00 54.58 53.45 2k33 n ASN 101 Cb 0.67 -2.72 -0.09 0.00 -0.53 0.00 0.00 39.78 37.11 2k33 n ASN 101 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 2k33 s LEU 102 N -4.02 1.44 0.82 1.20 2.01 -1.26 -4.46 118.68 114.41 2k33 s LEU 102 Ca 0.20 -1.58 -0.15 0.00 0.01 0.00 0.00 54.13 52.61 2k33 s LEU 102 Cb -0.03 0.55 -0.01 0.00 0.01 0.00 0.00 46.19 46.71 2k33 s LEU 102 CO 0.35 -0.98 0.45 -0.46 1.01 0.00 0.00 176.35 176.71 2k33 n ASN 103 N -0.99 -1.67 -4.56 2.29 6.94 -1.26 -4.79 115.26 111.22 2k33 n ASN 103 Ca 0.05 0.47 -0.30 0.00 -0.02 0.00 0.00 54.58 54.78 2k33 n ASN 103 Cb 0.64 -1.20 -0.05 0.00 -2.36 0.00 0.00 39.78 36.81 2k33 n ASN 103 CO 0.00 0.00 0.00 -2.16 -1.03 0.00 0.00 177.26 174.07 2k33 s PRO 104 N -3.11 2.57 -0.02 -0.53 0.04 -1.26 -4.82 135.00 127.88 2k33 s PRO 104 Ca 0.61 -0.06 -0.28 0.00 0.04 0.00 0.00 61.00 61.31 2k33 s PRO 104 Cb -0.29 -4.89 -0.03 0.00 0.04 0.00 0.00 34.50 29.33 2k33 s PRO 104 CO 0.62 -3.21 0.91 0.42 0.04 0.00 0.00 177.00 175.78 2k33 s ILE 105 N 9.82 4.91 -0.42 0.56 -1.09 -1.26 -5.00 121.20 128.71 2k33 s ILE 105 Ca 0.69 1.90 0.07 0.00 -2.23 0.00 0.00 60.65 61.08 2k33 s ILE 105 Cb -0.08 -4.25 0.18 0.00 -1.58 0.00 0.00 42.46 36.73 2k33 s ILE 105 CO 0.05 0.18 0.60 -0.31 -1.23 0.00 0.00 174.94 174.22 2k33 s TYR 106 N 1.00 -1.42 -0.31 3.97 2.02 -1.26 -5.06 117.35 116.30 2k33 s TYR 106 Ca 0.48 -0.13 -0.13 0.00 -0.37 0.00 0.00 57.07 56.92 2k33 s TYR 106 Cb -0.20 0.17 0.19 0.00 -0.40 0.00 0.00 41.96 41.72 2k33 s TYR 106 CO 0.25 -1.16 1.13 0.00 -1.57 0.00 0.00 175.55 174.21 2k33 s ALA 107 N 1.55 -4.86 0.07 3.71 0.00 -1.26 -5.17 121.76 115.79 2k33 s ALA 107 Ca 0.19 1.50 0.05 0.00 0.00 0.00 0.00 51.96 53.70 2k33 s ALA 107 Cb -0.05 -3.07 -0.03 0.00 0.00 0.00 0.00 23.12 19.97 2k33 s ALA 107 CO -0.06 -2.54 -0.13 0.34 0.00 0.00 0.00 175.76 173.36 2k33 s ASP 108 N 2.02 1.53 0.00 0.00 2.15 -1.26 -5.04 116.67 116.06 2k33 s ASP 108 Ca 0.15 -0.60 0.00 0.00 0.43 0.00 0.00 52.55 52.52 2k33 s ASP 108 Cb 0.04 -0.03 0.00 0.00 -0.30 0.00 0.00 42.92 42.63 2k33 s ASP 108 CO -0.17 -0.10 0.00 0.61 -0.17 0.00 0.00 175.17 175.34 2k33 n GLY 109 N 1.31 0.00 0.12 2.66 0.00 -1.26 -5.02 105.19 103.00 2k33 n GLY 109 Ca -0.21 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.64 2k33 n GLY 109 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2k33 n SER 110 N 0.00 1.53 -1.24 1.61 7.64 -1.26 -5.10 113.62 116.81 2k33 n SER 110 Ca 0.00 0.05 0.16 0.00 1.01 0.00 0.00 58.87 60.09 2k33 n SER 110 Cb 0.00 -0.24 -0.05 0.00 -1.01 0.00 0.00 64.21 62.91 2k33 n SER 110 CO 0.00 0.00 0.00 1.57 -3.01 0.00 0.00 175.04 173.60 2k33 n HIS 111 N -3.20 -3.14 -3.44 1.43 -0.00 -1.26 -4.86 115.22 100.75 2k33 n HIS 111 Ca -0.36 1.59 -0.23 0.00 0.46 0.00 0.00 57.72 59.18 2k33 n HIS 111 Cb 1.04 -2.85 -0.11 0.00 -0.12 0.00 0.00 29.99 27.96 2k33 n HIS 111 CO 0.00 0.00 0.00 -1.01 0.46 0.00 0.00 176.34 175.79 2k33 s HIS 112 N -2.43 0.09 0.17 1.57 3.76 -1.26 -5.12 115.29 112.07 2k33 s HIS 112 Ca 0.00 -0.91 -0.16 0.00 -0.15 0.00 0.00 55.06 53.83 2k33 s HIS 112 Cb 0.00 -0.67 0.06 0.00 1.11 0.00 0.00 32.58 33.08 2k33 s HIS 112 CO 0.00 -0.89 0.79 1.58 -0.85 0.00 0.00 174.74 175.37 2k33 n HIS 113 N 4.66 -1.34 -0.96 1.40 -0.00 -1.26 -5.16 115.22 112.57 2k33 n HIS 113 Ca 0.04 -1.09 -0.34 0.00 0.46 0.00 0.00 57.72 56.80 2k33 n HIS 113 Cb 0.42 0.53 0.10 0.00 -0.12 0.00 0.00 29.99 30.93 2k33 n HIS 113 CO 0.00 0.00 0.00 -2.39 0.46 0.00 0.00 176.34 174.41 2k33 n HIS 114 N -0.55 -1.18 -1.67 1.57 1.44 -1.26 -4.80 115.22 108.77 2k33 n HIS 114 Ca -0.03 0.27 -0.45 0.00 -2.01 0.00 0.00 57.72 55.51 2k33 n HIS 114 Cb 0.47 -1.83 -0.04 0.00 0.12 0.00 0.00 29.99 28.70 2k33 n HIS 114 CO 0.00 0.00 0.00 -2.39 -2.81 0.00 0.00 176.34 171.14 2k33 n HIS 115 N -3.19 2.42 -1.66 -1.40 1.44 -1.26 -5.22 115.22 106.34 2k33 n HIS 115 Ca 0.08 -0.20 0.00 0.00 -2.01 0.00 0.00 57.72 55.59 2k33 n HIS 115 Cb 0.52 -2.74 0.00 0.00 0.12 0.00 0.00 29.99 27.89 2k33 n HIS 115 CO 0.00 0.00 0.00 -2.39 -2.81 0.00 0.00 176.34 171.14