#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gxz n GLY 2 N 0.00 1.57 3.38 -0.72 0.00 -1.26 -4.88 105.19 103.29 3gxz n GLY 2 Ca 0.00 0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.15 3gxz n GLY 2 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3gxz n LYS 3 N 0.77 -0.14 -0.37 1.61 5.02 -1.26 -4.78 118.16 119.01 3gxz n LYS 3 Ca 0.00 0.03 0.29 0.00 -2.02 0.00 0.00 58.31 56.61 3gxz n LYS 3 Cb 0.00 -3.57 0.46 0.00 -0.02 0.00 0.00 35.03 31.90 3gxz n LYS 3 CO 0.00 0.00 0.00 1.97 -0.52 0.00 0.00 177.40 178.85 3gxz n PHE 4 N -1.17 0.16 -0.24 2.13 -1.74 -1.26 -1.60 117.46 113.74 3gxz n PHE 4 Ca 0.00 0.16 -0.03 0.00 -0.56 0.00 0.00 57.45 57.02 3gxz n PHE 4 Cb 0.03 -0.49 0.14 0.00 1.52 0.00 0.00 39.48 40.67 3gxz n PHE 4 CO 0.00 0.00 0.00 0.66 -0.56 0.00 0.00 176.76 176.86 3gxz h SER 5 N 0.00 0.97 -0.98 5.98 4.64 -1.90 -2.63 113.55 119.64 3gxz h SER 5 Ca 0.55 -0.12 0.18 0.00 -0.47 0.00 0.00 61.79 61.92 3gxz h SER 5 Cb 2.06 -0.25 -0.09 0.00 -0.31 0.00 0.00 62.40 63.80 3gxz h SER 5 CO -0.11 0.84 0.61 1.56 -0.87 0.00 0.00 176.83 178.86 3gxz h GLN 6 N 1.06 0.71 -0.71 4.77 4.20 -1.70 -1.19 115.11 122.24 3gxz h GLN 6 Ca 0.25 -0.04 -0.46 0.00 0.06 0.00 0.00 58.65 58.46 3gxz h GLN 6 Cb 0.15 -0.16 -0.27 0.00 0.30 0.00 0.00 27.48 27.49 3gxz h GLN 6 CO -0.03 0.47 0.04 0.25 -0.67 0.00 0.00 178.83 178.89 3gxz n THR 7 N -4.67 2.91 -4.08 -0.54 -2.24 -1.00 -5.00 114.28 99.67 3gxz n THR 7 Ca 0.21 -3.16 -0.07 0.00 -2.27 0.00 0.00 64.05 58.76 3gxz n THR 7 Cb 0.55 -0.81 -0.10 0.00 -2.10 0.00 0.00 70.33 67.87 3gxz n THR 7 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3gxz s TYR 9 N -3.75 0.05 -1.02 0.00 2.02 0.14 -4.89 117.35 109.90 3gxz s TYR 9 Ca 0.05 -0.26 -0.00 0.00 -0.37 0.00 0.00 57.07 56.49 3gxz s TYR 9 Cb 0.07 -0.03 0.00 0.00 -0.40 0.00 0.00 41.96 41.60 3gxz s TYR 9 CO -0.09 -0.42 0.85 0.09 -1.57 0.00 0.00 175.55 174.41 3gxz n ASN 10 N 0.76 -2.07 -4.83 2.29 4.13 -1.26 -2.10 115.26 112.18 3gxz n ASN 10 Ca -0.19 -0.53 -0.36 0.00 1.68 0.00 0.00 54.58 55.18 3gxz n ASN 10 Cb 0.59 -4.44 -0.06 0.00 -1.54 0.00 0.00 39.78 34.33 3gxz n ASN 10 CO 0.00 0.00 0.00 -0.44 0.28 0.00 0.00 177.26 177.10 3gxz s SER 11 N -4.15 6.93 0.05 6.41 0.01 -1.26 -4.29 113.70 117.40 3gxz s SER 11 Ca 0.00 1.20 0.02 0.00 1.31 0.00 0.00 55.95 58.49 3gxz s SER 11 Cb -0.00 -2.34 -0.03 0.00 0.21 0.00 0.00 66.02 63.87 3gxz s SER 11 CO 0.62 0.11 -0.08 0.00 0.41 0.00 0.00 173.24 174.30 3gxz s ALA 12 N -1.43 0.65 -0.05 1.44 0.00 0.12 -4.98 121.76 117.51 3gxz s ALA 12 Ca 0.38 -0.82 0.03 0.00 0.00 0.00 0.00 51.96 51.55 3gxz s ALA 12 Cb -0.16 0.04 -0.03 0.00 0.00 0.00 0.00 23.12 22.97 3gxz s ALA 12 CO 0.20 -0.02 -0.13 0.42 0.00 0.00 0.00 175.76 176.23 3gxz s ILE 13 N -1.52 3.16 -0.18 0.00 1.01 -1.26 0.37 121.20 122.79 3gxz s ILE 13 Ca -0.08 -0.68 -0.07 0.00 0.00 0.00 0.00 60.65 59.82 3gxz s ILE 13 Cb -0.09 -2.25 0.08 0.00 0.01 0.00 0.00 42.46 40.21 3gxz s ILE 13 CO 0.00 0.59 0.38 -1.58 0.00 0.00 0.00 174.94 174.33 3gxz s GLN 14 N -0.73 0.29 6.93 2.79 0.74 -0.30 -4.98 119.66 124.40 3gxz s GLN 14 Ca 0.11 0.93 0.00 0.00 0.05 0.00 0.00 55.36 56.45 3gxz s GLN 14 Cb -0.11 0.19 0.00 0.00 1.10 0.00 0.00 33.01 34.19 3gxz s GLN 14 CO 0.01 -0.24 0.00 0.41 -0.55 0.00 0.00 175.29 174.91 3gxz n GLY 15 N 5.18 2.64 0.33 2.59 0.00 -1.26 -1.69 105.19 112.99 3gxz n GLY 15 Ca -0.11 0.20 0.03 0.00 0.00 0.00 0.00 46.02 46.15 3gxz n GLY 15 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3gxz n SER 16 N 10.46 2.07 -4.65 1.61 3.41 -1.26 -5.00 113.62 120.26 3gxz n SER 16 Ca 0.00 -1.64 -0.39 0.00 -0.26 0.00 0.00 58.87 56.58 3gxz n SER 16 Cb 0.00 -0.07 -0.08 0.00 -0.26 0.00 0.00 64.21 63.80 3gxz n SER 16 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3gxz s VAL 17 N -0.78 5.15 -0.10 -3.33 1.01 -0.68 0.66 120.40 122.33 3gxz s VAL 17 Ca 0.11 0.78 -0.18 0.00 0.00 0.00 0.00 61.98 62.69 3gxz s VAL 17 Cb 0.06 -3.77 -0.04 0.00 0.00 0.00 0.00 36.38 32.63 3gxz s VAL 17 CO 0.09 0.19 0.48 -0.22 0.00 0.00 0.00 175.10 175.65 3gxz s LEU 18 N 1.67 4.30 0.05 3.92 2.96 -0.02 -1.15 118.68 130.40 3gxz s LEU 18 Ca 0.20 0.86 0.07 0.00 -0.22 0.00 0.00 54.13 55.04 3gxz s LEU 18 Cb -0.15 -2.71 -0.03 0.00 0.50 0.00 0.00 46.19 43.80 3gxz s LEU 18 CO 0.09 0.03 -0.21 -0.89 -1.32 0.00 0.00 176.35 174.05 3gxz s THR 19 N 0.44 1.70 0.22 3.68 2.01 0.16 -0.27 115.64 123.59 3gxz s THR 19 Ca 0.26 -1.24 -0.18 0.00 0.31 0.00 0.00 61.69 60.85 3gxz s THR 19 Cb -0.15 -1.48 0.02 0.00 0.01 0.00 0.00 72.50 70.90 3gxz s THR 19 CO 0.11 0.19 0.56 -0.55 -0.69 0.00 0.00 174.62 174.25 3gxz s SER 20 N -1.24 -0.24 -0.11 3.53 0.15 -0.58 0.12 113.70 115.33 3gxz s SER 20 Ca 0.08 -0.58 0.03 0.00 0.70 0.00 0.00 55.95 56.18 3gxz s SER 20 Cb -0.09 0.62 0.00 0.00 -1.71 0.00 0.00 66.02 64.84 3gxz s SER 20 CO 0.02 -1.14 -0.23 -0.89 1.20 0.00 0.00 173.24 172.20 3gxz s THR 21 N -3.91 2.05 0.02 6.45 2.01 -0.89 -1.71 115.64 119.66 3gxz s THR 21 Ca 0.12 -1.00 0.03 0.00 0.31 0.00 0.00 61.69 61.15 3gxz s THR 21 Cb -0.02 -1.79 -0.02 0.00 0.01 0.00 0.00 72.50 70.69 3gxz s THR 21 CO 0.01 0.55 -0.10 0.00 -0.69 0.00 0.00 174.62 174.40 3gxz s GLU 23 N -0.84 4.19 0.82 0.00 2.02 -0.87 -0.92 118.70 123.10 3gxz s GLU 23 Ca -0.01 2.31 -0.14 0.00 0.02 0.00 0.00 54.97 57.16 3gxz s GLU 23 Cb -0.06 -3.69 0.06 0.00 0.10 0.00 0.00 34.13 30.54 3gxz s GLU 23 CO 0.00 -0.76 0.99 0.54 0.02 0.00 0.00 175.26 176.06 3gxz n ARG 24 N 5.92 0.11 0.12 1.61 5.12 0.17 -4.89 116.66 124.83 3gxz n ARG 24 Ca 0.16 0.11 -0.14 0.00 -1.93 0.00 0.00 57.85 56.05 3gxz n ARG 24 Cb 0.41 -2.26 -0.07 0.00 -1.16 0.00 0.00 32.46 29.38 3gxz n ARG 24 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3gxz h THR 25 N -0.95 0.24 -3.29 0.55 1.03 -1.93 -3.37 112.91 105.19 3gxz h THR 25 Ca -0.46 0.00 -0.66 0.00 -0.01 0.00 0.00 66.41 65.28 3gxz h THR 25 Cb 1.30 0.24 -0.31 0.00 -1.07 0.00 0.00 68.15 68.31 3gxz h THR 25 CO 0.44 0.00 -0.78 0.20 -0.01 0.00 0.00 175.52 175.37 3gxz s ASN 26 N -4.73 3.85 0.15 0.00 0.01 -1.26 -5.02 114.94 107.94 3gxz s ASN 26 Ca -0.16 -0.56 0.00 0.00 -0.71 0.00 0.00 52.86 51.43 3gxz s ASN 26 Cb 0.08 -1.63 0.00 0.00 0.41 0.00 0.00 41.25 40.11 3gxz s ASN 26 CO 0.64 -0.03 0.00 0.61 -1.51 0.00 0.00 177.10 176.81 3gxz n GLY 27 N 4.71 1.07 0.25 0.66 0.00 -1.26 -5.04 105.19 105.58 3gxz n GLY 27 Ca -0.19 -1.09 -0.02 0.00 0.00 0.00 0.00 46.02 44.73 3gxz n GLY 27 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gxz n GLY 28 N 0.00 -2.32 2.83 -0.02 0.00 -1.26 -4.44 105.19 99.98 3gxz n GLY 28 Ca 0.00 -0.76 -0.22 0.00 0.00 0.00 0.00 46.02 45.04 3gxz n GLY 28 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3gxz s TYR 29 N -0.74 0.77 -0.03 1.61 1.51 -1.26 -0.65 117.35 118.56 3gxz s TYR 29 Ca 0.04 -0.24 0.02 0.00 -1.01 0.00 0.00 57.07 55.88 3gxz s TYR 29 Cb -0.01 -0.78 -0.03 0.00 -0.11 0.00 0.00 41.96 41.03 3gxz s TYR 29 CO 0.03 -0.29 -0.07 1.21 -1.11 0.00 0.00 175.55 175.32 3gxz s ASN 30 N 1.50 4.63 -0.15 2.29 2.47 -0.10 -4.87 114.94 120.71 3gxz s ASN 30 Ca -0.02 -0.08 -0.06 0.00 0.42 0.00 0.00 52.86 53.12 3gxz s ASN 30 Cb -0.13 -1.12 -0.04 0.00 -1.45 0.00 0.00 41.25 38.51 3gxz s ASN 30 CO -0.03 0.33 0.06 -0.89 -3.72 0.00 0.00 177.10 172.84 3gxz s THR 31 N -0.90 4.75 0.15 -5.21 2.01 -1.26 0.66 115.64 115.83 3gxz s THR 31 Ca 0.15 -0.06 -0.16 0.00 0.31 0.00 0.00 61.69 61.92 3gxz s THR 31 Cb -0.11 -3.10 0.03 0.00 0.01 0.00 0.00 72.50 69.34 3gxz s THR 31 CO 0.04 0.52 0.43 -0.94 -0.69 0.00 0.00 174.62 173.98 3gxz s SER 32 N -0.11 -0.25 0.11 3.53 1.04 -0.69 -5.01 113.70 112.33 3gxz s SER 32 Ca 0.07 -0.36 -0.01 0.00 0.48 0.00 0.00 55.95 56.12 3gxz s SER 32 Cb -0.12 0.50 -0.04 0.00 0.10 0.00 0.00 66.02 66.46 3gxz s SER 32 CO 0.01 -0.91 0.02 -0.94 0.98 0.00 0.00 173.24 172.41 3gxz s SER 33 N -2.83 0.45 -0.01 7.02 1.04 -1.26 -1.53 113.70 116.58 3gxz s SER 33 Ca 0.05 -1.14 0.01 0.00 0.48 0.00 0.00 55.95 55.34 3gxz s SER 33 Cb 0.01 0.25 0.01 0.00 0.10 0.00 0.00 66.02 66.39 3gxz s SER 33 CO -0.09 -0.67 -0.01 -0.51 0.98 0.00 0.00 173.24 172.93 3gxz s ILE 34 N -3.97 0.19 -0.37 -1.02 2.07 0.63 -4.98 121.20 113.75 3gxz s ILE 34 Ca 0.19 -0.03 -0.27 0.00 -1.41 0.00 0.00 60.65 59.13 3gxz s ILE 34 Cb 0.07 -0.21 0.02 0.00 0.13 0.00 0.00 42.46 42.47 3gxz s ILE 34 CO -0.02 0.09 0.98 -0.62 -1.91 0.00 0.00 174.94 173.47 3gxz s ASP 35 N 0.38 6.72 0.10 4.50 -1.08 -1.26 -0.84 116.67 125.19 3gxz s ASP 35 Ca -0.04 0.65 0.14 0.00 -0.52 0.00 0.00 52.55 52.78 3gxz s ASP 35 Cb -0.06 -2.49 0.63 0.00 -1.46 0.00 0.00 42.92 39.54 3gxz s ASP 35 CO -0.01 -0.91 1.44 0.18 0.52 0.00 0.00 175.17 176.38 3gxz n LEU 36 N 6.93 0.23 -0.36 -1.34 4.77 0.21 -3.49 117.00 123.95 3gxz n LEU 36 Ca 0.09 0.57 0.35 0.00 -0.03 0.00 0.00 56.01 56.99 3gxz n LEU 36 Cb 0.48 -0.56 0.71 0.00 -2.33 0.00 0.00 43.42 41.72 3gxz n LEU 36 CO 0.60 -0.48 1.32 -0.55 -1.33 0.00 0.00 177.39 176.95 3gxz h ASN 37 N 0.00 0.09 -0.14 -1.43 -1.07 -1.91 -0.68 115.58 110.44 3gxz h ASN 37 Ca 0.00 0.02 0.00 0.00 0.07 0.00 0.00 56.30 56.39 3gxz h ASN 37 Cb 0.18 0.01 0.00 0.00 -2.07 0.00 0.00 38.32 36.44 3gxz h ASN 37 CO 0.00 0.00 0.00 -1.54 0.07 0.00 0.00 177.43 175.96 3gxz n SER 38 N -4.26 2.26 -0.00 6.14 3.41 -1.23 -4.39 113.62 115.56 3gxz n SER 38 Ca 0.28 -1.84 0.03 0.00 -0.26 0.00 0.00 58.87 57.08 3gxz n SER 38 Cb 1.27 -0.09 -0.04 0.00 -0.26 0.00 0.00 64.21 65.09 3gxz n SER 38 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 3gxz n VAL 39 N 0.08 0.00 -4.76 -3.33 0.24 -0.30 -4.90 118.33 105.36 3gxz n VAL 39 Ca 0.05 -0.27 -0.32 0.00 -2.04 0.00 0.00 64.34 61.77 3gxz n VAL 39 Cb 0.30 0.73 -0.13 0.00 -1.47 0.00 0.00 33.84 33.27 3gxz n VAL 39 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 3gxz s ILE 40 N -1.91 2.97 0.02 1.34 -1.09 -0.95 -0.31 121.20 121.27 3gxz s ILE 40 Ca 0.00 -0.95 0.02 0.00 -2.23 0.00 0.00 60.65 57.49 3gxz s ILE 40 Cb 0.04 -2.21 -0.02 0.00 -1.58 0.00 0.00 42.46 38.69 3gxz s ILE 40 CO 0.24 0.46 -0.07 -0.70 -1.23 0.00 0.00 174.94 173.63 3gxz s GLU 41 N -1.12 0.51 -0.19 2.79 2.12 0.62 -4.82 118.70 118.61 3gxz s GLU 41 Ca 0.14 -0.51 -0.14 0.00 0.36 0.00 0.00 54.97 54.81 3gxz s GLU 41 Cb -0.11 -0.38 -0.04 0.00 0.26 0.00 0.00 34.13 33.86 3gxz s GLU 41 CO 0.03 0.09 0.32 1.21 -0.54 0.00 0.00 175.26 176.37 3gxz s ASN 42 N -0.93 6.38 -0.28 -1.70 3.04 -1.26 0.16 114.94 120.35 3gxz s ASN 42 Ca -0.04 0.44 0.02 0.00 0.04 0.00 0.00 52.86 53.32 3gxz s ASN 42 Cb -0.06 -2.19 0.08 0.00 -1.54 0.00 0.00 41.25 37.54 3gxz s ASN 42 CO 0.00 0.02 0.01 -0.69 -3.04 0.00 0.00 177.10 173.40 3gxz s VAL 43 N 0.93 1.65 -1.49 -5.21 1.01 0.65 -4.75 120.40 113.19 3gxz s VAL 43 Ca 0.16 -1.62 -0.13 0.00 0.00 0.00 0.00 61.98 60.39 3gxz s VAL 43 Cb -0.14 -2.06 0.09 0.00 0.00 0.00 0.00 36.38 34.27 3gxz s VAL 43 CO 0.06 -0.37 0.76 -0.67 0.00 0.00 0.00 175.10 174.88 3gxz n ASP 44 N 4.57 -4.21 0.00 3.32 2.03 -1.26 -1.65 116.55 119.34 3gxz n ASP 44 Ca -0.05 -0.68 0.00 0.00 0.52 0.00 0.00 54.79 54.58 3gxz n ASP 44 Cb 0.43 -3.42 0.00 0.00 -0.72 0.00 0.00 41.12 37.41 3gxz n ASP 44 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3gxz n GLY 45 N -1.44 0.54 3.40 0.27 0.00 -1.26 -5.07 105.19 101.62 3gxz n GLY 45 Ca 0.03 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.73 3gxz n GLY 45 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3gxz s SER 46 N -2.97 3.55 -0.09 1.61 0.01 -0.66 -5.09 113.70 110.06 3gxz s SER 46 Ca 0.00 -0.33 -0.30 0.00 1.31 0.00 0.00 55.95 56.63 3gxz s SER 46 Cb 0.00 -0.60 -0.02 0.00 0.21 0.00 0.00 66.02 65.61 3gxz s SER 46 CO 0.00 0.33 1.15 -0.76 0.41 0.00 0.00 173.24 174.37 3gxz s LEU 47 N -0.70 4.25 0.02 2.44 1.43 -1.26 -0.26 118.68 124.60 3gxz s LEU 47 Ca 0.11 1.71 0.07 0.00 -1.03 0.00 0.00 54.13 54.99 3gxz s LEU 47 Cb -0.10 -3.55 -0.02 0.00 0.03 0.00 0.00 46.19 42.54 3gxz s LEU 47 CO -0.00 -0.57 -0.21 -0.54 0.23 0.00 0.00 176.35 175.25 3gxz s LYS 48 N 2.35 1.54 0.01 1.70 -0.14 0.43 -4.94 119.74 120.70 3gxz s LYS 48 Ca 0.53 -0.87 -0.30 0.00 -1.36 0.00 0.00 55.97 53.98 3gxz s LYS 48 Cb -0.22 -1.58 -0.07 0.00 -1.68 0.00 0.00 37.83 34.27 3gxz s LYS 48 CO 0.19 0.42 1.68 -1.58 -0.76 0.00 0.00 175.35 175.30 3gxz s TRP 49 N -0.67 2.13 -0.18 3.18 0.52 -1.26 -0.28 118.94 122.38 3gxz s TRP 49 Ca 0.08 0.20 -0.21 0.00 0.02 0.00 0.00 56.10 56.19 3gxz s TRP 49 Cb -0.09 -3.97 -0.03 0.00 -1.15 0.00 0.00 33.47 28.24 3gxz s TRP 49 CO 0.01 -4.00 0.62 -1.14 0.02 0.00 0.00 176.95 172.45 3gxz s GLN 50 N 3.39 4.23 0.25 4.98 0.74 0.58 -4.86 119.66 128.98 3gxz s GLN 50 Ca 0.75 0.61 -0.09 0.00 0.05 0.00 0.00 55.36 56.67 3gxz s GLN 50 Cb -0.37 -3.56 -0.07 0.00 1.10 0.00 0.00 33.01 30.11 3gxz s GLN 50 CO 0.32 -0.18 0.57 -1.25 -0.55 0.00 0.00 175.29 174.20 3gxz s PRO 51 N 1.72 3.79 -0.01 1.67 0.04 -1.26 -4.84 135.00 136.12 3gxz s PRO 51 Ca 0.29 0.28 -0.07 0.00 0.04 0.00 0.00 61.00 61.53 3gxz s PRO 51 Cb -0.16 -2.62 0.01 0.00 0.04 0.00 0.00 34.50 31.76 3gxz s PRO 51 CO 0.11 0.28 0.15 0.45 0.04 0.00 0.00 177.00 178.03 3gxz s SER 52 N -2.47 -0.02 0.00 6.66 0.15 -1.26 -5.05 113.70 111.71 3gxz s SER 52 Ca 0.48 -0.09 0.22 0.00 0.70 0.00 0.00 55.95 57.26 3gxz s SER 52 Cb -0.11 0.24 0.25 0.00 -1.71 0.00 0.00 66.02 64.70 3gxz s SER 52 CO 0.22 -0.31 1.25 -0.46 1.20 0.00 0.00 173.24 175.14 3gxz n ASN 53 N 1.74 3.00 -0.04 5.45 6.94 -1.26 -4.71 115.26 126.37 3gxz n ASN 53 Ca -0.21 -1.92 -0.03 0.00 -0.02 0.00 0.00 54.58 52.40 3gxz n ASN 53 Cb 0.56 -0.09 -0.02 0.00 -2.36 0.00 0.00 39.78 37.87 3gxz n ASN 53 CO 0.00 0.00 0.00 0.15 -1.03 0.00 0.00 177.26 176.38 3gxz h PHE 54 N 4.20 -0.37 -0.35 -2.53 3.57 -1.96 0.24 116.94 119.73 3gxz h PHE 54 Ca 0.00 0.02 0.06 0.00 3.53 0.00 0.00 57.97 61.58 3gxz h PHE 54 Cb 0.91 0.18 -0.06 0.00 2.79 0.00 0.00 35.95 39.78 3gxz h PHE 54 CO 0.09 -0.10 0.01 0.82 -2.23 0.00 0.00 178.31 176.90 3gxz h ILE 55 N -0.06 0.75 -0.11 1.41 2.04 -1.86 0.11 117.51 119.79 3gxz h ILE 55 Ca 0.02 -0.04 -0.02 0.00 1.00 0.00 0.00 64.86 65.82 3gxz h ILE 55 Cb 0.12 0.63 -0.01 0.00 -0.74 0.00 0.00 36.82 36.82 3gxz h ILE 55 CO -0.14 0.02 -0.03 -0.08 0.00 0.00 0.00 178.15 177.92 3gxz h GLU 56 N 0.11 0.16 -0.00 2.37 4.81 -1.72 -3.25 114.58 117.06 3gxz h GLU 56 Ca 0.17 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.38 3gxz h GLU 56 Cb 0.23 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.58 3gxz h GLU 56 CO -0.28 0.21 -0.01 0.25 -0.73 0.00 0.00 179.01 178.45 3gxz n THR 57 N -4.40 0.00 -4.55 0.32 -2.24 0.78 -5.04 114.28 99.15 3gxz n THR 57 Ca -0.01 -0.49 -0.26 0.00 -2.27 0.00 0.00 64.05 61.01 3gxz n THR 57 Cb 0.17 1.03 -0.10 0.00 -2.10 0.00 0.00 70.33 69.32 3gxz n THR 57 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3gxz s ARG 59 N -3.63 1.39 -1.22 0.00 1.04 0.19 -4.77 118.95 111.95 3gxz s ARG 59 Ca 0.33 -0.64 -0.00 0.00 -1.04 0.00 0.00 55.73 54.37 3gxz s ARG 59 Cb 0.04 0.58 0.00 0.00 -2.04 0.00 0.00 34.95 33.53 3gxz s ARG 59 CO 0.17 -0.61 0.96 0.09 -0.04 0.00 0.00 175.30 175.86 3gxz n ASN 60 N -0.38 -2.06 -4.77 -2.89 3.02 -1.26 -0.81 115.26 106.10 3gxz n ASN 60 Ca -0.13 -0.65 -0.38 0.00 -0.03 0.00 0.00 54.58 53.39 3gxz n ASN 60 Cb 0.63 -4.95 -0.02 0.00 -0.61 0.00 0.00 39.78 34.83 3gxz n ASN 60 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 3gxz s THR 61 N -3.41 3.28 -0.21 3.41 -4.23 -1.26 -4.37 115.64 108.85 3gxz s THR 61 Ca 0.02 1.04 -0.27 0.00 -1.18 0.00 0.00 61.69 61.30 3gxz s THR 61 Cb -0.01 -3.56 0.08 0.00 1.34 0.00 0.00 72.50 70.35 3gxz s THR 61 CO 0.74 0.06 0.79 0.00 -0.54 0.00 0.00 174.62 175.67 3gxz s GLN 62 N -2.38 0.81 -0.33 3.99 -2.07 -0.03 -4.97 119.66 114.68 3gxz s GLN 62 Ca 0.58 0.69 -0.25 0.00 -1.82 0.00 0.00 55.36 54.56 3gxz s GLN 62 Cb -0.28 0.39 0.01 0.00 -1.09 0.00 0.00 33.01 32.04 3gxz s GLN 62 CO 0.36 -0.15 0.88 -1.17 -1.32 0.00 0.00 175.29 173.88 3gxz s LEU 63 N -0.12 4.04 -0.08 2.60 2.96 -1.26 -0.32 118.68 126.50 3gxz s LEU 63 Ca -0.02 0.70 -0.04 0.00 -0.22 0.00 0.00 54.13 54.55 3gxz s LEU 63 Cb -0.03 -3.21 -0.04 0.00 0.50 0.00 0.00 46.19 43.41 3gxz s LEU 63 CO 0.02 -0.73 0.08 0.00 -1.32 0.00 0.00 176.35 174.39 3gxz s ALA 64 N 3.23 3.61 0.00 5.97 0.00 0.57 -4.93 121.76 130.21 3gxz s ALA 64 Ca 0.36 -0.75 0.00 0.00 0.00 0.00 0.00 51.96 51.57 3gxz s ALA 64 Cb -0.13 -1.71 0.00 0.00 0.00 0.00 0.00 23.12 21.27 3gxz s ALA 64 CO 0.15 0.63 0.00 0.41 0.00 0.00 0.00 175.76 176.94 3gxz n GLY 65 N 1.86 1.59 0.09 0.00 0.00 -1.26 -2.54 105.19 104.92 3gxz n GLY 65 Ca -0.18 -0.52 -0.01 0.00 0.00 0.00 0.00 46.02 45.31 3gxz n GLY 65 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3gxz n SER 66 N -1.92 0.72 0.00 1.61 3.41 -1.26 -4.75 113.62 111.43 3gxz n SER 66 Ca 0.00 0.32 0.00 0.00 -0.26 0.00 0.00 58.87 58.93 3gxz n SER 66 Cb 0.00 0.33 0.00 0.00 -0.26 0.00 0.00 64.21 64.28 3gxz n SER 66 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3gxz n SER 67 N -2.85 3.07 -4.73 4.04 3.41 -1.24 -5.04 113.62 110.29 3gxz n SER 67 Ca -0.12 0.00 -0.42 0.00 -0.26 0.00 0.00 58.87 58.07 3gxz n SER 67 Cb 0.87 0.42 -0.03 0.00 -0.26 0.00 0.00 64.21 65.22 3gxz n SER 67 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 3gxz s GLU 68 N -1.47 4.20 -0.16 4.33 2.02 -1.05 -1.84 118.70 124.73 3gxz s GLU 68 Ca 0.00 2.41 -0.07 0.00 0.02 0.00 0.00 54.97 57.32 3gxz s GLU 68 Cb 0.00 -3.11 -0.04 0.00 0.10 0.00 0.00 34.13 31.08 3gxz s GLU 68 CO 0.00 -0.57 0.10 -1.17 0.02 0.00 0.00 175.26 173.64 3gxz s LEU 69 N 0.40 4.07 0.07 1.80 2.96 -0.30 -0.31 118.68 127.37 3gxz s LEU 69 Ca 0.66 0.24 0.10 0.00 -0.22 0.00 0.00 54.13 54.91 3gxz s LEU 69 Cb -0.44 -2.02 -0.03 0.00 0.50 0.00 0.00 46.19 44.20 3gxz s LEU 69 CO 0.38 0.26 -0.26 0.00 -1.32 0.00 0.00 176.35 175.41 3gxz s ALA 70 N -0.16 2.24 0.39 5.97 0.00 0.57 -1.56 121.76 129.21 3gxz s ALA 70 Ca 0.09 -1.31 -0.12 0.00 0.00 0.00 0.00 51.96 50.61 3gxz s ALA 70 Cb -0.12 -0.43 0.05 0.00 0.00 0.00 0.00 23.12 22.62 3gxz s ALA 70 CO 0.01 0.52 0.74 0.00 0.00 0.00 0.00 175.76 177.03 3gxz s ALA 71 N -0.89 -0.39 -0.03 0.00 0.00 -0.54 -0.85 121.76 119.06 3gxz s ALA 71 Ca 0.12 -0.95 0.06 0.00 0.00 0.00 0.00 51.96 51.19 3gxz s ALA 71 Cb -0.10 0.75 -0.02 0.00 0.00 0.00 0.00 23.12 23.75 3gxz s ALA 71 CO 0.03 -0.94 -0.22 -1.21 0.00 0.00 0.00 175.76 173.42 3gxz s GLU 72 N -2.30 2.28 -0.01 0.00 2.02 0.01 -1.65 118.70 119.05 3gxz s GLU 72 Ca 0.19 -0.84 0.02 0.00 0.02 0.00 0.00 54.97 54.35 3gxz s GLU 72 Cb -0.04 -2.17 0.00 0.00 0.10 0.00 0.00 34.13 32.02 3gxz s GLU 72 CO 0.14 0.57 -0.06 0.00 0.02 0.00 0.00 175.26 175.93 3gxz n LYS 74 N 3.23 2.70 -1.56 0.00 5.02 -0.47 -0.97 118.16 126.11 3gxz n LYS 74 Ca -0.17 0.99 -0.31 0.00 -2.02 0.00 0.00 58.31 56.80 3gxz n LYS 74 Cb 0.56 -2.90 0.05 0.00 -0.02 0.00 0.00 35.03 32.72 3gxz n LYS 74 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 3gxz s THR 75 N 3.89 3.95 0.58 -0.18 -4.23 0.33 -4.83 115.64 115.15 3gxz s THR 75 Ca 0.88 0.65 0.31 0.00 -1.18 0.00 0.00 61.69 62.34 3gxz s THR 75 Cb -0.50 -3.35 0.43 0.00 1.34 0.00 0.00 72.50 70.41 3gxz s THR 75 CO 0.43 -0.82 1.74 0.03 -0.54 0.00 0.00 174.62 175.46 3gxz h ARG 76 N -0.71 0.00 -0.89 3.99 3.08 -1.95 1.78 114.38 119.69 3gxz h ARG 76 Ca -0.44 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.61 3gxz h ARG 76 Cb 1.21 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.26 3gxz h ARG 76 CO 0.56 0.00 0.00 0.00 -1.07 0.00 0.00 179.97 179.46 3gxz n ALA 77 N -2.43 2.76 -1.73 0.04 0.00 -1.26 -4.86 120.51 113.04 3gxz n ALA 77 Ca 0.16 -0.37 -0.20 0.00 0.00 0.00 0.00 53.44 53.03 3gxz n ALA 77 Cb 1.02 -1.02 -0.07 0.00 0.00 0.00 0.00 19.45 19.37 3gxz n ALA 77 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3gxz n GLN 78 N 0.12 -1.45 -3.91 0.00 1.13 0.61 -4.98 117.38 108.89 3gxz n GLN 78 Ca 0.05 1.18 -0.36 0.00 -1.94 0.00 0.00 57.00 55.93 3gxz n GLN 78 Cb 0.43 -5.59 -0.07 0.00 0.11 0.00 0.00 30.24 25.12 3gxz n GLN 78 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 3gxz s GLN 79 N -3.95 3.51 -0.03 -1.09 -1.52 -1.21 -4.77 119.66 110.59 3gxz s GLN 79 Ca 0.00 -0.17 -0.29 0.00 -1.95 0.00 0.00 55.36 52.95 3gxz s GLN 79 Cb 0.00 -3.18 -0.03 0.00 -0.22 0.00 0.00 33.01 29.58 3gxz s GLN 79 CO 0.00 0.70 0.93 -0.06 -0.25 0.00 0.00 175.29 176.61 3gxz s PHE 80 N -0.80 3.61 0.21 0.91 0.08 -1.26 0.12 117.98 120.85 3gxz s PHE 80 Ca 0.14 1.59 0.06 0.00 0.12 0.00 0.00 56.93 58.84 3gxz s PHE 80 Cb -0.12 -3.07 -0.05 0.00 -0.57 0.00 0.00 43.02 39.21 3gxz s PHE 80 CO 0.03 -0.03 -0.10 0.14 -0.10 0.00 0.00 175.22 175.16 3gxz s VAL 81 N 1.17 1.45 0.70 -0.44 -7.23 -0.14 -4.85 120.40 111.07 3gxz s VAL 81 Ca 0.48 -2.13 -0.11 0.00 -1.81 0.00 0.00 61.98 58.42 3gxz s VAL 81 Cb -0.20 -2.11 0.01 0.00 0.56 0.00 0.00 36.38 34.65 3gxz s VAL 81 CO 0.24 -0.54 1.06 -0.44 -0.31 0.00 0.00 175.10 175.11 3gxz s SER 82 N -3.30 5.33 -0.26 4.85 0.01 -1.26 -0.32 113.70 118.75 3gxz s SER 82 Ca 0.23 1.56 -0.29 0.00 1.31 0.00 0.00 55.95 58.76 3gxz s SER 82 Cb 0.02 -2.43 0.18 0.00 0.21 0.00 0.00 66.02 64.00 3gxz s SER 82 CO 0.06 -1.47 1.29 0.28 0.41 0.00 0.00 173.24 173.82 3gxz s THR 83 N -3.07 0.00 0.21 1.44 -1.32 -0.66 -4.81 115.64 107.42 3gxz s THR 83 Ca 0.58 0.00 -0.14 0.00 -1.21 0.00 0.00 61.69 60.92 3gxz s THR 83 Cb -0.14 -1.00 0.01 0.00 -1.51 0.00 0.00 72.50 69.86 3gxz s THR 83 CO 0.55 0.00 0.45 -1.59 -2.21 0.00 0.00 174.62 171.82 3gxz s LYS 84 N -1.01 1.39 -0.14 7.08 -2.85 -1.26 -1.46 119.74 121.48 3gxz s LYS 84 Ca 0.07 -1.07 -0.18 0.00 -1.00 0.00 0.00 55.97 53.80 3gxz s LYS 84 Cb -0.01 0.47 0.04 0.00 -2.06 0.00 0.00 37.83 36.28 3gxz s LYS 84 CO -0.06 -0.57 0.47 -1.50 0.10 0.00 0.00 175.35 173.79 3gxz s ILE 85 N -3.94 0.01 -0.46 3.79 2.07 -0.60 -4.99 121.20 117.08 3gxz s ILE 85 Ca 0.15 -0.08 -0.24 0.00 -1.41 0.00 0.00 60.65 59.07 3gxz s ILE 85 Cb 0.00 -0.69 0.03 0.00 0.13 0.00 0.00 42.46 41.92 3gxz s ILE 85 CO 0.02 -0.05 0.84 0.21 -1.91 0.00 0.00 174.94 174.05 3gxz s ASN 86 N -0.17 6.44 0.42 4.50 3.84 -1.26 -1.15 114.94 127.55 3gxz s ASN 86 Ca -0.04 -0.03 0.29 0.00 0.21 0.00 0.00 52.86 53.30 3gxz s ASN 86 Cb -0.03 -2.41 1.31 0.00 -0.55 0.00 0.00 41.25 39.57 3gxz s ASN 86 CO 0.02 -0.97 1.88 -0.07 -2.79 0.00 0.00 177.10 175.17 3gxz h LEU 87 N 10.31 0.00 -1.67 3.21 3.38 -1.71 -1.68 115.31 127.15 3gxz h LEU 87 Ca -0.24 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.69 3gxz h LEU 87 Cb 1.08 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.83 3gxz h LEU 87 CO 0.99 0.00 -0.13 0.44 0.09 0.00 0.00 178.44 179.82 3gxz h ASP 88 N 0.00 0.04 -0.86 -0.43 3.32 -1.83 -0.57 116.42 116.10 3gxz h ASP 88 Ca 0.00 -0.01 0.18 0.00 0.02 0.00 0.00 57.03 57.22 3gxz h ASP 88 Cb 0.34 -0.01 -0.11 0.00 0.22 0.00 0.00 39.33 39.77 3gxz h ASP 88 CO 0.00 0.18 0.40 0.44 -1.72 0.00 0.00 179.24 178.54 3gxz h ASP 89 N 0.04 0.41 0.00 6.45 3.32 -1.70 -3.35 116.42 121.59 3gxz h ASP 89 Ca 0.01 0.12 0.00 0.00 0.02 0.00 0.00 57.03 57.18 3gxz h ASP 89 Cb 0.26 0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.88 3gxz h ASP 89 CO 0.02 0.11 0.00 1.41 -1.72 0.00 0.00 179.24 179.06 3gxz n HIS 90 N -4.96 0.00 -3.09 4.55 8.25 -1.17 -5.01 115.22 113.78 3gxz n HIS 90 Ca 0.19 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.24 3gxz n HIS 90 Cb 0.52 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.57 3gxz n HIS 90 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 3gxz s ILE 91 N -0.07 4.93 0.20 1.59 -1.09 -0.23 -0.99 121.20 125.53 3gxz s ILE 91 Ca 0.00 0.95 0.11 0.00 -2.23 0.00 0.00 60.65 59.48 3gxz s ILE 91 Cb 0.00 -4.00 -0.04 0.00 -1.58 0.00 0.00 42.46 36.83 3gxz s ILE 91 CO 0.00 -0.12 -0.21 0.00 -1.23 0.00 0.00 174.94 173.38 3gxz s ALA 92 N 2.63 2.62 -0.56 9.38 0.00 0.20 -4.66 121.76 131.37 3gxz s ALA 92 Ca 0.26 -1.64 -0.22 0.00 0.00 0.00 0.00 51.96 50.37 3gxz s ALA 92 Cb -0.15 -0.39 0.06 0.00 0.00 0.00 0.00 23.12 22.64 3gxz s ALA 92 CO 0.11 0.42 0.82 1.21 0.00 0.00 0.00 175.76 178.33 3gxz s ASN 93 N -2.78 6.25 -0.50 0.00 2.47 -1.26 -0.57 114.94 118.55 3gxz s ASN 93 Ca 0.22 -0.75 -0.13 0.00 0.42 0.00 0.00 52.86 52.62 3gxz s ASN 93 Cb -0.08 -2.37 0.12 0.00 -1.45 0.00 0.00 41.25 37.47 3gxz s ASN 93 CO 0.11 -1.15 0.43 -0.63 -3.72 0.00 0.00 177.10 172.13 3gxz s ILE 94 N 3.44 4.83 -1.53 -5.21 -1.09 0.12 -4.62 121.20 117.14 3gxz s ILE 94 Ca 0.22 -1.55 -0.04 0.00 -2.23 0.00 0.00 60.65 57.05 3gxz s ILE 94 Cb -0.16 -4.09 0.04 0.00 -1.58 0.00 0.00 42.46 36.66 3gxz s ILE 94 CO 0.14 -0.79 0.33 -0.67 -1.23 0.00 0.00 174.94 172.72 3gxz n ASP 95 N 5.11 -0.37 0.00 3.58 2.03 -1.26 -1.33 116.55 124.32 3gxz n ASP 95 Ca -0.12 -1.12 0.00 0.00 0.52 0.00 0.00 54.79 54.08 3gxz n ASP 95 Cb 0.41 -2.41 0.00 0.00 -0.72 0.00 0.00 41.12 38.40 3gxz n ASP 95 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3gxz n GLY 96 N -2.06 0.23 3.37 0.27 0.00 -1.26 -5.05 105.19 100.69 3gxz n GLY 96 Ca -0.24 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.46 3gxz n GLY 96 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3gxz s THR 97 N -2.07 2.73 0.22 2.61 2.01 -0.44 -5.09 115.64 115.60 3gxz s THR 97 Ca 0.00 -0.81 -0.30 0.00 0.31 0.00 0.00 61.69 60.89 3gxz s THR 97 Cb 0.00 -2.08 -0.09 0.00 0.01 0.00 0.00 72.50 70.34 3gxz s THR 97 CO 0.00 0.56 1.20 -0.76 -0.69 0.00 0.00 174.62 174.93 3gxz s LEU 98 N -0.11 4.46 -0.06 4.42 1.43 -1.26 0.14 118.68 127.71 3gxz s LEU 98 Ca -0.03 2.30 -0.06 0.00 -1.03 0.00 0.00 54.13 55.32 3gxz s LEU 98 Cb -0.14 -3.62 0.02 0.00 0.03 0.00 0.00 46.19 42.48 3gxz s LEU 98 CO 0.04 -0.36 0.17 -0.54 0.23 0.00 0.00 176.35 175.89 3gxz s LYS 99 N -0.62 0.22 -0.31 1.70 -0.14 0.27 -4.91 119.74 115.94 3gxz s LYS 99 Ca 0.51 0.19 -0.24 0.00 -1.36 0.00 0.00 55.97 55.07 3gxz s LYS 99 Cb -0.34 0.10 0.00 0.00 -1.68 0.00 0.00 37.83 35.92 3gxz s LYS 99 CO 0.39 -0.03 0.83 -0.47 -0.76 0.00 0.00 175.35 175.32 3gxz s TYR 100 N -0.01 3.19 0.00 3.18 5.04 -1.26 -0.63 117.35 126.86 3gxz s TYR 100 Ca -0.01 0.86 0.00 0.00 -2.44 0.00 0.00 57.07 55.48 3gxz s TYR 100 Cb -0.02 -3.30 0.00 0.00 0.35 0.00 0.00 41.96 39.00 3gxz s TYR 100 CO 0.00 -0.60 0.00 -0.85 -1.34 0.00 0.00 175.55 172.76