#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 3.65 -0.26 -1.45 -7.23 -1.26 -5.02 120.40 108.83 3d33 s VAL 35 Ca 0.00 0.54 -0.10 0.00 -1.81 0.00 0.00 61.98 60.60 3d33 s VAL 35 Cb 0.00 -3.23 -0.05 0.00 0.56 0.00 0.00 36.38 33.66 3d33 s VAL 35 CO 0.00 -0.70 0.16 -0.54 -0.31 0.00 0.00 175.10 173.71 3d33 s LYS 36 N -5.05 3.95 0.24 4.82 -0.14 -0.33 -4.94 119.74 118.30 3d33 s LYS 36 Ca 0.59 -0.33 -0.30 0.00 -1.36 0.00 0.00 55.97 54.58 3d33 s LYS 36 Cb -0.15 -3.57 -0.10 0.00 -1.68 0.00 0.00 37.83 32.34 3d33 s LYS 36 CO 0.55 -0.10 1.37 0.34 -0.76 0.00 0.00 175.35 176.75 3d33 s ASP 37 N 1.50 6.77 -0.47 2.83 2.15 -1.26 -1.03 116.67 127.15 3d33 s ASP 37 Ca 0.07 2.57 -0.10 0.00 0.43 0.00 0.00 52.55 55.52 3d33 s ASP 37 Cb -0.15 -2.62 0.11 0.00 -0.30 0.00 0.00 42.92 39.96 3d33 s ASP 37 CO 0.08 -0.60 0.35 -0.69 -0.17 0.00 0.00 175.17 174.14 3d33 s VAL 38 N -0.17 4.31 0.27 1.11 1.01 -0.31 -4.91 120.40 121.72 3d33 s VAL 38 Ca 0.56 -1.71 -0.30 0.00 0.00 0.00 0.00 61.98 60.54 3d33 s VAL 38 Cb -0.39 -3.81 -0.10 0.00 0.00 0.00 0.00 36.38 32.08 3d33 s VAL 38 CO 0.43 -0.75 1.40 -1.61 0.00 0.00 0.00 175.10 174.57 3d33 s GLU 39 N 1.39 4.29 -0.06 2.72 2.02 -1.26 -4.30 118.70 123.51 3d33 s GLU 39 Ca 0.05 2.27 0.03 0.00 0.02 0.00 0.00 54.97 57.34 3d33 s GLU 39 Cb -0.26 -3.10 -0.02 0.00 0.10 0.00 0.00 34.13 30.84 3d33 s GLU 39 CO 0.00 -0.35 -0.15 -0.51 0.02 0.00 0.00 175.26 174.27 3d33 s LEU 40 N -0.76 2.70 0.04 1.80 1.43 -1.26 -4.22 118.68 118.42 3d33 s LEU 40 Ca 0.56 -0.23 0.08 0.00 -1.03 0.00 0.00 54.13 53.51 3d33 s LEU 40 Cb -0.41 -1.56 -0.03 0.00 0.03 0.00 0.00 46.19 44.23 3d33 s LEU 40 CO 0.46 0.31 -0.22 -1.81 0.23 0.00 0.00 176.35 175.32 3d33 s ASP 41 N -0.53 2.62 0.00 2.29 1.01 -0.26 -4.90 116.67 116.90 3d33 s ASP 41 Ca 0.07 -0.54 0.00 0.00 0.71 0.00 0.00 52.55 52.80 3d33 s ASP 41 Cb -0.12 -0.22 0.00 0.00 1.01 0.00 0.00 42.92 43.59 3d33 s ASP 41 CO 0.01 0.18 0.00 0.61 0.21 0.00 0.00 175.17 176.19 3d33 n GLY 42 N 1.84 0.09 2.85 0.21 0.00 -1.26 -0.75 105.19 108.16 3d33 n GLY 42 Ca -0.17 -1.10 -0.17 0.00 0.00 0.00 0.00 46.02 44.58 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 0.36 -0.42 1.61 3.52 -0.82 -5.00 118.95 116.20 3d33 s ARG 43 Ca 0.00 0.01 0.05 0.00 -0.13 0.00 0.00 55.73 55.66 3d33 s ARG 43 Cb 0.00 -0.47 0.19 0.00 -1.56 0.00 0.00 34.95 33.11 3d33 s ARG 43 CO 0.00 -0.08 0.43 1.87 -0.81 0.00 0.00 175.30 176.71 3d33 n TRP 44 N 3.87 -1.24 -1.27 5.12 -0.00 -1.26 -0.71 117.44 121.95 3d33 n TRP 44 Ca -0.24 -3.09 -0.33 0.00 -0.00 0.00 0.00 57.50 53.85 3d33 n TRP 44 Cb 0.52 0.33 0.10 0.00 -0.00 0.00 0.00 31.31 32.26 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 -0.14 4.10 0.00 5.87 1.01 -1.26 -4.96 116.67 121.29 3d33 s ASP 45 Ca 0.33 2.15 0.00 0.00 0.71 0.00 0.00 52.55 55.74 3d33 s ASP 45 Cb 0.07 -2.56 0.00 0.00 1.01 0.00 0.00 42.92 41.43 3d33 s ASP 45 CO -0.17 -2.32 0.00 -0.67 0.21 0.00 0.00 175.17 172.22 3d33 n ASP 46 N -3.20 -1.65 0.00 0.27 -0.08 -1.26 -4.99 116.55 105.63 3d33 n ASP 46 Ca 0.12 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.40 3d33 n ASP 46 Cb 0.52 -0.49 0.00 0.00 2.34 0.00 0.00 41.12 43.49 3d33 n ASP 46 CO 0.00 0.00 0.00 -0.46 0.12 0.00 0.00 177.20 176.86 3d33 n ASN 54 N 1.62 0.00 -4.70 1.67 0.23 -1.26 -5.13 115.26 107.69 3d33 n ASN 54 Ca 0.00 0.00 -0.44 0.00 -0.53 0.00 0.00 54.58 53.61 3d33 n ASN 54 Cb 0.49 0.00 -0.03 0.00 -2.08 0.00 0.00 39.78 38.16 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 3.41 0.22 -3.55 0.00 -0.04 -1.26 -4.73 135.00 129.04 3d33 n PRO 56 Ca 0.15 0.39 -0.37 0.00 -0.04 0.00 0.00 63.50 63.63 3d33 n PRO 56 Cb 0.33 -1.87 -0.08 0.00 -0.04 0.00 0.00 33.50 31.83 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 -3.28 5.30 0.06 0.52 -1.09 -1.26 -0.75 121.20 120.70 3d33 s ILE 57 Ca 0.05 0.41 0.03 0.00 -2.23 0.00 0.00 60.65 58.91 3d33 s ILE 57 Cb 0.10 -3.59 -0.03 0.00 -1.58 0.00 0.00 42.46 37.36 3d33 s ILE 57 CO 0.44 0.32 -0.10 0.42 -1.23 0.00 0.00 174.94 174.80 3d33 s THR 58 N 1.05 0.75 -0.00 2.92 -4.23 -0.43 -4.96 115.64 110.74 3d33 s THR 58 Ca 0.13 -1.31 0.02 0.00 -1.18 0.00 0.00 61.69 59.35 3d33 s THR 58 Cb -0.14 -0.94 -0.01 0.00 1.34 0.00 0.00 72.50 72.75 3d33 s THR 58 CO 0.05 -0.42 -0.07 -0.69 -0.54 0.00 0.00 174.62 172.95 3d33 s VAL 59 N -1.75 0.56 0.05 2.29 1.01 -1.26 -0.90 120.40 120.40 3d33 s VAL 59 Ca -0.03 -0.34 -0.02 0.00 0.00 0.00 0.00 61.98 61.59 3d33 s VAL 59 Cb -0.07 -0.48 -0.04 0.00 0.00 0.00 0.00 36.38 35.79 3d33 s VAL 59 CO 0.00 0.13 -0.01 0.72 0.00 0.00 0.00 175.10 175.94 3d33 s PHE 60 N -0.23 0.48 -0.00 5.22 -0.12 -0.47 -1.16 117.98 121.70 3d33 s PHE 60 Ca 0.02 -1.02 0.08 0.00 -0.05 0.00 0.00 56.93 55.97 3d33 s PHE 60 Cb -0.03 -0.36 -0.02 0.00 -0.63 0.00 0.00 43.02 41.98 3d33 s PHE 60 CO -0.00 -0.39 -0.26 0.95 -0.05 0.00 0.00 175.22 175.46 3d33 s THR 61 N -3.90 2.07 -0.28 -4.49 -4.23 -0.20 -0.31 115.64 104.30 3d33 s THR 61 Ca 0.07 -1.18 -0.03 0.00 -1.18 0.00 0.00 61.69 59.37 3d33 s THR 61 Cb 0.08 -1.73 0.09 0.00 1.34 0.00 0.00 72.50 72.28 3d33 s THR 61 CO -0.10 0.52 0.10 -0.62 -0.54 0.00 0.00 174.62 173.98 3d33 s ASP 62 N -0.77 3.59 1.60 3.99 2.15 -0.37 -1.19 116.67 125.68 3d33 s ASP 62 Ca 0.10 -1.33 0.00 0.00 0.43 0.00 0.00 52.55 51.75 3d33 s ASP 62 Cb -0.10 -0.60 0.00 0.00 -0.30 0.00 0.00 42.92 41.92 3d33 s ASP 62 CO -0.00 -0.40 0.00 0.61 -0.17 0.00 0.00 175.17 175.20 3d33 n GLY 63 N 5.05 3.63 1.72 2.66 0.00 -1.26 -2.59 105.19 114.40 3d33 n GLY 63 Ca -0.05 0.03 -0.06 0.00 0.00 0.00 0.00 46.02 45.95 3d33 n GLY 63 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3d33 n TYR 64 N 14.00 2.08 -4.77 1.61 4.01 -1.26 -4.86 117.16 127.96 3d33 n TYR 64 Ca 0.00 -1.32 -0.33 0.00 -0.16 0.00 0.00 57.90 56.09 3d33 n TYR 64 Cb 0.00 -0.64 -0.15 0.00 -0.31 0.00 0.00 39.34 38.24 3d33 n TYR 64 CO 0.00 0.00 0.00 -1.17 -0.46 0.00 0.00 176.86 175.23 3d33 s LEU 65 N -3.06 2.50 -0.16 7.72 2.96 -1.07 -0.95 118.68 126.63 3d33 s LEU 65 Ca 0.52 -0.43 -0.11 0.00 -0.22 0.00 0.00 54.13 53.89 3d33 s LEU 65 Cb 0.43 -1.55 -0.05 0.00 0.50 0.00 0.00 46.19 45.52 3d33 s LEU 65 CO 0.10 0.13 0.21 -0.22 -1.32 0.00 0.00 176.35 175.25 3d33 s LEU 66 N 0.52 4.27 -0.10 -0.68 0.20 0.48 -1.23 118.68 122.14 3d33 s LEU 66 Ca -0.10 0.42 0.03 0.00 0.69 0.00 0.00 54.13 55.17 3d33 s LEU 66 Cb -0.16 -2.22 0.00 0.00 -0.43 0.00 0.00 46.19 43.38 3d33 s LEU 66 CO 0.04 0.20 -0.21 -0.89 -0.29 0.00 0.00 176.35 175.20 3d33 s THR 67 N 0.06 1.87 -0.13 3.68 2.01 0.57 -0.53 115.64 123.18 3d33 s THR 67 Ca 0.13 -0.90 -0.02 0.00 0.31 0.00 0.00 61.69 61.21 3d33 s THR 67 Cb -0.12 -1.64 -0.03 0.00 0.01 0.00 0.00 72.50 70.72 3d33 s THR 67 CO 0.02 0.52 -0.05 -0.22 -0.69 0.00 0.00 174.62 174.20 3d33 s LEU 68 N 0.52 3.18 0.06 4.42 0.20 0.19 -1.37 118.68 125.88 3d33 s LEU 68 Ca -0.15 -0.12 0.09 0.00 0.69 0.00 0.00 54.13 54.64 3d33 s LEU 68 Cb -0.17 -1.74 -0.03 0.00 -0.43 0.00 0.00 46.19 43.82 3d33 s LEU 68 CO 0.06 0.22 -0.24 -0.54 -0.29 0.00 0.00 176.35 175.56 3d33 s LYS 69 N 0.04 1.50 -0.20 1.98 1.02 -0.08 -1.72 119.74 122.28 3d33 s LYS 69 Ca -0.01 -1.09 -0.02 0.00 0.02 0.00 0.00 55.97 54.88 3d33 s LYS 69 Cb -0.14 -1.71 0.06 0.00 -0.52 0.00 0.00 37.83 35.52 3d33 s LYS 69 CO 0.03 0.43 0.01 1.21 -0.92 0.00 0.00 175.35 176.11 3d33 s ASN 70 N -1.42 3.07 0.00 2.83 3.84 0.03 -1.31 114.94 121.98 3d33 s ASN 70 Ca 0.10 -0.87 0.25 0.00 0.21 0.00 0.00 52.86 52.55 3d33 s ASN 70 Cb -0.10 -0.75 1.10 0.00 -0.55 0.00 0.00 41.25 40.96 3d33 s ASN 70 CO 0.03 -0.28 1.82 0.00 -2.79 0.00 0.00 177.10 175.88 3d33 n ALA 71 N 4.95 2.17 -3.10 1.71 0.00 0.07 -4.14 120.51 122.17 3d33 n ALA 71 Ca -0.10 -0.09 -0.20 0.00 0.00 0.00 0.00 53.44 53.05 3d33 n ALA 71 Cb 0.47 -1.41 -0.04 0.00 0.00 0.00 0.00 19.45 18.46 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 -1.49 -0.71 -4.69 0.00 3.41 -1.26 -5.09 113.62 103.80 3d33 n SER 72 Ca 0.07 -2.80 -0.43 0.00 -0.26 0.00 0.00 58.87 55.45 3d33 n SER 72 Cb 0.29 -0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.21 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 1.68 2.68 0.00 4.33 -0.02 -1.26 -4.78 135.00 137.63 3d33 n PRO 73 Ca 0.19 0.98 0.00 0.00 -2.02 0.00 0.00 63.50 62.65 3d33 n PRO 73 Cb 0.55 -2.86 0.00 0.00 -0.02 0.00 0.00 33.50 31.17 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 5.65 0.00 -3.47 2.55 5.68 -1.26 -5.05 116.55 120.65 3d33 n ASP 74 Ca 0.18 -1.00 -0.15 0.00 -0.50 0.00 0.00 54.79 53.33 3d33 n ASP 74 Cb 0.36 0.00 -0.04 0.00 -1.14 0.00 0.00 41.12 40.30 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 1.14 1.35 0.11 1.70 -1.26 -5.07 118.95 116.92 3d33 s ARG 75 Ca 0.00 -0.11 -0.21 0.00 -0.47 0.00 0.00 55.73 54.93 3d33 s ARG 75 Cb 0.00 0.53 0.34 0.00 -0.57 0.00 0.00 34.95 35.25 3d33 s ARG 75 CO 0.00 -0.44 0.98 -0.51 -1.08 0.00 0.00 175.30 174.26 3d33 s ASP 76 N -1.98 -0.45 -0.27 -2.89 1.01 -1.25 -4.00 116.67 106.84 3d33 s ASP 76 Ca -0.04 0.82 -0.20 0.00 0.71 0.00 0.00 52.55 53.84 3d33 s ASP 76 Cb -0.01 -1.16 0.07 0.00 1.01 0.00 0.00 42.92 42.84 3d33 s ASP 76 CO -0.02 -4.98 0.69 -0.89 0.21 0.00 0.00 175.17 170.18 3d33 s THR 78 N -2.49 -0.00 -0.12 -1.27 2.01 0.25 -1.04 115.64 112.98 3d33 s THR 78 Ca 0.69 0.00 0.01 0.00 0.31 0.00 0.00 61.69 62.70 3d33 s THR 78 Cb -0.13 -0.98 -0.01 0.00 0.01 0.00 0.00 72.50 71.39 3d33 s THR 78 CO 0.58 0.00 -0.15 -0.63 -0.69 0.00 0.00 174.62 173.73 3d33 s ILE 79 N 1.05 2.89 -0.04 1.82 1.01 -0.11 -0.79 121.20 127.04 3d33 s ILE 79 Ca -0.05 -0.72 0.02 0.00 0.00 0.00 0.00 60.65 59.89 3d33 s ILE 79 Cb -0.05 -2.20 0.01 0.00 0.01 0.00 0.00 42.46 40.23 3d33 s ILE 79 CO -0.10 0.53 -0.08 -0.60 0.00 0.00 0.00 174.94 174.69 3d33 s ARG 80 N 0.34 0.99 -0.11 2.79 3.52 -0.20 -1.18 118.95 125.11 3d33 s ARG 80 Ca -0.12 -0.24 0.04 0.00 -0.13 0.00 0.00 55.73 55.27 3d33 s ARG 80 Cb -0.16 -0.92 0.00 0.00 -1.56 0.00 0.00 34.95 32.31 3d33 s ARG 80 CO 0.06 0.03 -0.23 0.42 -0.81 0.00 0.00 175.30 174.78 3d33 s ILE 81 N 0.50 2.00 -0.07 4.11 1.01 0.09 -0.97 121.20 127.87 3d33 s ILE 81 Ca -0.08 -0.98 0.03 0.00 0.00 0.00 0.00 60.65 59.62 3d33 s ILE 81 Cb -0.11 -1.74 0.01 0.00 0.01 0.00 0.00 42.46 40.62 3d33 s ILE 81 CO 0.01 0.55 -0.14 -0.89 0.00 0.00 0.00 174.94 174.46 3d33 s THR 82 N 0.46 1.29 0.00 2.92 2.01 -0.25 -0.80 115.64 121.27 3d33 s THR 82 Ca -0.16 -0.57 0.00 0.00 0.31 0.00 0.00 61.69 61.26 3d33 s THR 82 Cb -0.17 -1.16 0.00 0.00 0.01 0.00 0.00 72.50 71.18 3d33 s THR 82 CO 0.06 0.39 0.00 -0.90 -0.69 0.00 0.00 174.62 173.48 3d33 n ASP 83 N 3.71 0.00 0.00 3.53 5.75 0.48 -0.57 116.55 129.46 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 0.01 2.12 0.00 -1.26 -1.10 120.51 117.28 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 4.46 -1.36 0.00 5.02 -1.26 -5.02 118.16 120.00 3d33 n LYS 86 Ca 0.00 -0.00 -0.04 0.00 -2.02 0.00 0.00 58.31 56.25 3d33 n LYS 86 Cb 0.00 -0.69 -0.01 0.00 -0.02 0.00 0.00 35.03 34.30 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 1.52 0.55 3.74 0.72 0.00 -0.26 -5.03 105.19 106.44 3d33 n GLY 87 Ca 0.00 -0.86 -0.40 0.00 0.00 0.00 0.00 46.02 44.76 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 -2.93 2.92 -0.17 -0.02 0.00 -1.24 -4.78 107.32 101.10 3d33 s GLY 88 Ca 0.00 0.44 -0.29 0.00 0.00 0.00 0.00 44.72 44.86 3d33 s GLY 88 CO 0.00 1.22 1.03 0.14 0.00 0.00 0.00 173.10 175.49 3d33 s VAL 89 N -0.26 4.72 -0.24 1.40 1.01 -1.26 -0.39 120.40 125.38 3d33 s VAL 89 Ca 0.42 2.03 0.22 0.00 0.00 0.00 0.00 61.98 64.65 3d33 s VAL 89 Cb -0.22 -4.31 -0.31 0.00 0.00 0.00 0.00 36.38 31.53 3d33 s VAL 89 CO 0.27 -0.09 0.57 1.33 0.00 0.00 0.00 175.10 177.18 3d33 n VAL 90 N 4.96 0.00 -3.68 2.92 0.24 0.02 -4.94 118.33 117.85 3d33 n VAL 90 Ca 0.11 -0.39 -0.09 0.00 -2.04 0.00 0.00 64.34 61.92 3d33 n VAL 90 Cb 0.47 0.21 -0.10 0.00 -1.47 0.00 0.00 33.84 32.96 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 -3.41 -0.74 -0.02 6.34 6.14 -1.16 -5.00 117.35 119.50 3d33 s TYR 91 Ca -0.05 1.53 -0.00 0.00 0.64 0.00 0.00 57.07 59.19 3d33 s TYR 91 Cb 0.14 0.37 0.03 0.00 0.42 0.00 0.00 41.96 42.92 3d33 s TYR 91 CO 0.90 -0.41 0.04 -2.00 0.64 0.00 0.00 175.55 174.73 3d33 s GLU 92 N 1.59 -0.02 -0.09 4.97 2.12 -1.26 -0.73 118.70 125.28 3d33 s GLU 92 Ca -0.09 0.20 -0.04 0.00 0.36 0.00 0.00 54.97 55.40 3d33 s GLU 92 Cb -0.08 -0.22 0.05 0.00 0.26 0.00 0.00 34.13 34.14 3d33 s GLU 92 CO -0.15 -0.15 0.18 1.21 -0.54 0.00 0.00 175.26 175.82 3d33 s ASN 93 N 0.99 0.34 -0.37 -1.70 2.47 -0.32 -4.99 114.94 111.36 3d33 s ASN 93 Ca -0.08 0.39 -0.20 0.00 0.42 0.00 0.00 52.86 53.40 3d33 s ASN 93 Cb -0.12 0.34 0.00 0.00 -1.45 0.00 0.00 41.25 40.03 3d33 s ASN 93 CO -0.03 -0.21 0.59 -1.81 -3.72 0.00 0.00 177.10 171.92 3d33 s ASP 94 N 1.91 6.36 -0.26 -4.21 1.01 -1.26 -0.94 116.67 119.29 3d33 s ASP 94 Ca -0.02 -0.02 -0.05 0.00 0.71 0.00 0.00 52.55 53.17 3d33 s ASP 94 Cb -0.12 -2.30 0.00 0.00 1.01 0.00 0.00 42.92 41.51 3d33 s ASP 94 CO -0.07 -0.59 0.02 -0.63 0.21 0.00 0.00 175.17 174.12 3d33 s ILE 95 N 2.60 3.66 0.64 0.77 1.01 -1.26 -4.99 121.20 123.63 3d33 s ILE 95 Ca 0.22 -0.64 -0.17 0.00 0.00 0.00 0.00 60.65 60.06 3d33 s ILE 95 Cb -0.15 -2.80 -0.01 0.00 0.01 0.00 0.00 42.46 39.51 3d33 s ILE 95 CO 0.15 0.22 1.19 -2.84 0.00 0.00 0.00 174.94 173.66 3d33 s PRO 96 N 1.48 2.70 0.27 2.79 0.02 -1.26 -4.57 135.00 136.42 3d33 s PRO 96 Ca 0.03 1.74 -0.02 0.00 0.02 0.00 0.00 61.00 62.78 3d33 s PRO 96 Cb -0.16 -1.90 0.59 0.00 0.02 0.00 0.00 34.50 33.04 3d33 s PRO 96 CO -0.00 -1.39 1.65 1.49 -0.33 0.00 0.00 177.00 178.41 3d33 h GLU 97 N 0.41 0.19 0.00 5.54 4.81 -1.91 0.81 114.58 124.43 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 1.29 -0.04 -0.00 0.00 0.63 0.00 0.00 28.75 30.63 3d33 h GLU 97 CO 0.53 0.12 -0.04 -0.39 -0.73 0.00 0.00 179.01 178.51 3d33 h VAL 98 N 0.19 0.79 -0.52 0.32 -1.51 -1.89 -1.62 116.25 112.02 3d33 h VAL 98 Ca 0.49 -0.15 0.00 0.00 -1.23 0.00 0.00 66.70 65.81 3d33 h VAL 98 Cb 0.93 1.09 0.00 0.00 -2.13 0.00 0.00 31.29 31.18 3d33 h VAL 98 CO -0.63 0.04 0.00 0.00 -1.23 0.00 0.00 177.57 175.75 3d33 n GLN 99 N -4.14 2.60 0.00 5.19 6.02 0.24 -4.62 117.38 122.66 3d33 n GLN 99 Ca -0.03 -2.44 0.15 0.00 -0.01 0.00 0.00 57.00 54.67 3d33 n GLN 99 Cb 0.13 -1.54 0.71 0.00 1.02 0.00 0.00 30.24 30.55 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 1.57 0.73 0.22 1.08 3.41 -0.61 -4.05 113.62 115.99 3d33 n SER 100 Ca 0.21 -1.16 0.09 0.00 -0.26 0.00 0.00 58.87 57.76 3d33 n SER 100 Cb 0.62 -0.01 0.50 0.00 -0.26 0.00 0.00 64.21 65.06 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 4.10 1.12 -1.60 7.33 0.00 -1.81 -3.38 119.26 125.01 3d33 h ALA 101 Ca 0.00 -0.22 0.10 0.00 0.00 0.00 0.00 54.91 54.79 3d33 h ALA 101 Cb 0.28 -0.04 -0.24 0.00 0.00 0.00 0.00 17.79 17.79 3d33 h ALA 101 CO 0.00 0.31 0.18 -0.47 0.00 0.00 0.00 179.25 179.27 3d33 s TYR 102 N -3.84 -0.84 -0.06 0.00 5.04 -1.26 -0.79 117.35 115.60 3d33 s TYR 102 Ca -0.01 1.57 -0.03 0.00 -2.44 0.00 0.00 57.07 56.16 3d33 s TYR 102 Cb 0.12 0.50 0.03 0.00 0.35 0.00 0.00 41.96 42.96 3d33 s TYR 102 CO 0.64 -0.41 0.14 0.42 -1.34 0.00 0.00 175.55 175.00 3d33 s ILE 103 N 1.90 -0.03 0.03 3.14 -1.09 -0.70 -5.01 121.20 119.44 3d33 s ILE 103 Ca -0.07 0.12 0.05 0.00 -2.23 0.00 0.00 60.65 58.52 3d33 s ILE 103 Cb -0.06 -0.23 -0.03 0.00 -1.58 0.00 0.00 42.46 40.56 3d33 s ILE 103 CO -0.17 0.05 -0.12 0.42 -1.23 0.00 0.00 174.94 173.88 3d33 s THR 104 N 0.82 3.23 -0.08 2.92 -4.23 -1.26 -0.64 115.64 116.40 3d33 s THR 104 Ca -0.06 -1.00 -0.00 0.00 -1.18 0.00 0.00 61.69 59.44 3d33 s THR 104 Cb -0.08 -2.39 0.02 0.00 1.34 0.00 0.00 72.50 71.39 3d33 s THR 104 CO -0.04 0.35 -0.04 -0.63 -0.54 0.00 0.00 174.62 173.72 3d33 s ILE 105 N -0.98 0.64 -0.14 2.99 1.01 0.31 -4.98 121.20 120.06 3d33 s ILE 105 Ca 0.16 -0.08 -0.29 0.00 0.00 0.00 0.00 60.65 60.44 3d33 s ILE 105 Cb -0.11 -0.72 -0.01 0.00 0.01 0.00 0.00 42.46 41.64 3d33 s ILE 105 CO 0.07 0.29 1.05 -0.55 0.00 0.00 0.00 174.94 175.80 3d33 s SER 106 N 1.60 7.17 0.00 3.58 0.15 -1.26 -0.39 113.70 124.56 3d33 s SER 106 Ca 0.01 1.52 0.21 0.00 0.70 0.00 0.00 55.95 58.38 3d33 s SER 106 Cb -0.13 -2.55 0.54 0.00 -1.71 0.00 0.00 66.02 62.17 3d33 s SER 106 CO -0.05 -0.54 1.46 2.30 1.20 0.00 0.00 173.24 177.61 3d33 n ILE 107 N 4.82 0.90 0.22 6.45 -5.35 -0.12 -4.67 119.36 121.60 3d33 n ILE 107 Ca 0.10 -0.95 0.05 0.00 -0.27 0.00 0.00 62.75 61.68 3d33 n ILE 107 Cb 0.47 0.60 0.47 0.00 -1.74 0.00 0.00 39.64 39.45 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 3.91 1.59 -0.45 -1.28 0.00 -1.90 -2.28 119.26 118.86 3d33 h ALA 108 Ca 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.70 3d33 h ALA 108 Cb 0.94 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.69 3d33 h ALA 108 CO 0.00 0.29 0.00 0.09 0.00 0.00 0.00 179.25 179.63 3d33 n ASN 109 N -4.23 3.48 -4.76 0.00 4.13 -1.26 -4.93 115.26 107.68 3d33 n ASN 109 Ca -0.02 -2.19 -0.39 0.00 1.68 0.00 0.00 54.58 53.66 3d33 n ASN 109 Cb 0.29 -0.36 -0.05 0.00 -1.54 0.00 0.00 39.78 38.12 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 -1.34 3.60 0.64 3.10 0.08 -0.86 -5.03 117.98 118.17 3d33 s PHE 110 Ca 0.34 1.74 -0.18 0.00 0.12 0.00 0.00 56.93 58.95 3d33 s PHE 110 Cb 0.20 -3.15 -0.03 0.00 -0.57 0.00 0.00 43.02 39.47 3d33 s PHE 110 CO 0.19 -0.29 1.06 -2.30 -0.10 0.00 0.00 175.22 173.78 3d33 n PRO 111 N 0.88 0.88 -1.63 0.24 -0.02 -1.26 -4.89 135.00 129.20 3d33 n PRO 111 Ca 0.00 0.35 -0.44 0.00 -2.02 0.00 0.00 63.50 61.40 3d33 n PRO 111 Cb 0.47 -2.28 -0.03 0.00 -0.02 0.00 0.00 33.50 31.63 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 -1.93 1.52 -3.60 3.55 0.00 -1.26 -4.77 120.51 114.01 3d33 n ALA 112 Ca 0.14 0.06 0.01 0.00 0.00 0.00 0.00 53.44 53.65 3d33 n ALA 112 Cb 0.48 -2.73 -0.01 0.00 0.00 0.00 0.00 19.45 17.19 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 5.13 0.02 0.14 0.00 2.56 -0.92 -4.99 118.70 120.63 3d33 s GLU 113 Ca 0.95 -0.01 -0.18 0.00 0.00 0.00 0.00 54.97 55.73 3d33 s GLU 113 Cb -0.46 0.01 -0.07 0.00 2.00 0.00 0.00 34.13 35.60 3d33 s GLU 113 CO 0.42 -0.01 0.61 -2.00 -0.56 0.00 0.00 175.26 173.72 3d33 s GLU 114 N -2.02 4.16 0.03 4.30 2.12 -1.26 -1.08 118.70 124.95 3d33 s GLU 114 Ca 0.13 0.71 0.07 0.00 0.36 0.00 0.00 54.97 56.24 3d33 s GLU 114 Cb 0.03 -3.05 -0.02 0.00 0.26 0.00 0.00 34.13 31.34 3d33 s GLU 114 CO -0.04 0.53 -0.21 0.71 -0.54 0.00 0.00 175.26 175.71 3d33 s TYR 115 N -1.33 1.80 -0.14 5.30 2.02 0.98 -4.59 117.35 121.40 3d33 s TYR 115 Ca 0.35 -0.37 -0.16 0.00 -0.37 0.00 0.00 57.07 56.52 3d33 s TYR 115 Cb -0.18 -1.09 -0.04 0.00 -0.40 0.00 0.00 41.96 40.25 3d33 s TYR 115 CO 0.20 0.07 0.39 0.21 -1.57 0.00 0.00 175.55 174.85 3d33 s LYS 116 N -1.07 4.30 -0.20 -0.62 2.20 0.27 -1.40 119.74 123.22 3d33 s LYS 116 Ca 0.07 0.28 -0.05 0.00 -0.36 0.00 0.00 55.97 55.92 3d33 s LYS 116 Cb -0.09 -3.43 -0.02 0.00 -1.51 0.00 0.00 37.83 32.78 3d33 s LYS 116 CO 0.01 0.20 -0.01 -1.17 -0.36 0.00 0.00 175.35 174.01 3d33 s LEU 117 N 0.55 3.15 -0.05 5.43 2.96 0.16 -1.09 118.68 129.78 3d33 s LEU 117 Ca 0.21 -0.25 0.05 0.00 -0.22 0.00 0.00 54.13 53.92 3d33 s LEU 117 Cb -0.14 -1.80 -0.01 0.00 0.50 0.00 0.00 46.19 44.75 3d33 s LEU 117 CO 0.07 0.04 -0.20 -1.61 -1.32 0.00 0.00 176.35 173.34 3d33 s GLU 118 N 1.11 2.08 -0.16 1.98 2.02 -0.14 -0.58 118.70 125.00 3d33 s GLU 118 Ca 0.02 -0.71 0.01 0.00 0.02 0.00 0.00 54.97 54.31 3d33 s GLU 118 Cb -0.14 -1.77 0.02 0.00 0.10 0.00 0.00 34.13 32.33 3d33 s GLU 118 CO 0.01 0.28 -0.18 0.42 0.02 0.00 0.00 175.26 175.81 3d33 s ILE 119 N 0.00 1.89 0.06 -1.63 1.01 0.16 -1.04 121.20 121.65 3d33 s ILE 119 Ca -0.05 -0.84 0.08 0.00 0.00 0.00 0.00 60.65 59.85 3d33 s ILE 119 Cb -0.13 -1.72 -0.03 0.00 0.01 0.00 0.00 42.46 40.59 3d33 s ILE 119 CO 0.03 0.51 -0.23 0.42 0.00 0.00 0.00 174.94 175.67 3d33 s THR 120 N 1.30 1.91 0.12 2.92 -4.23 0.03 -0.55 115.64 117.13 3d33 s THR 120 Ca 0.03 -1.34 0.05 0.00 -1.18 0.00 0.00 61.69 59.25 3d33 s THR 120 Cb -0.13 -1.65 -0.04 0.00 1.34 0.00 0.00 72.50 72.02 3d33 s THR 120 CO -0.11 0.24 0.04 -0.83 -0.54 0.00 0.00 174.62 173.42 3d33 s GLY 121 N -1.32 1.86 -0.15 3.99 0.00 0.32 -0.58 107.32 111.44 3d33 s GLY 121 Ca 0.10 -1.16 -0.02 0.00 0.00 0.00 0.00 44.72 43.63 3d33 s GLY 121 CO 0.02 -1.15 -0.08 -1.59 0.00 0.00 0.00 173.10 170.30 3d33 s THR 122 N -1.49 3.43 -0.80 0.90 2.01 -0.20 -2.49 115.64 117.01 3d33 s THR 122 Ca 0.28 -0.51 0.27 0.00 0.31 0.00 0.00 61.69 62.03 3d33 s THR 122 Cb -0.11 -2.49 0.27 0.00 0.01 0.00 0.00 72.50 70.19 3d33 s THR 122 CO 0.20 0.50 1.82 -0.81 -0.69 0.00 0.00 174.62 175.63 3d33 n PRO 123 N 3.73 0.19 -4.11 4.92 -0.04 -1.26 -3.91 135.00 134.52 3d33 n PRO 123 Ca -0.18 0.16 -0.11 0.00 -0.04 0.00 0.00 63.50 63.34 3d33 n PRO 123 Cb 0.52 -1.73 -0.08 0.00 -0.04 0.00 0.00 33.50 32.17 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 -4.13 0.09 0.00 3.54 1.04 -1.04 -5.13 113.70 108.07 3d33 s SER 124 Ca 0.11 -1.18 0.00 0.00 0.48 0.00 0.00 55.95 55.37 3d33 s SER 124 Cb 0.14 0.44 0.00 0.00 0.10 0.00 0.00 66.02 66.70 3d33 s SER 124 CO 0.58 -0.92 0.00 0.61 0.98 0.00 0.00 173.24 174.49 3d33 n GLY 125 N -0.28 3.60 3.22 7.32 0.00 -1.26 -3.70 105.19 114.09 3d33 n GLY 125 Ca -0.01 -1.30 -0.00 0.00 0.00 0.00 0.00 46.02 44.71 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 0.00 -1.36 0.00 1.61 2.46 0.12 -0.52 115.29 117.60 3d33 s HIS 126 Ca 0.00 1.67 0.07 0.00 0.47 0.00 0.00 55.06 57.27 3d33 s HIS 126 Cb 0.00 0.50 -0.02 0.00 -0.13 0.00 0.00 32.58 32.93 3d33 s HIS 126 CO 0.00 -0.78 -0.21 -0.51 -2.47 0.00 0.00 174.74 170.77 3d33 s LEU 127 N 2.80 2.08 -0.01 8.88 1.43 0.29 -1.95 118.68 132.20 3d33 s LEU 127 Ca 0.13 -0.43 0.03 0.00 -1.03 0.00 0.00 54.13 52.82 3d33 s LEU 127 Cb -0.14 -1.05 -0.00 0.00 0.03 0.00 0.00 46.19 45.02 3d33 s LEU 127 CO -0.19 0.23 -0.09 -0.89 0.23 0.00 0.00 176.35 175.64 3d33 s THR 128 N -0.60 0.71 0.28 5.49 2.01 0.07 -0.67 115.64 122.94 3d33 s THR 128 Ca 0.08 -0.37 -0.01 0.00 0.31 0.00 0.00 61.69 61.70 3d33 s THR 128 Cb -0.08 -0.61 -0.02 0.00 0.01 0.00 0.00 72.50 71.80 3d33 s THR 128 CO 0.00 0.21 0.31 -0.83 -0.69 0.00 0.00 174.62 173.62 3d33 s GLY 129 N -0.13 1.58 0.01 4.40 0.00 0.25 -1.10 107.32 112.34 3d33 s GLY 129 Ca 0.02 -1.65 0.02 0.00 0.00 0.00 0.00 44.72 43.11 3d33 s GLY 129 CO -0.00 -1.21 -0.06 -0.19 0.00 0.00 0.00 173.10 171.64 3d33 s TYR 130 N -3.65 0.50 0.07 1.90 1.51 -1.26 0.36 117.35 116.78 3d33 s TYR 130 Ca 0.35 -0.26 -0.11 0.00 -1.01 0.00 0.00 57.07 56.04 3d33 s TYR 130 Cb 0.03 -0.31 0.01 0.00 -0.11 0.00 0.00 41.96 41.57 3d33 s TYR 130 CO 0.18 -0.05 0.24 -0.59 -1.11 0.00 0.00 175.55 174.22 3d33 s PHE 131 N -0.66 0.04 -0.15 2.71 -0.12 -0.49 -4.77 117.98 114.54 3d33 s PHE 131 Ca -0.04 -0.35 0.00 0.00 -0.05 0.00 0.00 56.93 56.50 3d33 s PHE 131 Cb -0.05 0.01 -0.00 0.00 -0.63 0.00 0.00 43.02 42.35 3d33 s PHE 131 CO 0.00 -0.53 -0.16 0.99 -0.05 0.00 0.00 175.22 175.48 3d33 s THR 132 N -3.30 2.66 -0.18 -4.49 2.01 -1.26 -0.02 115.64 111.06 3d33 s THR 132 Ca 0.00 -0.78 -0.24 0.00 0.31 0.00 0.00 61.69 60.99 3d33 s THR 132 Cb 0.02 -2.12 -0.02 0.00 0.01 0.00 0.00 72.50 70.40 3d33 s THR 132 CO -0.08 0.52 0.75 -0.75 -0.69 0.00 0.00 174.62 174.37 3d33 s LYS 133 N 0.76 4.26 0.00 4.92 2.47 -0.24 -4.98 119.74 126.92 3d33 s LYS 133 Ca -0.06 0.86 0.21 0.00 -1.56 0.00 0.00 55.97 55.42 3d33 s LYS 133 Cb -0.15 -3.58 0.17 0.00 -1.46 0.00 0.00 37.83 32.80 3d33 s LYS 133 CO 0.01 -0.30 1.16 -0.85 0.16 0.00 0.00 175.35 175.53