#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 0.60 -0.17 2.53 1.01 -0.97 -4.94 120.40 118.46 2k33 s VAL 2 Ca 0.00 -0.69 -0.06 0.00 0.00 0.00 0.00 61.98 61.23 2k33 s VAL 2 Cb 0.00 -0.58 -0.04 0.00 0.00 0.00 0.00 36.38 35.77 2k33 s VAL 2 CO 0.00 -0.08 0.02 -0.63 0.00 0.00 0.00 175.10 174.41 2k33 s ILE 3 N -0.72 4.43 -0.19 2.22 1.01 -1.26 -0.43 121.20 126.25 2k33 s ILE 3 Ca -0.02 -0.16 -0.29 0.00 0.00 0.00 0.00 60.65 60.17 2k33 s ILE 3 Cb -0.06 -2.98 -0.00 0.00 0.01 0.00 0.00 42.46 39.43 2k33 s ILE 3 CO 0.00 0.48 1.15 -0.63 0.00 0.00 0.00 174.94 175.94 2k33 s ILE 4 N 0.34 4.49 0.20 2.92 1.01 -0.38 -4.92 121.20 124.85 2k33 s ILE 4 Ca 0.00 1.79 0.07 0.00 0.00 0.00 0.00 60.65 62.52 2k33 s ILE 4 Cb -0.13 -4.16 -0.05 0.00 0.01 0.00 0.00 42.46 38.13 2k33 s ILE 4 CO 0.01 -0.15 -0.13 -0.54 0.00 0.00 0.00 174.94 174.13 2k33 s LYS 5 N 3.29 1.31 0.54 2.79 1.02 -1.26 -3.68 119.74 123.76 2k33 s LYS 5 Ca 0.49 -1.59 0.33 0.00 0.02 0.00 0.00 55.97 55.22 2k33 s LYS 5 Cb -0.18 -1.05 1.36 0.00 -0.52 0.00 0.00 37.83 37.43 2k33 s LYS 5 CO 0.11 0.16 1.98 -1.00 -0.92 0.00 0.00 175.35 175.68 2k33 h PRO 6 N 2.56 0.00 0.00 -1.68 0.13 -1.79 -3.47 132.00 127.76 2k33 h PRO 6 Ca -0.38 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.75 2k33 h PRO 6 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 2k33 h PRO 6 CO 0.63 0.04 0.00 0.00 -0.23 0.00 0.00 178.00 178.43 2k33 n GLN 7 N -3.15 0.00 -4.40 0.86 10.64 -1.26 -4.88 117.38 115.20 2k33 n GLN 7 Ca 0.00 0.00 -0.22 0.00 -1.83 0.00 0.00 57.00 54.95 2k33 n GLN 7 Cb 0.31 -0.08 -0.08 0.00 -0.86 0.00 0.00 30.24 29.53 2k33 n GLN 7 CO 0.00 0.00 0.00 0.14 -1.83 0.00 0.00 177.06 175.37 2k33 s VAL 8 N 0.00 0.33 -0.22 -0.39 -7.23 -1.26 -4.26 120.40 107.37 2k33 s VAL 8 Ca 0.00 -2.00 -0.14 0.00 -1.81 0.00 0.00 61.98 58.03 2k33 s VAL 8 Cb 0.00 -2.43 -0.04 0.00 0.56 0.00 0.00 36.38 34.46 2k33 s VAL 8 CO 0.00 0.00 0.32 -0.94 -0.31 0.00 0.00 175.10 174.17 2k33 s SER 9 N -3.47 6.32 0.00 4.85 1.04 -1.26 -1.08 113.70 120.10 2k33 s SER 9 Ca 0.32 0.37 0.00 0.00 0.48 0.00 0.00 55.95 57.12 2k33 s SER 9 Cb 0.03 -2.19 0.00 0.00 0.10 0.00 0.00 66.02 63.96 2k33 s SER 9 CO 0.19 -0.03 0.00 0.61 0.98 0.00 0.00 173.24 174.99 2k33 n GLY 10 N 4.07 2.68 2.88 7.32 0.00 -0.98 -4.67 105.19 116.48 2k33 n GLY 10 Ca -0.11 -0.13 -0.14 0.00 0.00 0.00 0.00 46.02 45.65 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 0.09 -0.04 0.27 1.61 1.01 -0.98 -0.10 120.40 122.26 2k33 s VAL 11 Ca 0.00 0.16 -0.30 0.00 0.00 0.00 0.00 61.98 61.84 2k33 s VAL 11 Cb 0.00 -0.17 -0.12 0.00 0.00 0.00 0.00 36.38 36.09 2k33 s VAL 11 CO 0.00 0.07 1.49 -0.38 0.00 0.00 0.00 175.10 176.28 2k33 n ILE 12 N 3.98 1.06 -0.05 2.22 2.08 -1.00 -2.56 119.36 125.09 2k33 n ILE 12 Ca -0.24 -0.26 -0.07 0.00 0.56 0.00 0.00 62.75 62.73 2k33 n ILE 12 Cb 0.53 -1.73 -0.05 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 1.91 0.61 -3.83 1.39 0.31 0.18 -2.05 118.33 116.85 2k33 n VAL 13 Ca 0.10 -0.24 -0.07 0.00 -0.01 0.00 0.00 64.34 64.12 2k33 n VAL 13 Cb 0.34 -0.87 0.01 0.00 -0.91 0.00 0.00 33.84 32.41 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 -4.94 -0.09 -0.15 4.52 2.47 -1.15 -4.85 114.94 110.75 2k33 s ASN 14 Ca -0.13 -0.82 -0.05 0.00 0.42 0.00 0.00 52.86 52.28 2k33 s ASN 14 Cb 0.04 0.71 0.06 0.00 -1.45 0.00 0.00 41.25 40.60 2k33 s ASN 14 CO 0.25 -1.37 0.08 -1.59 -3.72 0.00 0.00 177.10 170.76 2k33 s LYS 15 N -2.85 0.06 -0.81 0.43 -2.85 -1.26 -1.67 119.74 110.78 2k33 s LYS 15 Ca 0.15 -0.03 -0.02 0.00 -1.00 0.00 0.00 55.97 55.07 2k33 s LYS 15 Cb -0.04 -1.66 0.36 0.00 -2.06 0.00 0.00 37.83 34.43 2k33 s LYS 15 CO 0.08 -0.62 2.00 1.28 0.10 0.00 0.00 175.35 178.19 2k33 n LEU 16 N 5.27 7.48 -4.24 2.77 4.77 0.18 -4.92 117.00 128.32 2k33 n LEU 16 Ca -0.07 -4.78 -0.15 0.00 -0.03 0.00 0.00 56.01 50.98 2k33 n LEU 16 Cb 0.49 -1.04 -0.09 0.00 -2.33 0.00 0.00 43.42 40.45 2k33 n LEU 16 CO 0.10 1.74 -0.19 0.72 -1.33 0.00 0.00 177.39 178.43 2k33 s PHE 17 N -4.03 1.40 0.19 -1.77 -0.71 -1.07 -4.15 117.98 107.84 2k33 s PHE 17 Ca 0.53 -1.49 0.06 0.00 -1.04 0.00 0.00 56.93 54.99 2k33 s PHE 17 Cb 0.45 -0.63 -0.05 0.00 -1.21 0.00 0.00 43.02 41.58 2k33 s PHE 17 CO -0.36 -0.73 -0.10 0.15 -1.34 0.00 0.00 175.22 172.84 2k33 s LYS 18 N -3.87 1.23 -0.53 1.99 -0.14 -1.26 -5.11 119.74 112.04 2k33 s LYS 18 Ca 0.40 -1.55 -0.24 0.00 -1.36 0.00 0.00 55.97 53.22 2k33 s LYS 18 Cb 0.05 -0.83 0.04 0.00 -1.68 0.00 0.00 37.83 35.42 2k33 s LYS 18 CO 0.18 0.08 0.90 0.00 -0.76 0.00 0.00 175.35 175.75 2k33 s ALA 19 N -3.20 3.20 0.00 5.17 0.00 -1.26 -3.68 121.76 121.99 2k33 s ALA 19 Ca 0.21 -1.26 0.00 0.00 0.00 0.00 0.00 51.96 50.92 2k33 s ALA 19 Cb 0.02 -3.67 0.00 0.00 0.00 0.00 0.00 23.12 19.47 2k33 s ALA 19 CO 0.05 -2.30 0.00 0.41 0.00 0.00 0.00 175.76 173.92 2k33 n GLY 20 N 5.11 0.83 4.03 0.00 0.00 -0.25 -4.91 105.19 110.00 2k33 n GLY 20 Ca 0.01 -0.50 -0.20 0.00 0.00 0.00 0.00 46.02 45.33 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 -2.48 4.96 0.20 1.61 1.11 -1.23 -4.89 116.67 115.96 2k33 s ASP 21 Ca 0.00 -0.80 -0.12 0.00 0.18 0.00 0.00 52.55 51.80 2k33 s ASP 21 Cb 0.00 0.30 -0.07 0.00 1.07 0.00 0.00 42.92 44.22 2k33 s ASP 21 CO 0.00 -1.45 0.57 -0.54 1.18 0.00 0.00 175.17 174.94 2k33 s LYS 22 N -4.75 3.91 0.13 8.23 1.02 -1.26 -2.46 119.74 124.56 2k33 s LYS 22 Ca 0.63 0.43 0.11 0.00 0.02 0.00 0.00 55.97 57.15 2k33 s LYS 22 Cb -0.05 -2.76 -0.04 0.00 -0.52 0.00 0.00 37.83 34.46 2k33 s LYS 22 CO 0.40 0.37 -0.27 0.08 -0.92 0.00 0.00 175.35 175.02 2k33 s VAL 23 N -1.67 2.24 0.25 3.17 1.01 0.89 -4.89 120.40 121.40 2k33 s VAL 23 Ca 0.44 -1.77 0.03 0.00 0.00 0.00 0.00 61.98 60.68 2k33 s VAL 23 Cb -0.13 -1.99 0.03 0.00 0.00 0.00 0.00 36.38 34.29 2k33 s VAL 23 CO 0.20 0.07 0.24 0.29 0.00 0.00 0.00 175.10 175.90 2k33 n LYS 24 N 0.88 1.04 -3.10 2.72 4.76 -1.26 -2.15 118.16 121.05 2k33 n LYS 24 Ca -0.18 -1.48 -0.45 0.00 -2.87 0.00 0.00 58.31 53.33 2k33 n LYS 24 Cb 0.53 0.08 -0.01 0.00 -1.84 0.00 0.00 35.03 33.79 2k33 n LYS 24 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 2k33 s LYS 25 N -3.05 3.94 0.00 1.97 1.02 -1.26 -2.62 119.74 119.73 2k33 s LYS 25 Ca 0.18 -2.54 0.00 0.00 0.02 0.00 0.00 55.97 53.63 2k33 s LYS 25 Cb -0.01 -4.81 0.00 0.00 -0.52 0.00 0.00 37.83 32.48 2k33 s LYS 25 CO 0.11 -1.57 0.00 0.41 -0.92 0.00 0.00 175.35 173.39 2k33 n GLY 26 N 4.05 1.19 3.74 -3.33 0.00 0.39 -4.90 105.19 106.32 2k33 n GLY 26 Ca 0.27 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.28 4.76 0.23 1.61 -0.44 -1.26 -4.37 119.66 119.92 2k33 s GLN 27 Ca 0.00 1.46 -0.31 0.00 -2.50 0.00 0.00 55.36 54.00 2k33 s GLN 27 Cb 0.00 -3.34 -0.12 0.00 -1.64 0.00 0.00 33.01 27.91 2k33 s GLN 27 CO 0.00 0.34 1.68 0.99 0.50 0.00 0.00 175.29 178.80 2k33 s THR 28 N -0.47 2.05 0.00 -0.34 2.01 -1.26 -0.89 115.64 116.74 2k33 s THR 28 Ca 0.44 0.04 0.00 0.00 0.31 0.00 0.00 61.69 62.48 2k33 s THR 28 Cb -0.24 -3.02 0.00 0.00 0.01 0.00 0.00 72.50 69.24 2k33 s THR 28 CO 0.31 0.00 0.00 0.18 -0.69 0.00 0.00 174.62 174.42 2k33 n LEU 29 N 3.41 0.00 -4.12 4.42 4.77 0.15 -4.64 117.00 120.99 2k33 n LEU 29 Ca 0.13 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.98 2k33 n LEU 29 Cb 0.36 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.39 2k33 n LEU 29 CO 0.64 0.00 0.03 -0.36 -1.33 0.00 0.00 177.39 176.37 2k33 s PHE 30 N -1.44 1.01 -0.13 -1.77 0.40 -0.56 0.52 117.98 116.01 2k33 s PHE 30 Ca 0.00 -1.23 -0.06 0.00 -0.60 0.00 0.00 56.93 55.04 2k33 s PHE 30 Cb 0.00 -0.21 0.05 0.00 0.51 0.00 0.00 43.02 43.38 2k33 s PHE 30 CO 0.00 -0.96 0.30 0.42 0.70 0.00 0.00 175.22 175.68 2k33 s ILE 31 N -3.58 -0.07 0.01 0.64 1.01 -0.67 0.24 121.20 118.79 2k33 s ILE 31 Ca 0.32 0.14 0.00 0.00 0.00 0.00 0.00 60.65 61.11 2k33 s ILE 31 Cb 0.02 -0.45 -0.01 0.00 0.01 0.00 0.00 42.46 42.02 2k33 s ILE 31 CO 0.17 0.06 -0.02 -0.63 0.00 0.00 0.00 174.94 174.52 2k33 s ILE 32 N 1.39 0.09 0.10 2.92 1.01 -0.96 0.48 121.20 126.24 2k33 s ILE 32 Ca -0.09 -0.45 0.06 0.00 0.00 0.00 0.00 60.65 60.17 2k33 s ILE 32 Cb -0.10 -0.16 -0.04 0.00 0.01 0.00 0.00 42.46 42.17 2k33 s ILE 32 CO -0.10 -0.23 -0.06 -1.83 0.00 0.00 0.00 174.94 172.73 2k33 s GLU 33 N -0.71 2.30 0.37 2.79 -1.05 -1.06 0.09 118.70 121.43 2k33 s GLU 33 Ca -0.07 -0.96 -0.06 0.00 -0.15 0.00 0.00 54.97 53.73 2k33 s GLU 33 Cb -0.05 -2.40 0.02 0.00 -0.44 0.00 0.00 34.13 31.27 2k33 s GLU 33 CO -0.00 0.52 0.59 0.00 0.95 0.00 0.00 175.26 177.31 2k33 n GLN 34 N 0.59 0.84 -0.65 -4.83 0.00 -1.24 -2.31 117.38 109.78 2k33 n GLN 34 Ca -0.12 -2.66 0.03 0.00 0.00 0.00 0.00 57.00 54.25 2k33 n GLN 34 Cb 0.52 2.75 0.27 0.00 0.00 0.00 0.00 30.24 33.79 2k33 n GLN 34 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.06 176.81 2k33 n ASP 35 N -1.59 4.27 -3.51 2.61 9.92 -1.26 -4.54 116.55 122.45 2k33 n ASP 35 Ca -0.02 -2.69 -0.29 0.00 -0.53 0.00 0.00 54.79 51.26 2k33 n ASP 35 Cb 0.60 -0.64 -0.14 0.00 -0.64 0.00 0.00 41.12 40.29 2k33 n ASP 35 CO 0.00 0.00 0.00 -1.58 0.13 0.00 0.00 177.20 175.75 2k33 s GLN 36 N -2.24 0.30 -0.21 -1.24 0.74 -1.26 -4.97 119.66 110.77 2k33 s GLN 36 Ca 0.38 -0.76 0.08 0.00 0.05 0.00 0.00 55.36 55.12 2k33 s GLN 36 Cb 0.30 -1.19 -0.19 0.00 1.10 0.00 0.00 33.01 33.03 2k33 s GLN 36 CO 0.11 -1.08 -0.09 0.00 -0.55 0.00 0.00 175.29 173.68 2k33 n ALA 37 N 4.89 1.51 -3.65 1.58 0.00 -1.26 -5.04 120.51 118.54 2k33 n ALA 37 Ca -0.01 -1.10 0.02 0.00 0.00 0.00 0.00 53.44 52.35 2k33 n ALA 37 Cb 0.41 -0.09 -0.06 0.00 0.00 0.00 0.00 19.45 19.71 2k33 n ALA 37 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2k33 s SER 38 N -5.86 -0.00 0.59 0.00 0.15 -1.26 -4.99 113.70 102.33 2k33 s SER 38 Ca -0.22 0.00 0.29 0.00 0.70 0.00 0.00 55.95 56.71 2k33 s SER 38 Cb 0.07 0.74 1.66 0.00 -1.71 0.00 0.00 66.02 66.78 2k33 s SER 38 CO 0.64 -0.00 2.11 0.11 1.20 0.00 0.00 173.24 177.29 2k33 h LYS 39 N 4.48 0.00 -0.62 5.44 6.56 -1.96 0.27 116.57 130.73 2k33 h LYS 39 Ca -0.26 0.00 -0.05 0.00 -1.06 0.00 0.00 60.65 59.27 2k33 h LYS 39 Cb 1.16 0.00 -0.03 0.00 -0.57 0.00 0.00 32.23 32.79 2k33 h LYS 39 CO 0.23 0.00 0.07 -3.47 -2.06 0.00 0.00 179.45 174.21 2k33 n ASP 40 N -3.82 5.57 -2.23 0.86 2.03 -1.26 -4.95 116.55 112.74 2k33 n ASP 40 Ca 0.01 -3.01 -0.09 0.00 0.52 0.00 0.00 54.79 52.22 2k33 n ASP 40 Cb 0.31 -0.70 -0.02 0.00 -0.72 0.00 0.00 41.12 39.98 2k33 n ASP 40 CO 0.00 0.00 0.00 0.33 -1.92 0.00 0.00 177.20 175.61 2k33 n PHE 41 N 0.44 -0.96 -1.93 -0.67 7.35 0.94 -5.10 117.46 117.54 2k33 n PHE 41 Ca 0.31 -1.47 0.00 0.00 -0.76 0.00 0.00 57.45 55.54 2k33 n PHE 41 Cb 1.26 0.31 0.00 0.00 0.35 0.00 0.00 39.48 41.40 2k33 n PHE 41 CO 0.00 0.00 0.00 0.27 -0.76 0.00 0.00 176.76 176.27 2k33 n ASN 42 N -1.89 -4.90 -0.32 -2.13 6.94 -1.26 -4.65 115.26 107.05 2k33 n ASN 42 Ca 0.01 1.29 0.04 0.00 -0.02 0.00 0.00 54.58 55.91 2k33 n ASN 42 Cb 0.36 -3.46 0.17 0.00 -2.36 0.00 0.00 39.78 34.48 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 1.81 1.41 -1.79 -3.83 5.12 -1.26 -5.01 116.66 113.10 2k33 n ARG 43 Ca 0.00 -0.63 0.00 0.00 -1.93 0.00 0.00 57.85 55.29 2k33 n ARG 43 Cb 0.00 -1.19 0.00 0.00 -1.16 0.00 0.00 32.46 30.11 2k33 n ARG 43 CO 0.00 0.00 0.00 -1.13 -1.93 0.00 0.00 177.63 174.57 2k33 n SER 44 N -0.03 -8.75 0.00 0.55 3.41 -1.26 -5.03 113.62 102.51 2k33 n SER 44 Ca 0.08 1.31 0.00 0.00 -0.26 0.00 0.00 58.87 60.00 2k33 n SER 44 Cb 0.16 -5.03 0.00 0.00 -0.26 0.00 0.00 64.21 59.09 2k33 n SER 44 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2k33 n LYS 45 N -0.21 0.00 -3.82 4.33 4.01 -1.26 -5.00 118.16 116.21 2k33 n LYS 45 Ca 0.00 0.00 -0.32 0.00 -0.51 0.00 0.00 58.31 57.48 2k33 n LYS 45 Cb 0.00 -0.01 0.02 0.00 -0.51 0.00 0.00 35.03 34.54 2k33 n LYS 45 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2k33 n ALA 46 N -2.28 -2.42 -2.15 7.82 0.00 -1.26 -4.98 120.51 115.25 2k33 n ALA 46 Ca 0.00 -0.30 -0.09 0.00 0.00 0.00 0.00 53.44 53.04 2k33 n ALA 46 Cb 0.00 -3.21 -0.10 0.00 0.00 0.00 0.00 19.45 16.14 2k33 n ALA 46 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2k33 s LEU 47 N -6.76 2.20 0.00 0.00 1.02 -1.26 -5.05 118.68 108.84 2k33 s LEU 47 Ca 0.35 -1.10 0.00 0.00 0.02 0.00 0.00 54.13 53.41 2k33 s LEU 47 Cb -0.14 0.15 0.00 0.00 0.02 0.00 0.00 46.19 46.22 2k33 s LEU 47 CO 0.89 -0.62 0.00 2.22 0.02 0.00 0.00 176.35 178.86 2k33 n PHE 48 N -0.04 -0.41 -3.46 0.29 -1.74 -1.26 -5.05 117.46 105.80 2k33 n PHE 48 Ca -0.10 0.00 0.03 0.00 -0.56 0.00 0.00 57.45 56.82 2k33 n PHE 48 Cb 0.62 0.09 -0.01 0.00 1.52 0.00 0.00 39.48 41.70 2k33 n PHE 48 CO 0.00 0.00 0.00 0.45 -0.56 0.00 0.00 176.76 176.65 2k33 n SER 49 N -1.67 -5.10 0.12 5.98 2.88 -1.26 -3.39 113.62 111.17 2k33 n SER 49 Ca 0.00 0.22 -0.15 0.00 -1.33 0.00 0.00 58.87 57.60 2k33 n SER 49 Cb 0.00 -0.62 -0.08 0.00 -0.75 0.00 0.00 64.21 62.75 2k33 n SER 49 CO 0.00 0.00 0.00 1.56 -1.23 0.00 0.00 175.04 175.37 2k33 h GLN 50 N 0.00 -0.68 -0.49 -1.46 7.50 -2.02 -3.42 115.11 114.53 2k33 h GLN 50 Ca 0.00 0.05 -0.05 0.00 0.50 0.00 0.00 58.65 59.16 2k33 h GLN 50 Cb 0.18 0.15 -0.16 0.00 0.05 0.00 0.00 27.48 27.71 2k33 h GLN 50 CO 0.00 -0.45 -0.26 0.45 -1.50 0.00 0.00 178.83 177.07 2k33 s SER 51 N -4.68 -0.71 -0.19 1.46 0.15 -1.26 -5.02 113.70 103.44 2k33 s SER 51 Ca -0.16 -0.84 0.06 0.00 0.70 0.00 0.00 55.95 55.70 2k33 s SER 51 Cb 0.07 0.93 -0.16 0.00 -1.71 0.00 0.00 66.02 65.16 2k33 s SER 51 CO 0.62 -0.03 -0.11 0.00 1.20 0.00 0.00 173.24 174.93 2k33 n ALA 52 N 2.75 1.56 -3.45 5.45 0.00 -1.22 -4.94 120.51 120.66 2k33 n ALA 52 Ca 0.14 -0.95 -0.16 0.00 0.00 0.00 0.00 53.44 52.47 2k33 n ALA 52 Cb 0.62 -0.02 -0.11 0.00 0.00 0.00 0.00 19.45 19.93 2k33 n ALA 52 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2k33 s ILE 53 N -2.41 -0.39 -1.04 0.00 1.01 -1.26 -5.08 121.20 112.03 2k33 s ILE 53 Ca -0.22 -0.15 -0.24 0.00 0.00 0.00 0.00 60.65 60.04 2k33 s ILE 53 Cb 0.06 -0.74 -0.07 0.00 0.01 0.00 0.00 42.46 41.72 2k33 s ILE 53 CO 0.54 -0.22 1.96 -0.44 0.00 0.00 0.00 174.94 176.78 2k33 s SER 54 N 2.38 4.99 0.64 3.58 0.01 -1.26 -4.75 113.70 119.29 2k33 s SER 54 Ca 0.08 -1.13 0.30 0.00 1.31 0.00 0.00 55.95 56.52 2k33 s SER 54 Cb -0.15 -2.57 1.64 0.00 0.21 0.00 0.00 66.02 65.14 2k33 s SER 54 CO -0.15 -3.01 1.97 1.56 0.41 0.00 0.00 173.24 174.02 2k33 h GLN 55 N 10.61 0.00 -1.11 12.44 4.20 -1.98 0.34 115.11 139.61 2k33 h GLN 55 Ca 0.15 0.00 0.31 0.00 0.06 0.00 0.00 58.65 59.17 2k33 h GLN 55 Cb 0.97 0.00 -0.11 0.00 0.30 0.00 0.00 27.48 28.64 2k33 h GLN 55 CO 1.20 0.00 0.70 1.57 -0.67 0.00 0.00 178.83 181.64 2k33 h LYS 56 N 0.00 0.31 0.00 1.46 2.10 -2.04 -3.16 116.57 115.23 2k33 h LYS 56 Ca 0.07 -0.02 0.00 0.00 -2.00 0.00 0.00 60.65 58.70 2k33 h LYS 56 Cb 0.73 -0.07 0.00 0.00 -0.90 0.00 0.00 32.23 31.99 2k33 h LYS 56 CO -0.00 0.20 -0.19 0.39 -2.00 0.00 0.00 179.45 177.85 2k33 n GLU 57 N -4.69 0.00 -0.82 0.07 1.02 -0.60 -5.13 120.64 110.49 2k33 n GLU 57 Ca 0.29 -0.38 -0.33 0.00 -0.02 0.00 0.00 57.16 56.72 2k33 n GLU 57 Cb 1.02 -0.19 0.13 0.00 -0.02 0.00 0.00 31.44 32.38 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 0.00 -0.75 -2.52 -0.32 4.11 0.11 -5.00 117.16 112.80 2k33 n TYR 58 Ca 0.00 0.29 -0.26 0.00 -0.00 0.00 0.00 57.90 57.93 2k33 n TYR 58 Cb 0.57 -1.86 0.03 0.00 -0.00 0.00 0.00 39.34 38.09 2k33 n TYR 58 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.86 177.20 2k33 s ASP 59 N -2.12 5.58 -0.01 9.48 2.15 -1.26 -4.99 116.67 125.51 2k33 s ASP 59 Ca 0.61 0.58 0.05 0.00 0.43 0.00 0.00 52.55 54.21 2k33 s ASP 59 Cb -0.23 -1.60 -0.24 0.00 -0.30 0.00 0.00 42.92 40.55 2k33 s ASP 59 CO 0.64 -1.02 0.80 0.28 -0.17 0.00 0.00 175.17 175.70 2k33 h SER 60 N -0.07 0.16 -0.93 -0.34 0.02 -1.94 -3.26 113.55 107.19 2k33 h SER 60 Ca -0.45 -0.25 0.20 0.00 -0.84 0.00 0.00 61.79 60.44 2k33 h SER 60 Cb 1.26 -0.05 -0.07 0.00 0.14 0.00 0.00 62.40 63.68 2k33 h SER 60 CO 0.60 1.22 0.61 0.77 -1.14 0.00 0.00 176.83 178.88 2k33 h SER 61 N 0.03 0.48 1.16 3.07 4.64 -2.04 0.23 113.55 121.12 2k33 h SER 61 Ca -0.24 0.05 -0.11 0.00 -0.47 0.00 0.00 61.79 61.03 2k33 h SER 61 Cb 1.97 -0.04 -0.02 0.00 -0.31 0.00 0.00 62.40 64.01 2k33 h SER 61 CO 0.11 0.19 -0.88 0.17 -0.87 0.00 0.00 176.83 175.55 2k33 h LEU 62 N 0.48 0.00 -9.48 5.97 8.10 -1.99 -3.45 115.31 114.93 2k33 h LEU 62 Ca 0.49 0.00 -0.53 0.00 0.11 0.00 0.00 57.88 57.95 2k33 h LEU 62 Cb 1.13 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 41.34 2k33 h LEU 62 CO -0.22 0.42 0.44 0.00 -4.11 0.00 0.00 178.44 174.97 2k33 s ALA 63 N -3.02 3.27 -0.45 0.17 0.00 0.80 -5.01 121.76 117.51 2k33 s ALA 63 Ca 0.01 0.67 -0.09 0.00 0.00 0.00 0.00 51.96 52.56 2k33 s ALA 63 Cb 0.08 -3.37 0.11 0.00 0.00 0.00 0.00 23.12 19.94 2k33 s ALA 63 CO 0.77 -0.27 0.31 0.99 0.00 0.00 0.00 175.76 177.56 2k33 s THR 64 N 0.75 4.13 -0.22 0.00 2.01 -1.26 -4.91 115.64 116.14 2k33 s THR 64 Ca 0.53 -1.69 -0.03 0.00 0.31 0.00 0.00 61.69 60.80 2k33 s THR 64 Cb -0.25 -3.67 0.10 0.00 0.01 0.00 0.00 72.50 68.69 2k33 s THR 64 CO 0.29 -0.69 0.24 -0.76 -0.69 0.00 0.00 174.62 173.02 2k33 s LEU 65 N 1.36 -0.15 0.89 4.42 1.43 -1.26 -4.94 118.68 120.43 2k33 s LEU 65 Ca 0.05 -0.27 -0.11 0.00 -1.03 0.00 0.00 54.13 52.77 2k33 s LEU 65 Cb -0.25 0.44 0.13 0.00 0.03 0.00 0.00 46.19 46.54 2k33 s LEU 65 CO -0.00 -0.33 1.16 -1.81 0.23 0.00 0.00 176.35 175.60 2k33 s ASP 66 N 2.34 3.04 0.46 2.29 1.11 -1.26 -4.92 116.67 119.73 2k33 s ASP 66 Ca 0.08 2.24 0.05 0.00 0.18 0.00 0.00 52.55 55.09 2k33 s ASP 66 Cb -0.16 -2.57 -0.04 0.00 1.07 0.00 0.00 42.92 41.23 2k33 s ASP 66 CO -0.15 -3.03 0.09 -1.00 1.18 0.00 0.00 175.17 172.26 2k33 s HIS 67 N -2.54 2.19 -0.21 4.23 3.76 -1.26 -3.72 115.29 117.75 2k33 s HIS 67 Ca 0.68 -0.78 -0.03 0.00 -0.15 0.00 0.00 55.06 54.78 2k33 s HIS 67 Cb -0.24 -1.77 0.07 0.00 1.11 0.00 0.00 32.58 31.74 2k33 s HIS 67 CO 0.56 0.21 0.05 0.99 -0.85 0.00 0.00 174.74 175.70 2k33 s THR 68 N -2.76 0.44 -0.28 1.30 2.01 0.11 -4.96 115.64 111.50 2k33 s THR 68 Ca 0.25 -0.59 -0.29 0.00 0.31 0.00 0.00 61.69 61.38 2k33 s THR 68 Cb 0.04 -1.02 -0.02 0.00 0.01 0.00 0.00 72.50 71.51 2k33 s THR 68 CO 0.14 -0.29 1.81 -1.61 -0.69 0.00 0.00 174.62 173.98 2k33 s GLU 69 N 1.89 3.43 -0.71 4.92 2.02 -1.26 -2.26 118.70 126.72 2k33 s GLU 69 Ca 0.01 1.57 -0.27 0.00 0.02 0.00 0.00 54.97 56.30 2k33 s GLU 69 Cb -0.17 -4.18 0.02 0.00 0.10 0.00 0.00 34.13 29.90 2k33 s GLU 69 CO -0.11 -1.74 1.44 0.42 0.02 0.00 0.00 175.26 175.29 2k33 s ILE 70 N 6.61 3.63 0.65 -1.63 1.09 0.14 -4.97 121.20 126.71 2k33 s ILE 70 Ca 0.81 0.33 0.00 0.00 -1.10 0.00 0.00 60.65 60.69 2k33 s ILE 70 Cb -0.25 -4.66 0.09 0.00 -1.06 0.00 0.00 42.46 36.58 2k33 s ILE 70 CO 0.33 -1.61 0.90 -0.54 -0.10 0.00 0.00 174.94 173.93 2k33 s LYS 71 N 6.07 2.06 0.12 2.79 1.02 -1.26 -0.67 119.74 129.87 2k33 s LYS 71 Ca 0.44 -0.96 -0.15 0.00 0.02 0.00 0.00 55.97 55.32 2k33 s LYS 71 Cb -0.09 -2.40 -0.07 0.00 -0.52 0.00 0.00 37.83 34.76 2k33 s LYS 71 CO 0.16 -1.13 0.53 0.00 -0.92 0.00 0.00 175.35 173.99 2k33 s ALA 72 N -2.98 3.60 0.25 5.17 0.00 -0.07 -4.80 121.76 122.93 2k33 s ALA 72 Ca 0.62 -0.12 0.20 0.00 0.00 0.00 0.00 51.96 52.66 2k33 s ALA 72 Cb -0.08 -2.52 0.89 0.00 0.00 0.00 0.00 23.12 21.42 2k33 s ALA 72 CO 0.42 0.45 1.83 -1.00 0.00 0.00 0.00 175.76 177.47 2k33 h PRO 73 N 3.82 0.00 -1.50 0.00 0.13 -1.92 0.11 132.00 132.65 2k33 h PRO 73 Ca -0.49 0.00 0.27 0.00 -0.87 0.00 0.00 66.00 64.91 2k33 h PRO 73 Cb 1.20 0.00 -0.17 0.00 0.13 0.00 0.00 31.00 32.16 2k33 h PRO 73 CO 0.65 0.30 0.81 -0.59 -0.23 0.00 0.00 178.00 178.93 2k33 s PHE 74 N -3.83 -0.11 0.22 1.56 -0.71 -1.26 -4.66 117.98 109.19 2k33 s PHE 74 Ca -0.01 0.04 -0.31 0.00 -1.04 0.00 0.00 56.93 55.61 2k33 s PHE 74 Cb 0.12 0.52 -0.11 0.00 -1.21 0.00 0.00 43.02 42.35 2k33 s PHE 74 CO 0.66 -0.24 1.57 0.16 -1.34 0.00 0.00 175.22 176.04 2k33 s ASP 75 N -2.40 6.51 0.00 1.98 1.47 -1.08 -4.53 116.67 118.62 2k33 s ASP 75 Ca 0.11 2.75 0.00 0.00 1.18 0.00 0.00 52.55 56.59 2k33 s ASP 75 Cb 0.00 -2.61 0.00 0.00 -0.34 0.00 0.00 42.92 39.97 2k33 s ASP 75 CO -0.04 -0.85 0.00 0.61 0.68 0.00 0.00 175.17 175.57 2k33 n GLY 76 N 3.06 0.62 3.66 2.12 0.00 -0.91 -4.34 105.19 109.39 2k33 n GLY 76 Ca 0.11 -0.82 -0.37 0.00 0.00 0.00 0.00 46.02 44.94 2k33 n GLY 76 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2k33 s THR 77 N -2.13 5.33 -0.07 2.61 -1.32 -1.16 -0.08 115.64 118.82 2k33 s THR 77 Ca 0.00 0.27 -0.14 0.00 -1.21 0.00 0.00 61.69 60.61 2k33 s THR 77 Cb 0.00 -3.54 -0.05 0.00 -1.51 0.00 0.00 72.50 67.40 2k33 s THR 77 CO 0.00 0.32 0.36 -0.51 -2.21 0.00 0.00 174.62 172.59 2k33 s ILE 78 N 1.15 5.17 0.00 5.08 2.07 -1.03 -1.31 121.20 132.33 2k33 s ILE 78 Ca 0.09 0.72 0.00 0.00 -1.41 0.00 0.00 60.65 60.06 2k33 s ILE 78 Cb -0.14 -3.68 0.00 0.00 0.13 0.00 0.00 42.46 38.77 2k33 s ILE 78 CO 0.05 0.50 0.00 0.61 -1.91 0.00 0.00 174.94 174.19 2k33 n GLY 79 N 2.45 0.84 3.76 1.50 0.00 -1.09 -1.09 105.19 111.56 2k33 n GLY 79 Ca -0.13 -1.60 -0.36 0.00 0.00 0.00 0.00 46.02 43.94 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 -1.00 6.27 -0.35 1.61 2.15 -1.26 -3.23 116.67 120.86 2k33 s ASP 80 Ca 0.00 0.31 -0.40 0.00 0.43 0.00 0.00 52.55 52.89 2k33 s ASP 80 Cb 0.00 -2.10 -0.15 0.00 -0.30 0.00 0.00 42.92 40.37 2k33 s ASP 80 CO 0.00 0.21 1.93 0.00 -0.17 0.00 0.00 175.17 177.14 2k33 n ALA 81 N 3.23 0.18 0.78 3.66 0.00 -1.26 -4.81 120.51 122.29 2k33 n ALA 81 Ca -0.16 0.23 0.13 0.00 0.00 0.00 0.00 53.44 53.64 2k33 n ALA 81 Cb 0.53 -2.28 0.32 0.00 0.00 0.00 0.00 19.45 18.02 2k33 n ALA 81 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 2k33 n LEU 82 N 6.94 0.52 0.00 0.00 -0.00 -1.01 -4.90 117.00 118.55 2k33 n LEU 82 Ca 0.36 0.28 -0.18 0.00 -0.00 0.00 0.00 56.01 56.46 2k33 n LEU 82 Cb 0.12 -0.29 -0.03 0.00 -0.00 0.00 0.00 43.42 43.22 2k33 n LEU 82 CO 0.81 -0.02 -0.09 1.33 -0.00 0.00 0.00 177.39 179.43 2k33 n VAL 83 N -1.85 0.00 -4.42 1.47 0.24 -1.25 -5.09 118.33 107.43 2k33 n VAL 83 Ca 0.05 -1.40 -0.21 0.00 -2.04 0.00 0.00 64.34 60.74 2k33 n VAL 83 Cb 0.39 0.13 -0.10 0.00 -1.47 0.00 0.00 33.84 32.78 2k33 n VAL 83 CO 0.00 0.00 0.00 0.20 -2.14 0.00 0.00 176.83 174.89 2k33 s ASN 84 N -2.76 2.44 0.49 -1.34 0.01 -1.26 -5.13 114.94 107.39 2k33 s ASN 84 Ca 0.06 -1.28 -0.20 0.00 -0.71 0.00 0.00 52.86 50.73 2k33 s ASN 84 Cb -0.00 -0.10 -0.08 0.00 0.41 0.00 0.00 41.25 41.47 2k33 s ASN 84 CO 0.04 -0.50 1.03 -0.63 -1.51 0.00 0.00 177.10 175.53 2k33 s ILE 85 N -3.21 3.87 0.00 0.60 1.01 -1.26 -3.44 121.20 118.77 2k33 s ILE 85 Ca 0.33 1.14 0.00 0.00 0.00 0.00 0.00 60.65 62.11 2k33 s ILE 85 Cb 0.07 -3.47 0.00 0.00 0.01 0.00 0.00 42.46 39.07 2k33 s ILE 85 CO 0.13 -0.27 0.00 0.61 0.00 0.00 0.00 174.94 175.41 2k33 n GLY 86 N -0.36 0.81 3.68 6.18 0.00 -0.87 -4.98 105.19 109.65 2k33 n GLY 86 Ca 0.09 0.00 -0.40 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 -2.63 6.78 -0.12 1.61 1.01 -1.22 -4.70 116.67 117.39 2k33 s ASP 87 Ca 0.00 0.94 -0.29 0.00 0.71 0.00 0.00 52.55 53.91 2k33 s ASP 87 Cb 0.00 -2.37 -0.05 0.00 1.01 0.00 0.00 42.92 41.51 2k33 s ASP 87 CO 0.00 -0.23 1.73 -0.47 0.21 0.00 0.00 175.17 176.41 2k33 s TYR 88 N 1.61 1.86 0.52 4.23 6.14 -1.26 -2.37 117.35 128.08 2k33 s TYR 88 Ca 0.31 0.27 0.01 0.00 0.64 0.00 0.00 57.07 58.30 2k33 s TYR 88 Cb -0.16 -3.98 0.02 0.00 0.42 0.00 0.00 41.96 38.26 2k33 s TYR 88 CO 0.12 -3.76 0.74 0.14 0.64 0.00 0.00 175.55 173.43 2k33 s VAL 89 N 4.88 3.10 -0.33 3.14 -7.23 0.85 -4.94 120.40 119.87 2k33 s VAL 89 Ca 0.77 -0.61 -0.01 0.00 -1.81 0.00 0.00 61.98 60.32 2k33 s VAL 89 Cb -0.31 -3.16 0.12 0.00 0.56 0.00 0.00 36.38 33.59 2k33 s VAL 89 CO 0.31 -0.11 0.18 -0.44 -0.31 0.00 0.00 175.10 174.73 2k33 s SER 90 N -4.36 3.26 0.15 4.85 0.01 -1.26 -2.33 113.70 114.02 2k33 s SER 90 Ca 0.54 -1.86 0.00 0.00 1.31 0.00 0.00 55.95 55.95 2k33 s SER 90 Cb -0.10 -0.43 0.00 0.00 0.21 0.00 0.00 66.02 65.69 2k33 s SER 90 CO 0.38 -0.36 0.00 0.00 0.41 0.00 0.00 173.24 173.67 2k33 n ALA 91 N 4.49 0.00 0.71 1.44 0.00 -0.24 -1.28 120.51 125.64 2k33 n ALA 91 Ca 0.05 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.56 2k33 n ALA 91 Cb 0.39 0.00 0.38 0.00 0.00 0.00 0.00 19.45 20.21 2k33 n ALA 91 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2k33 n SER 92 N -3.85 0.00 0.25 0.00 3.41 -1.26 -2.43 113.62 109.74 2k33 n SER 92 Ca 0.00 0.04 0.13 0.00 -0.26 0.00 0.00 58.87 58.78 2k33 n SER 92 Cb 0.00 -0.27 0.56 0.00 -0.26 0.00 0.00 64.21 64.25 2k33 n SER 92 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 2k33 h THR 93 N 0.00 0.35 -3.60 6.66 2.02 -1.59 -3.36 112.91 113.39 2k33 h THR 93 Ca 0.00 -0.85 -0.77 0.00 0.77 0.00 0.00 66.41 65.56 2k33 h THR 93 Cb 0.13 1.64 -0.30 0.00 -1.74 0.00 0.00 68.15 67.88 2k33 h THR 93 CO 0.00 0.13 0.15 -0.89 0.37 0.00 0.00 175.52 175.28 2k33 s THR 94 N -3.70 5.33 -0.53 3.16 2.01 -0.87 -4.95 115.64 116.09 2k33 s THR 94 Ca 0.01 -3.16 -0.28 0.00 0.31 0.00 0.00 61.69 58.57 2k33 s THR 94 Cb 0.10 -4.27 0.02 0.00 0.01 0.00 0.00 72.50 68.36 2k33 s THR 94 CO 0.60 -1.08 1.38 -1.83 -0.69 0.00 0.00 174.62 172.99 2k33 s GLU 95 N -0.70 3.39 -0.02 4.92 -1.05 -1.26 -4.51 118.70 119.47 2k33 s GLU 95 Ca 0.25 0.52 -0.18 0.00 -0.15 0.00 0.00 54.97 55.41 2k33 s GLU 95 Cb -0.11 -4.09 -0.33 0.00 -0.44 0.00 0.00 34.13 29.17 2k33 s GLU 95 CO -0.09 -1.82 0.88 1.37 0.95 0.00 0.00 175.26 176.55 2k33 h LEU 96 N 12.74 0.64 -8.37 1.83 -0.00 -1.96 -3.47 115.31 116.72 2k33 h LEU 96 Ca -0.27 -0.93 -0.20 0.00 -0.00 0.00 0.00 57.88 56.49 2k33 h LEU 96 Cb 1.09 -0.21 -0.05 0.00 -0.00 0.00 0.00 40.66 41.49 2k33 h LEU 96 CO 1.16 1.60 -0.05 0.68 -0.00 0.00 0.00 178.44 181.83 2k33 s VAL 97 N -2.52 0.00 -0.03 0.15 -7.23 -1.24 -2.41 120.40 107.12 2k33 s VAL 97 Ca -0.13 -1.42 -0.10 0.00 -1.81 0.00 0.00 61.98 58.52 2k33 s VAL 97 Cb 0.03 -2.71 0.01 0.00 0.56 0.00 0.00 36.38 34.28 2k33 s VAL 97 CO 0.88 0.00 0.23 -0.60 -0.31 0.00 0.00 175.10 175.29 2k33 s ARG 98 N -2.83 0.51 -0.10 4.82 3.52 -1.26 -1.25 118.95 122.36 2k33 s ARG 98 Ca 0.26 -0.16 0.00 0.00 -0.13 0.00 0.00 55.73 55.70 2k33 s ARG 98 Cb -0.02 0.22 0.02 0.00 -1.56 0.00 0.00 34.95 33.62 2k33 s ARG 98 CO 0.18 -0.12 -0.08 0.08 -0.81 0.00 0.00 175.30 174.54 2k33 s VAL 99 N -1.03 0.99 -0.06 7.11 1.01 0.42 -2.69 120.40 126.17 2k33 s VAL 99 Ca -0.11 -0.30 -0.02 0.00 0.00 0.00 0.00 61.98 61.55 2k33 s VAL 99 Cb -0.05 -1.00 0.04 0.00 0.00 0.00 0.00 36.38 35.37 2k33 s VAL 99 CO 0.02 0.35 0.11 0.28 0.00 0.00 0.00 175.10 175.86 2k33 s THR 100 N 1.45 -0.13 0.00 3.92 -1.32 -0.43 -2.29 115.64 116.85 2k33 s THR 100 Ca -0.00 0.30 0.00 0.00 -1.21 0.00 0.00 61.69 60.78 2k33 s THR 100 Cb -0.13 -0.21 0.00 0.00 -1.51 0.00 0.00 72.50 70.65 2k33 s THR 100 CO -0.05 0.12 0.00 -3.20 -2.21 0.00 0.00 174.62 169.28 2k33 n ASN 101 N 4.80 0.00 -2.61 8.08 5.15 -1.26 -2.96 115.26 126.45 2k33 n ASN 101 Ca -0.15 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.83 2k33 n ASN 101 Cb 0.50 0.00 0.01 0.00 -0.53 0.00 0.00 39.78 39.76 2k33 n ASN 101 CO 0.00 0.00 0.00 -0.11 1.40 0.00 0.00 177.26 178.55 2k33 n LEU 102 N 0.00 0.00 -4.64 1.20 7.94 -1.26 -4.69 117.00 115.55 2k33 n LEU 102 Ca 0.00 -0.57 -0.35 0.00 -1.11 0.00 0.00 56.01 53.98 2k33 n LEU 102 Cb 0.00 1.44 0.10 0.00 0.53 0.00 0.00 43.42 45.49 2k33 n LEU 102 CO 0.00 -0.19 0.62 0.59 -1.11 0.00 0.00 177.39 177.30 2k33 n ASN 103 N -0.87 0.75 -4.55 1.96 3.02 -1.26 -4.32 115.26 109.98 2k33 n ASN 103 Ca 0.01 0.66 -0.34 0.00 -0.03 0.00 0.00 54.58 54.88 2k33 n ASN 103 Cb 0.36 -1.45 -0.04 0.00 -0.61 0.00 0.00 39.78 38.05 2k33 n ASN 103 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 2k33 s PRO 104 N -3.54 2.60 -0.10 3.52 0.04 -1.26 -4.73 135.00 131.53 2k33 s PRO 104 Ca 0.74 0.27 -0.24 0.00 0.04 0.00 0.00 61.00 61.80 2k33 s PRO 104 Cb -0.33 -4.64 -0.03 0.00 0.04 0.00 0.00 34.50 29.54 2k33 s PRO 104 CO 0.50 -2.97 0.76 0.42 0.04 0.00 0.00 177.00 175.74 2k33 s ILE 105 N 9.45 4.98 -0.26 0.56 -1.09 -1.26 -5.03 121.20 128.54 2k33 s ILE 105 Ca 0.68 1.54 -0.07 0.00 -2.23 0.00 0.00 60.65 60.57 2k33 s ILE 105 Cb -0.10 -4.09 0.13 0.00 -1.58 0.00 0.00 42.46 36.82 2k33 s ILE 105 CO 0.13 0.16 0.54 -0.31 -1.23 0.00 0.00 174.94 174.23 2k33 s TYR 106 N 1.34 -1.18 -0.44 3.97 2.02 -1.26 -4.98 117.35 116.82 2k33 s TYR 106 Ca 0.38 1.82 0.03 0.00 -0.37 0.00 0.00 57.07 58.93 2k33 s TYR 106 Cb -0.17 0.53 0.25 0.00 -0.40 0.00 0.00 41.96 42.16 2k33 s TYR 106 CO 0.17 -0.66 1.00 0.00 -1.57 0.00 0.00 175.55 174.48 2k33 n ALA 107 N 5.42 -2.16 -3.78 3.71 0.00 -1.26 -5.16 120.51 117.28 2k33 n ALA 107 Ca -0.08 -1.02 -0.03 0.00 0.00 0.00 0.00 53.44 52.32 2k33 n ALA 107 Cb 0.50 -1.97 -0.00 0.00 0.00 0.00 0.00 19.45 17.97 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 1.68 1.61 -4.11 0.00 5.75 -1.26 -5.10 116.55 115.12 2k33 n ASP 108 Ca 0.07 -1.20 -0.36 0.00 -0.01 0.00 0.00 54.79 53.29 2k33 n ASP 108 Cb 0.65 0.01 -0.11 0.00 -1.03 0.00 0.00 41.12 40.65 2k33 n ASP 108 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 2k33 s GLY 109 N -1.54 2.25 -0.06 6.12 0.00 -1.26 -4.94 107.32 107.89 2k33 s GLY 109 Ca 0.02 -2.90 -0.26 0.00 0.00 0.00 0.00 44.72 41.57 2k33 s GLY 109 CO 0.01 1.07 1.08 1.48 0.00 0.00 0.00 173.10 176.74 2k33 h SER 110 N 7.54 0.04 -2.35 1.64 4.64 -2.06 -3.43 113.55 119.57 2k33 h SER 110 Ca -0.08 -0.69 -0.58 0.00 -0.47 0.00 0.00 61.79 59.98 2k33 h SER 110 Cb 1.00 -0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 63.06 2k33 h SER 110 CO 0.71 0.73 1.35 -1.00 -0.87 0.00 0.00 176.83 177.75 2k33 s HIS 111 N -3.46 1.51 0.58 4.77 3.76 -1.26 -4.97 115.29 116.23 2k33 s HIS 111 Ca -0.17 0.48 -0.15 0.00 -0.15 0.00 0.00 55.06 55.08 2k33 s HIS 111 Cb 0.00 -4.03 -0.05 0.00 1.11 0.00 0.00 32.58 29.61 2k33 s HIS 111 CO 0.69 -3.68 1.03 -1.01 -0.85 0.00 0.00 174.74 170.91 2k33 s HIS 112 N 7.12 3.26 -0.18 1.40 0.09 -1.26 -4.99 115.29 120.72 2k33 s HIS 112 Ca 0.89 1.46 -0.29 0.00 -0.00 0.00 0.00 55.06 57.11 2k33 s HIS 112 Cb -0.29 -2.87 -0.01 0.00 -0.00 0.00 0.00 32.58 29.41 2k33 s HIS 112 CO 0.34 -0.79 1.20 -1.01 -0.00 0.00 0.00 174.74 174.49 2k33 s HIS 113 N -2.68 2.98 0.21 1.40 3.76 -1.26 -4.99 115.29 114.71 2k33 s HIS 113 Ca 0.60 1.13 -0.00 0.00 -0.15 0.00 0.00 55.06 56.64 2k33 s HIS 113 Cb -0.13 -3.44 0.00 0.00 1.11 0.00 0.00 32.58 30.12 2k33 s HIS 113 CO 0.39 -1.38 0.27 -2.39 -0.85 0.00 0.00 174.74 170.78 2k33 n HIS 114 N 6.52 -0.94 -1.84 1.40 1.44 -1.26 -5.08 115.22 115.46 2k33 n HIS 114 Ca 0.13 -1.46 -0.36 0.00 -2.01 0.00 0.00 57.72 54.03 2k33 n HIS 114 Cb 0.45 0.30 -0.03 0.00 0.12 0.00 0.00 29.99 30.83 2k33 n HIS 114 CO 0.00 0.00 0.00 -1.58 -2.81 0.00 0.00 176.34 171.95 2k33 s HIS 115 N -3.58 1.42 -1.92 -1.40 5.65 -1.26 -5.31 115.29 108.89 2k33 s HIS 115 Ca 0.19 1.13 0.15 0.00 0.25 0.00 0.00 55.06 56.78 2k33 s HIS 115 Cb -0.00 -3.86 0.12 0.00 -1.18 0.00 0.00 32.58 27.66 2k33 s HIS 115 CO 0.13 -2.32 0.99 1.58 -0.65 0.00 0.00 174.74 174.47