#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d33 s VAL 35 N 0.00 1.25 -0.18 -1.45 -7.23 -1.26 -4.85 120.40 106.68 3d33 s VAL 35 Ca 0.00 -2.00 -0.01 0.00 -1.81 0.00 0.00 61.98 58.16 3d33 s VAL 35 Cb 0.00 -2.70 -0.00 0.00 0.56 0.00 0.00 36.38 34.23 3d33 s VAL 35 CO 0.00 0.00 -0.11 -1.59 -0.31 0.00 0.00 175.10 173.09 3d33 s LYS 36 N -3.83 3.29 0.41 4.82 0.00 -0.35 -4.96 119.74 119.13 3d33 s LYS 36 Ca 0.31 -0.69 -0.25 0.00 0.00 0.00 0.00 55.97 55.34 3d33 s LYS 36 Cb 0.07 -2.78 -0.08 0.00 0.00 0.00 0.00 37.83 35.04 3d33 s LYS 36 CO 0.15 -0.06 1.18 -0.51 0.00 0.00 0.00 175.35 176.11 3d33 s ASP 37 N 1.05 6.42 -0.39 0.03 1.01 -1.26 -0.48 116.67 123.04 3d33 s ASP 37 Ca -0.00 2.37 -0.07 0.00 0.71 0.00 0.00 52.55 55.55 3d33 s ASP 37 Cb -0.15 -2.61 0.07 0.00 1.01 0.00 0.00 42.92 41.24 3d33 s ASP 37 CO -0.02 -0.75 0.20 -0.69 0.21 0.00 0.00 175.17 174.12 3d33 s VAL 38 N -1.43 3.94 0.26 -1.27 1.01 0.07 -4.88 120.40 118.10 3d33 s VAL 38 Ca 0.59 -1.40 -0.30 0.00 0.00 0.00 0.00 61.98 60.87 3d33 s VAL 38 Cb -0.31 -3.38 -0.10 0.00 0.00 0.00 0.00 36.38 32.59 3d33 s VAL 38 CO 0.39 -0.42 1.35 -0.70 0.00 0.00 0.00 175.10 175.72 3d33 s GLU 39 N 1.38 4.34 -0.04 2.72 2.56 -1.26 -4.32 118.70 124.07 3d33 s GLU 39 Ca 0.02 2.19 0.06 0.00 0.00 0.00 0.00 54.97 57.24 3d33 s GLU 39 Cb -0.22 -3.12 -0.02 0.00 2.00 0.00 0.00 34.13 32.77 3d33 s GLU 39 CO 0.01 -0.28 -0.22 -0.51 -0.56 0.00 0.00 175.26 173.71 3d33 s LEU 40 N -0.81 2.26 0.05 2.70 1.43 -1.26 -4.17 118.68 118.87 3d33 s LEU 40 Ca 0.55 -0.40 0.06 0.00 -1.03 0.00 0.00 54.13 53.31 3d33 s LEU 40 Cb -0.39 -1.41 -0.02 0.00 0.03 0.00 0.00 46.19 44.39 3d33 s LEU 40 CO 0.45 0.31 -0.18 -1.81 0.23 0.00 0.00 176.35 175.35 3d33 s ASP 41 N -0.51 2.12 0.00 2.29 1.01 -0.23 -4.90 116.67 116.44 3d33 s ASP 41 Ca 0.07 -0.50 0.00 0.00 0.71 0.00 0.00 52.55 52.82 3d33 s ASP 41 Cb -0.11 -0.16 0.00 0.00 1.01 0.00 0.00 42.92 43.66 3d33 s ASP 41 CO 0.01 0.10 0.00 0.61 0.21 0.00 0.00 175.17 176.09 3d33 n GLY 42 N 1.82 0.26 3.00 0.21 0.00 -1.26 -1.08 105.19 108.14 3d33 n GLY 42 Ca -0.18 -1.46 -0.25 0.00 0.00 0.00 0.00 46.02 44.13 3d33 n GLY 42 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3d33 s ARG 43 N -2.00 1.63 -0.48 1.61 3.52 -0.68 -4.99 118.95 117.56 3d33 s ARG 43 Ca 0.00 -0.37 0.05 0.00 -0.13 0.00 0.00 55.73 55.28 3d33 s ARG 43 Cb 0.00 -1.41 0.18 0.00 -1.56 0.00 0.00 34.95 32.16 3d33 s ARG 43 CO 0.00 -0.03 0.41 1.87 -0.81 0.00 0.00 175.30 176.74 3d33 n TRP 44 N 4.03 0.23 -1.72 5.12 -0.00 -1.26 -0.43 117.44 123.40 3d33 n TRP 44 Ca -0.21 -3.59 -0.18 0.00 -0.00 0.00 0.00 57.50 53.52 3d33 n TRP 44 Cb 0.51 -0.04 -0.09 0.00 -0.00 0.00 0.00 31.31 31.70 3d33 n TRP 44 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 177.69 177.18 3d33 s ASP 45 N -0.54 3.99 0.00 5.87 1.01 -1.26 -4.97 116.67 120.77 3d33 s ASP 45 Ca 0.32 -0.80 0.00 0.00 0.71 0.00 0.00 52.55 52.78 3d33 s ASP 45 Cb 0.04 -2.58 0.00 0.00 1.01 0.00 0.00 42.92 41.39 3d33 s ASP 45 CO -0.17 -4.05 0.00 -0.46 0.21 0.00 0.00 175.17 170.69 3d33 n ASN 54 N 17.97 0.00 -4.64 0.27 0.23 -1.26 -4.92 115.26 122.90 3d33 n ASN 54 Ca 0.43 0.00 -0.48 0.00 -0.53 0.00 0.00 54.58 54.00 3d33 n ASN 54 Cb 0.46 0.00 -0.05 0.00 -2.08 0.00 0.00 39.78 38.11 3d33 n ASN 54 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3d33 n PRO 56 N 3.21 0.13 -3.68 0.00 -0.04 -1.26 -4.77 135.00 128.59 3d33 n PRO 56 Ca 0.18 0.22 -0.36 0.00 -0.04 0.00 0.00 63.50 63.50 3d33 n PRO 56 Cb 0.26 -1.69 -0.09 0.00 -0.04 0.00 0.00 33.50 31.93 3d33 n PRO 56 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3d33 s ILE 57 N -3.11 5.35 0.06 0.52 -1.09 -1.26 -1.08 121.20 120.59 3d33 s ILE 57 Ca 0.09 0.18 0.04 0.00 -2.23 0.00 0.00 60.65 58.72 3d33 s ILE 57 Cb 0.13 -3.48 -0.03 0.00 -1.58 0.00 0.00 42.46 37.50 3d33 s ILE 57 CO 0.47 0.37 -0.11 0.42 -1.23 0.00 0.00 174.94 174.85 3d33 s THR 58 N 0.91 0.84 -0.01 2.92 -4.23 -0.63 -4.97 115.64 110.46 3d33 s THR 58 Ca 0.08 -1.22 0.02 0.00 -1.18 0.00 0.00 61.69 59.38 3d33 s THR 58 Cb -0.13 -0.88 0.00 0.00 1.34 0.00 0.00 72.50 72.83 3d33 s THR 58 CO 0.03 -0.31 -0.06 -0.69 -0.54 0.00 0.00 174.62 173.04 3d33 s VAL 59 N -1.39 0.53 0.12 2.29 1.01 -1.26 -1.20 120.40 120.51 3d33 s VAL 59 Ca -0.05 -0.25 0.01 0.00 0.00 0.00 0.00 61.98 61.68 3d33 s VAL 59 Cb -0.10 -0.47 -0.04 0.00 0.00 0.00 0.00 36.38 35.77 3d33 s VAL 59 CO 0.01 0.17 -0.02 0.72 0.00 0.00 0.00 175.10 175.98 3d33 s PHE 60 N 0.07 0.91 -0.05 5.22 -0.12 -0.50 -0.75 117.98 122.76 3d33 s PHE 60 Ca -0.01 -1.03 0.06 0.00 -0.05 0.00 0.00 56.93 55.91 3d33 s PHE 60 Cb -0.05 -0.54 -0.02 0.00 -0.63 0.00 0.00 43.02 41.79 3d33 s PHE 60 CO -0.00 -0.28 -0.24 0.95 -0.05 0.00 0.00 175.22 175.60 3d33 s THR 61 N -3.77 2.18 -0.36 -4.49 -4.23 0.36 -0.69 115.64 104.65 3d33 s THR 61 Ca 0.17 -1.03 0.00 0.00 -1.18 0.00 0.00 61.69 59.65 3d33 s THR 61 Cb 0.06 -1.79 0.12 0.00 1.34 0.00 0.00 72.50 72.23 3d33 s THR 61 CO -0.02 0.57 0.15 -0.62 -0.54 0.00 0.00 174.62 174.17 3d33 s ASP 62 N -0.33 3.84 1.81 3.99 2.15 -0.59 -1.21 116.67 126.32 3d33 s ASP 62 Ca 0.02 -2.05 0.00 0.00 0.43 0.00 0.00 52.55 50.95 3d33 s ASP 62 Cb -0.12 -0.91 0.00 0.00 -0.30 0.00 0.00 42.92 41.59 3d33 s ASP 62 CO 0.02 -0.35 0.00 0.61 -0.17 0.00 0.00 175.17 175.28 3d33 n GLY 63 N 4.31 3.83 1.50 2.66 0.00 -1.26 -2.92 105.19 113.31 3d33 n GLY 63 Ca 0.03 0.06 0.04 0.00 0.00 0.00 0.00 46.02 46.15 3d33 n GLY 63 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 3d33 n TYR 64 N 12.69 1.69 -4.96 1.61 4.11 -1.26 -4.89 117.16 126.14 3d33 n TYR 64 Ca 0.00 -0.95 -0.32 0.00 -0.00 0.00 0.00 57.90 56.62 3d33 n TYR 64 Cb 0.00 -0.48 -0.17 0.00 -0.00 0.00 0.00 39.34 38.69 3d33 n TYR 64 CO 0.00 0.00 0.00 -1.17 -0.00 0.00 0.00 176.86 175.69 3d33 s LEU 65 N -2.88 2.17 -0.13 -3.48 2.96 -1.15 -0.97 118.68 115.20 3d33 s LEU 65 Ca 0.50 -0.55 -0.12 0.00 -0.22 0.00 0.00 54.13 53.74 3d33 s LEU 65 Cb 0.40 -1.45 -0.05 0.00 0.50 0.00 0.00 46.19 45.59 3d33 s LEU 65 CO 0.12 0.13 0.26 -0.22 -1.32 0.00 0.00 176.35 175.31 3d33 s LEU 66 N 0.52 4.30 -0.13 -0.68 0.20 0.90 -1.55 118.68 122.25 3d33 s LEU 66 Ca -0.14 0.53 0.03 0.00 0.69 0.00 0.00 54.13 55.24 3d33 s LEU 66 Cb -0.17 -2.30 0.01 0.00 -0.43 0.00 0.00 46.19 43.30 3d33 s LEU 66 CO 0.05 0.21 -0.21 -0.89 -0.29 0.00 0.00 176.35 175.21 3d33 s THR 67 N -0.07 1.97 -0.13 3.68 2.01 0.13 -0.63 115.64 122.60 3d33 s THR 67 Ca 0.16 -0.94 -0.02 0.00 0.31 0.00 0.00 61.69 61.21 3d33 s THR 67 Cb -0.13 -1.74 -0.02 0.00 0.01 0.00 0.00 72.50 70.62 3d33 s THR 67 CO 0.04 0.53 -0.08 -0.22 -0.69 0.00 0.00 174.62 174.21 3d33 s LEU 68 N 0.74 3.01 0.04 4.42 0.20 0.08 -1.42 118.68 125.76 3d33 s LEU 68 Ca -0.09 -0.20 0.08 0.00 0.69 0.00 0.00 54.13 54.60 3d33 s LEU 68 Cb -0.16 -1.70 -0.03 0.00 -0.43 0.00 0.00 46.19 43.88 3d33 s LEU 68 CO 0.00 0.19 -0.23 -0.54 -0.29 0.00 0.00 176.35 175.48 3d33 s LYS 69 N 0.23 1.55 -0.22 1.98 1.02 -0.34 -1.53 119.74 122.42 3d33 s LYS 69 Ca -0.05 -1.01 -0.00 0.00 0.02 0.00 0.00 55.97 54.93 3d33 s LYS 69 Cb -0.15 -1.69 0.06 0.00 -0.52 0.00 0.00 37.83 35.53 3d33 s LYS 69 CO 0.04 0.43 -0.03 1.21 -0.92 0.00 0.00 175.35 176.08 3d33 s ASN 70 N -1.21 3.60 0.18 2.83 3.84 -0.40 -1.61 114.94 122.16 3d33 s ASN 70 Ca 0.09 -1.07 0.23 0.00 0.21 0.00 0.00 52.86 52.32 3d33 s ASN 70 Cb -0.09 -1.04 0.90 0.00 -0.55 0.00 0.00 41.25 40.47 3d33 s ASN 70 CO 0.02 -0.25 1.71 0.00 -2.79 0.00 0.00 177.10 175.80 3d33 n ALA 71 N 4.76 1.90 -3.13 1.71 0.00 -0.24 -4.15 120.51 121.36 3d33 n ALA 71 Ca -0.11 0.01 -0.21 0.00 0.00 0.00 0.00 53.44 53.13 3d33 n ALA 71 Cb 0.45 -1.40 -0.05 0.00 0.00 0.00 0.00 19.45 18.45 3d33 n ALA 71 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3d33 n SER 72 N -2.06 -0.42 -4.67 0.00 3.41 -1.26 -5.09 113.62 103.53 3d33 n SER 72 Ca 0.04 -2.76 -0.46 0.00 -0.26 0.00 0.00 58.87 55.43 3d33 n SER 72 Cb 0.29 -0.21 -0.04 0.00 -0.26 0.00 0.00 64.21 63.99 3d33 n SER 72 CO 0.00 0.00 0.00 -2.65 -0.16 0.00 0.00 175.04 172.23 3d33 n PRO 73 N 1.59 2.47 0.00 4.33 -0.02 -1.26 -4.78 135.00 137.33 3d33 n PRO 73 Ca 0.20 0.90 0.00 0.00 -2.02 0.00 0.00 63.50 62.58 3d33 n PRO 73 Cb 0.54 -2.79 0.00 0.00 -0.02 0.00 0.00 33.50 31.23 3d33 n PRO 73 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 3d33 n ASP 74 N 6.69 0.00 -3.50 2.55 5.68 -1.26 -5.05 116.55 121.66 3d33 n ASP 74 Ca 0.21 -1.00 -0.15 0.00 -0.50 0.00 0.00 54.79 53.35 3d33 n ASP 74 Cb 0.34 0.00 -0.05 0.00 -1.14 0.00 0.00 41.12 40.27 3d33 n ASP 74 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3d33 s ARG 75 N 0.00 1.05 1.31 0.11 1.70 -1.26 -5.07 118.95 116.79 3d33 s ARG 75 Ca 0.00 0.03 -0.20 0.00 -0.47 0.00 0.00 55.73 55.09 3d33 s ARG 75 Cb 0.00 0.49 0.33 0.00 -0.57 0.00 0.00 34.95 35.20 3d33 s ARG 75 CO 0.00 -0.37 1.00 -0.51 -1.08 0.00 0.00 175.30 174.34 3d33 s ASP 76 N -1.64 -0.09 -0.26 -2.89 1.01 -1.26 -3.97 116.67 107.56 3d33 s ASP 76 Ca -0.06 0.87 -0.20 0.00 0.71 0.00 0.00 52.55 53.87 3d33 s ASP 76 Cb -0.00 -1.26 0.07 0.00 1.01 0.00 0.00 42.92 42.74 3d33 s ASP 76 CO 0.02 -4.77 0.68 -0.89 0.21 0.00 0.00 175.17 170.42 3d33 s THR 78 N -2.55 -0.00 -0.09 -1.27 2.01 0.05 -1.71 115.64 112.08 3d33 s THR 78 Ca 0.69 0.00 0.02 0.00 0.31 0.00 0.00 61.69 62.72 3d33 s THR 78 Cb -0.14 -0.96 -0.02 0.00 0.01 0.00 0.00 72.50 71.40 3d33 s THR 78 CO 0.58 0.00 -0.16 -0.63 -0.69 0.00 0.00 174.62 173.72 3d33 s ILE 79 N 0.91 2.82 -0.03 1.82 1.01 -0.21 -1.02 121.20 126.49 3d33 s ILE 79 Ca -0.04 -0.77 0.01 0.00 0.00 0.00 0.00 60.65 59.84 3d33 s ILE 79 Cb -0.05 -2.13 0.02 0.00 0.01 0.00 0.00 42.46 40.31 3d33 s ILE 79 CO -0.08 0.55 -0.02 -0.60 0.00 0.00 0.00 174.94 174.80 3d33 s ARG 80 N -0.05 0.45 -0.10 2.79 3.52 -0.27 -1.07 118.95 124.22 3d33 s ARG 80 Ca -0.04 -0.02 0.04 0.00 -0.13 0.00 0.00 55.73 55.58 3d33 s ARG 80 Cb -0.14 -0.55 -0.00 0.00 -1.56 0.00 0.00 34.95 32.70 3d33 s ARG 80 CO 0.04 -0.07 -0.24 0.42 -0.81 0.00 0.00 175.30 174.64 3d33 s ILE 81 N 0.77 2.08 -0.06 4.11 1.01 0.30 -1.01 121.20 128.40 3d33 s ILE 81 Ca -0.08 -1.01 0.03 0.00 0.00 0.00 0.00 60.65 59.58 3d33 s ILE 81 Cb -0.12 -1.79 0.01 0.00 0.01 0.00 0.00 42.46 40.57 3d33 s ILE 81 CO -0.01 0.56 -0.14 -0.89 0.00 0.00 0.00 174.94 174.46 3d33 s THR 82 N 0.33 1.22 0.00 2.92 2.01 -0.17 -0.92 115.64 121.03 3d33 s THR 82 Ca -0.19 -0.55 0.00 0.00 0.31 0.00 0.00 61.69 61.27 3d33 s THR 82 Cb -0.18 -1.10 0.00 0.00 0.01 0.00 0.00 72.50 71.23 3d33 s THR 82 CO 0.09 0.37 0.00 -0.90 -0.69 0.00 0.00 174.62 173.49 3d33 n ASP 83 N 3.65 0.00 0.00 3.53 5.75 -0.01 -0.36 116.55 129.11 3d33 n ASP 83 Ca -0.22 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.56 3d33 n ASP 83 Cb 0.52 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.61 3d33 n ASP 83 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3d33 n ALA 85 N -3.00 0.00 0.00 2.12 0.00 -1.26 -1.15 120.51 117.22 3d33 n ALA 85 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3d33 n ALA 85 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3d33 n ALA 85 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3d33 n LYS 86 N 0.00 6.49 -1.78 0.00 5.02 -1.26 -5.02 118.16 121.60 3d33 n LYS 86 Ca 0.00 0.00 -0.08 0.00 -2.02 0.00 0.00 58.31 56.21 3d33 n LYS 86 Cb 0.00 -0.48 -0.02 0.00 -0.02 0.00 0.00 35.03 34.51 3d33 n LYS 86 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3d33 n GLY 87 N 0.97 0.42 3.77 0.72 0.00 -0.30 -5.02 105.19 105.74 3d33 n GLY 87 Ca 0.00 -0.61 -0.40 0.00 0.00 0.00 0.00 46.02 45.02 3d33 n GLY 87 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3d33 s GLY 88 N -2.75 2.87 -0.19 -0.02 0.00 -1.24 -4.77 107.32 101.22 3d33 s GLY 88 Ca 0.00 0.33 -0.28 0.00 0.00 0.00 0.00 44.72 44.77 3d33 s GLY 88 CO 0.00 0.94 0.96 0.14 0.00 0.00 0.00 173.10 175.14 3d33 s VAL 89 N -0.77 4.76 -0.54 1.40 1.01 -1.26 -0.83 120.40 124.18 3d33 s VAL 89 Ca 0.37 1.89 0.22 0.00 0.00 0.00 0.00 61.98 64.45 3d33 s VAL 89 Cb -0.22 -4.25 -0.27 0.00 0.00 0.00 0.00 36.38 31.63 3d33 s VAL 89 CO 0.25 -0.08 0.72 1.33 0.00 0.00 0.00 175.10 177.31 3d33 n VAL 90 N 5.02 0.01 -3.66 2.92 0.24 -0.10 -4.94 118.33 117.82 3d33 n VAL 90 Ca 0.09 -0.24 -0.08 0.00 -2.04 0.00 0.00 64.34 62.07 3d33 n VAL 90 Cb 0.47 0.50 -0.08 0.00 -1.47 0.00 0.00 33.84 33.26 3d33 n VAL 90 CO 0.00 0.00 0.00 -0.47 -2.14 0.00 0.00 176.83 174.22 3d33 s TYR 91 N -3.25 -0.94 -0.07 6.34 6.14 -1.19 -4.99 117.35 119.39 3d33 s TYR 91 Ca 0.00 1.86 -0.05 0.00 0.64 0.00 0.00 57.07 59.53 3d33 s TYR 91 Cb 0.15 0.52 0.03 0.00 0.42 0.00 0.00 41.96 43.08 3d33 s TYR 91 CO 0.88 -0.48 0.16 -1.83 0.64 0.00 0.00 175.55 174.93 3d33 s GLU 92 N 1.72 0.16 -0.13 4.97 -1.05 -1.26 -0.54 118.70 122.57 3d33 s GLU 92 Ca -0.09 0.29 -0.06 0.00 -0.15 0.00 0.00 54.97 54.96 3d33 s GLU 92 Cb -0.07 -0.01 0.06 0.00 -0.44 0.00 0.00 34.13 33.67 3d33 s GLU 92 CO -0.17 -0.08 0.30 1.21 0.95 0.00 0.00 175.26 177.47 3d33 s ASN 93 N 0.51 -0.14 -0.30 0.83 3.84 -0.23 -5.00 114.94 114.46 3d33 s ASN 93 Ca -0.03 0.66 -0.19 0.00 0.21 0.00 0.00 52.86 53.50 3d33 s ASN 93 Cb -0.05 0.65 -0.01 0.00 -0.55 0.00 0.00 41.25 41.28 3d33 s ASN 93 CO -0.02 -0.20 0.56 -1.81 -2.79 0.00 0.00 177.10 172.84 3d33 s ASP 94 N 1.74 6.43 -0.26 -4.21 1.01 -1.26 -1.05 116.67 119.07 3d33 s ASP 94 Ca -0.06 0.37 -0.05 0.00 0.71 0.00 0.00 52.55 53.52 3d33 s ASP 94 Cb -0.11 -2.30 0.01 0.00 1.01 0.00 0.00 42.92 41.53 3d33 s ASP 94 CO -0.10 -0.41 0.01 -0.63 0.21 0.00 0.00 175.17 174.25 3d33 s ILE 95 N 2.46 3.51 0.69 0.77 1.01 -1.26 -5.00 121.20 123.37 3d33 s ILE 95 Ca 0.22 -0.73 -0.16 0.00 0.00 0.00 0.00 60.65 59.98 3d33 s ILE 95 Cb -0.15 -2.75 0.01 0.00 0.01 0.00 0.00 42.46 39.58 3d33 s ILE 95 CO 0.11 0.20 1.21 -2.84 0.00 0.00 0.00 174.94 173.63 3d33 s PRO 96 N 1.44 2.42 0.27 2.79 0.02 -1.26 -4.59 135.00 136.10 3d33 s PRO 96 Ca 0.03 1.78 -0.01 0.00 0.02 0.00 0.00 61.00 62.82 3d33 s PRO 96 Cb -0.16 -1.86 0.62 0.00 0.02 0.00 0.00 34.50 33.12 3d33 s PRO 96 CO -0.01 -1.63 1.65 1.49 -0.33 0.00 0.00 177.00 178.17 3d33 h GLU 97 N 0.09 0.19 0.00 5.54 4.81 -1.91 0.81 114.58 124.12 3d33 h GLU 97 Ca -0.49 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 58.72 3d33 h GLU 97 Cb 1.30 -0.04 -0.00 0.00 0.63 0.00 0.00 28.75 30.63 3d33 h GLU 97 CO 0.52 0.13 -0.06 -0.39 -0.73 0.00 0.00 179.01 178.47 3d33 h VAL 98 N 0.20 0.68 -0.48 0.32 -1.51 -1.90 -1.58 116.25 111.98 3d33 h VAL 98 Ca 0.51 -0.25 0.00 0.00 -1.23 0.00 0.00 66.70 65.73 3d33 h VAL 98 Cb 0.98 1.15 0.00 0.00 -2.13 0.00 0.00 31.29 31.29 3d33 h VAL 98 CO -0.64 0.06 0.00 0.00 -1.23 0.00 0.00 177.57 175.76 3d33 n GLN 99 N -3.93 2.54 0.00 5.19 6.02 0.25 -4.64 117.38 122.81 3d33 n GLN 99 Ca -0.03 -2.36 0.14 0.00 -0.01 0.00 0.00 57.00 54.74 3d33 n GLN 99 Cb 0.15 -1.51 0.65 0.00 1.02 0.00 0.00 30.24 30.56 3d33 n GLN 99 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 3d33 n SER 100 N 1.46 0.53 0.22 1.08 3.41 -0.59 -3.99 113.62 115.74 3d33 n SER 100 Ca 0.20 -0.76 0.09 0.00 -0.26 0.00 0.00 58.87 58.14 3d33 n SER 100 Cb 0.59 -0.05 0.49 0.00 -0.26 0.00 0.00 64.21 64.98 3d33 n SER 100 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3d33 h ALA 101 N 3.77 1.10 -1.55 7.33 0.00 -1.81 -3.37 119.26 124.74 3d33 h ALA 101 Ca 0.00 -0.22 0.11 0.00 0.00 0.00 0.00 54.91 54.80 3d33 h ALA 101 Cb 0.32 -0.04 -0.23 0.00 0.00 0.00 0.00 17.79 17.84 3d33 h ALA 101 CO 0.00 0.30 0.12 -0.47 0.00 0.00 0.00 179.25 179.20 3d33 s TYR 102 N -3.80 -0.91 -0.02 0.00 5.04 -1.26 -1.28 117.35 115.12 3d33 s TYR 102 Ca -0.01 1.65 -0.01 0.00 -2.44 0.00 0.00 57.07 56.27 3d33 s TYR 102 Cb 0.11 0.55 0.02 0.00 0.35 0.00 0.00 41.96 42.99 3d33 s TYR 102 CO 0.64 -0.45 0.05 0.42 -1.34 0.00 0.00 175.55 174.87 3d33 s ILE 103 N 2.24 -0.02 0.03 3.14 -1.09 -0.58 -5.01 121.20 119.90 3d33 s ILE 103 Ca -0.06 0.08 0.07 0.00 -2.23 0.00 0.00 60.65 58.52 3d33 s ILE 103 Cb -0.07 -0.09 -0.03 0.00 -1.58 0.00 0.00 42.46 40.69 3d33 s ILE 103 CO -0.18 0.03 -0.19 0.42 -1.23 0.00 0.00 174.94 173.80 3d33 s THR 104 N 0.46 2.72 -0.07 2.92 -4.23 -1.26 -0.74 115.64 115.45 3d33 s THR 104 Ca -0.04 -1.16 -0.01 0.00 -1.18 0.00 0.00 61.69 59.30 3d33 s THR 104 Cb -0.05 -2.13 0.03 0.00 1.34 0.00 0.00 72.50 71.69 3d33 s THR 104 CO -0.02 0.37 -0.00 -0.63 -0.54 0.00 0.00 174.62 173.81 3d33 s ILE 105 N -0.89 0.38 -0.10 2.99 1.01 0.20 -4.98 121.20 119.81 3d33 s ILE 105 Ca 0.14 0.11 -0.30 0.00 0.00 0.00 0.00 60.65 60.61 3d33 s ILE 105 Cb -0.10 -0.53 -0.02 0.00 0.01 0.00 0.00 42.46 41.82 3d33 s ILE 105 CO 0.04 0.26 1.15 -0.55 0.00 0.00 0.00 174.94 175.84 3d33 s SER 106 N 1.90 7.08 0.00 3.58 0.15 -1.26 -0.07 113.70 125.08 3d33 s SER 106 Ca 0.04 1.69 0.21 0.00 0.70 0.00 0.00 55.95 58.59 3d33 s SER 106 Cb -0.12 -2.55 0.54 0.00 -1.71 0.00 0.00 66.02 62.18 3d33 s SER 106 CO -0.05 -0.60 1.46 2.30 1.20 0.00 0.00 173.24 177.55 3d33 n ILE 107 N 4.81 0.87 0.24 6.45 -5.35 -0.15 -4.68 119.36 121.56 3d33 n ILE 107 Ca 0.11 -0.93 0.09 0.00 -0.27 0.00 0.00 62.75 61.74 3d33 n ILE 107 Cb 0.46 0.62 0.62 0.00 -1.74 0.00 0.00 39.64 39.61 3d33 n ILE 107 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3d33 h ALA 108 N 3.99 1.52 -0.32 -1.28 0.00 -1.90 -2.12 119.26 119.15 3d33 h ALA 108 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.77 3d33 h ALA 108 Cb 0.95 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.71 3d33 h ALA 108 CO 0.00 0.19 0.00 0.09 0.00 0.00 0.00 179.25 179.53 3d33 n ASN 109 N -4.02 3.07 -4.76 0.00 4.13 -1.26 -4.94 115.26 107.48 3d33 n ASN 109 Ca -0.02 -2.19 -0.40 0.00 1.68 0.00 0.00 54.58 53.65 3d33 n ASN 109 Cb 0.23 -0.28 -0.05 0.00 -1.54 0.00 0.00 39.78 38.14 3d33 n ASN 109 CO 0.00 0.00 0.00 -0.36 0.28 0.00 0.00 177.26 177.18 3d33 s PHE 110 N -1.33 3.67 0.69 3.10 0.08 -0.80 -5.02 117.98 118.37 3d33 s PHE 110 Ca 0.26 1.75 -0.17 0.00 0.12 0.00 0.00 56.93 58.89 3d33 s PHE 110 Cb 0.16 -3.22 0.01 0.00 -0.57 0.00 0.00 43.02 39.40 3d33 s PHE 110 CO 0.14 -0.32 1.14 -2.30 -0.10 0.00 0.00 175.22 173.78 3d33 n PRO 111 N 1.28 0.75 -1.63 0.24 -0.02 -1.26 -4.88 135.00 129.47 3d33 n PRO 111 Ca -0.01 0.31 -0.43 0.00 -2.02 0.00 0.00 63.50 61.35 3d33 n PRO 111 Cb 0.45 -2.38 -0.03 0.00 -0.02 0.00 0.00 33.50 31.52 3d33 n PRO 111 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3d33 n ALA 112 N -2.31 1.64 -3.61 3.55 0.00 -1.26 -4.76 120.51 113.76 3d33 n ALA 112 Ca 0.14 -0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.59 3d33 n ALA 112 Cb 0.49 -2.78 -0.01 0.00 0.00 0.00 0.00 19.45 17.15 3d33 n ALA 112 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 3d33 s GLU 113 N 5.35 0.29 0.11 0.00 2.56 -0.80 -4.98 118.70 121.22 3d33 s GLU 113 Ca 0.95 -0.15 -0.19 0.00 0.00 0.00 0.00 54.97 55.58 3d33 s GLU 113 Cb -0.41 0.11 -0.07 0.00 2.00 0.00 0.00 34.13 35.76 3d33 s GLU 113 CO 0.40 -0.13 0.60 -2.00 -0.56 0.00 0.00 175.26 173.56 3d33 s GLU 114 N -2.33 4.19 0.03 4.30 2.12 -1.26 -0.80 118.70 124.95 3d33 s GLU 114 Ca 0.13 0.74 0.07 0.00 0.36 0.00 0.00 54.97 56.27 3d33 s GLU 114 Cb 0.04 -3.14 -0.02 0.00 0.26 0.00 0.00 34.13 31.26 3d33 s GLU 114 CO -0.04 0.58 -0.20 0.71 -0.54 0.00 0.00 175.26 175.76 3d33 s TYR 115 N -1.23 1.77 -0.16 5.30 2.02 0.81 -4.58 117.35 121.29 3d33 s TYR 115 Ca 0.33 -0.36 -0.15 0.00 -0.37 0.00 0.00 57.07 56.52 3d33 s TYR 115 Cb -0.19 -1.07 -0.04 0.00 -0.40 0.00 0.00 41.96 40.25 3d33 s TYR 115 CO 0.20 0.06 0.33 0.21 -1.57 0.00 0.00 175.55 174.78 3d33 s LYS 116 N -1.02 4.26 -0.19 -0.62 2.20 0.52 -1.30 119.74 123.60 3d33 s LYS 116 Ca 0.07 0.15 -0.03 0.00 -0.36 0.00 0.00 55.97 55.80 3d33 s LYS 116 Cb -0.08 -3.44 -0.01 0.00 -1.51 0.00 0.00 37.83 32.78 3d33 s LYS 116 CO 0.01 0.19 -0.06 -1.17 -0.36 0.00 0.00 175.35 173.96 3d33 s LEU 117 N 0.59 2.92 -0.09 5.43 2.96 0.45 -1.00 118.68 129.95 3d33 s LEU 117 Ca 0.18 -0.32 0.03 0.00 -0.22 0.00 0.00 54.13 53.80 3d33 s LEU 117 Cb -0.13 -1.72 0.01 0.00 0.50 0.00 0.00 46.19 44.84 3d33 s LEU 117 CO 0.05 0.06 -0.19 -1.61 -1.32 0.00 0.00 176.35 173.34 3d33 s GLU 118 N 0.98 2.50 -0.19 1.98 2.02 -0.18 -0.73 118.70 125.09 3d33 s GLU 118 Ca -0.00 -0.69 0.01 0.00 0.02 0.00 0.00 54.97 54.31 3d33 s GLU 118 Cb -0.15 -1.94 0.03 0.00 0.10 0.00 0.00 34.13 32.17 3d33 s GLU 118 CO 0.00 0.11 -0.16 0.42 0.02 0.00 0.00 175.26 175.65 3d33 s ILE 119 N 0.49 1.92 0.10 -1.63 1.01 0.14 -1.11 121.20 122.12 3d33 s ILE 119 Ca -0.17 -1.01 0.10 0.00 0.00 0.00 0.00 60.65 59.57 3d33 s ILE 119 Cb -0.17 -1.84 -0.04 0.00 0.01 0.00 0.00 42.46 40.43 3d33 s ILE 119 CO 0.06 0.37 -0.27 0.42 0.00 0.00 0.00 174.94 175.52 3d33 s THR 120 N 1.31 2.23 0.23 2.92 -4.23 -0.19 -0.73 115.64 117.19 3d33 s THR 120 Ca 0.02 -1.62 0.10 0.00 -1.18 0.00 0.00 61.69 59.00 3d33 s THR 120 Cb -0.15 -1.95 -0.04 0.00 1.34 0.00 0.00 72.50 71.70 3d33 s THR 120 CO -0.10 0.19 -0.08 -0.83 -0.54 0.00 0.00 174.62 173.25 3d33 s GLY 121 N -1.77 1.72 -0.11 3.99 0.00 -0.13 -0.77 107.32 110.26 3d33 s GLY 121 Ca 0.13 -1.61 0.03 0.00 0.00 0.00 0.00 44.72 43.27 3d33 s GLY 121 CO 0.05 -1.66 -0.20 -1.59 0.00 0.00 0.00 173.10 169.70 3d33 s THR 122 N -2.06 2.45 -0.94 0.90 2.01 -0.70 -2.38 115.64 114.92 3d33 s THR 122 Ca 0.28 -0.88 0.24 0.00 0.31 0.00 0.00 61.69 61.63 3d33 s THR 122 Cb -0.07 -1.97 0.21 0.00 0.01 0.00 0.00 72.50 70.67 3d33 s THR 122 CO 0.17 0.55 1.76 -0.81 -0.69 0.00 0.00 174.62 175.59 3d33 n PRO 123 N 3.44 0.04 -4.03 4.92 -0.04 -1.26 -4.14 135.00 133.93 3d33 n PRO 123 Ca -0.18 0.13 -0.10 0.00 -0.04 0.00 0.00 63.50 63.31 3d33 n PRO 123 Cb 0.53 -1.55 -0.06 0.00 -0.04 0.00 0.00 33.50 32.37 3d33 n PRO 123 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 3d33 s SER 124 N -3.23 -0.05 0.00 3.54 1.04 -1.00 -5.13 113.70 108.86 3d33 s SER 124 Ca 0.11 -1.00 0.00 0.00 0.48 0.00 0.00 55.95 55.54 3d33 s SER 124 Cb 0.15 0.55 0.00 0.00 0.10 0.00 0.00 66.02 66.82 3d33 s SER 124 CO 0.45 -1.09 0.00 0.61 0.98 0.00 0.00 173.24 174.18 3d33 n GLY 125 N -0.36 3.48 3.21 7.32 0.00 -1.26 -3.84 105.19 113.74 3d33 n GLY 125 Ca -0.01 -1.36 -0.01 0.00 0.00 0.00 0.00 46.02 44.63 3d33 n GLY 125 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3d33 s HIS 126 N -0.18 -1.29 -0.02 1.61 2.46 0.42 -0.96 115.29 117.33 3d33 s HIS 126 Ca 0.00 1.62 0.06 0.00 0.47 0.00 0.00 55.06 57.21 3d33 s HIS 126 Cb 0.00 0.46 -0.02 0.00 -0.13 0.00 0.00 32.58 32.90 3d33 s HIS 126 CO 0.00 -0.76 -0.21 -0.51 -2.47 0.00 0.00 174.74 170.79 3d33 s LEU 127 N 2.77 2.04 -0.00 8.88 1.43 0.09 -1.69 118.68 132.20 3d33 s LEU 127 Ca 0.11 -0.38 0.04 0.00 -1.03 0.00 0.00 54.13 52.88 3d33 s LEU 127 Cb -0.14 -1.07 -0.01 0.00 0.03 0.00 0.00 46.19 45.00 3d33 s LEU 127 CO -0.19 0.25 -0.12 -0.89 0.23 0.00 0.00 176.35 175.64 3d33 s THR 128 N -0.47 0.92 0.30 5.49 2.01 -0.24 -0.68 115.64 122.97 3d33 s THR 128 Ca 0.08 -0.57 -0.02 0.00 0.31 0.00 0.00 61.69 61.49 3d33 s THR 128 Cb -0.08 -0.79 -0.01 0.00 0.01 0.00 0.00 72.50 71.63 3d33 s THR 128 CO -0.01 0.21 0.37 -0.83 -0.69 0.00 0.00 174.62 173.68 3d33 s GLY 129 N -0.40 1.48 0.02 4.40 0.00 0.09 -1.07 107.32 111.84 3d33 s GLY 129 Ca 0.04 -1.55 0.01 0.00 0.00 0.00 0.00 44.72 43.22 3d33 s GLY 129 CO -0.00 -1.10 -0.05 -0.19 0.00 0.00 0.00 173.10 171.76 3d33 s TYR 130 N -3.49 0.43 0.07 1.90 1.51 -1.26 -0.41 117.35 116.10 3d33 s TYR 130 Ca 0.33 -0.32 -0.10 0.00 -1.01 0.00 0.00 57.07 55.96 3d33 s TYR 130 Cb 0.01 -0.27 0.00 0.00 -0.11 0.00 0.00 41.96 41.60 3d33 s TYR 130 CO 0.18 -0.07 0.22 -0.59 -1.11 0.00 0.00 175.55 174.18 3d33 s PHE 131 N -0.86 0.07 -0.11 2.71 -0.12 -0.42 -4.75 117.98 114.49 3d33 s PHE 131 Ca -0.07 -0.38 0.02 0.00 -0.05 0.00 0.00 56.93 56.46 3d33 s PHE 131 Cb -0.06 -0.01 -0.01 0.00 -0.63 0.00 0.00 43.02 42.31 3d33 s PHE 131 CO -0.00 -0.51 -0.18 0.99 -0.05 0.00 0.00 175.22 175.47 3d33 s THR 132 N -3.22 2.57 -0.17 -4.49 2.01 -1.26 -0.13 115.64 110.94 3d33 s THR 132 Ca -0.00 -0.84 -0.17 0.00 0.31 0.00 0.00 61.69 61.00 3d33 s THR 132 Cb 0.02 -2.04 -0.04 0.00 0.01 0.00 0.00 72.50 70.45 3d33 s THR 132 CO -0.08 0.54 0.42 -0.75 -0.69 0.00 0.00 174.62 174.07 3d33 s LYS 133 N 0.34 4.25 0.00 4.92 2.47 0.02 -4.97 119.74 126.77 3d33 s LYS 133 Ca -0.15 0.29 0.14 0.00 -1.56 0.00 0.00 55.97 54.69 3d33 s LYS 133 Cb -0.17 -3.48 0.11 0.00 -1.46 0.00 0.00 37.83 32.83 3d33 s LYS 133 CO 0.07 0.07 0.94 0.39 0.16 0.00 0.00 175.35 176.99