#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 1.43 3.67 -0.72 0.00 -1.26 -4.96 105.19 103.35 3gxz n GLY 2 Ca 0.00 -0.81 -0.25 0.00 0.00 0.00 0.00 46.02 44.95 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 6.79 -7.47 0.12 1.61 5.02 -1.26 -4.87 118.16 118.09 3gxz n LYS 3 Ca 0.00 0.78 0.02 0.00 -2.02 0.00 0.00 58.31 57.09 3gxz n LYS 3 Cb 0.00 -5.80 0.36 0.00 -0.02 0.00 0.00 35.03 29.57 3gxz n LYS 3 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 3gxz h PHE 4 N -2.58 0.23 0.00 2.13 -0.00 -2.00 -2.90 116.94 111.82 3gxz h PHE 4 Ca -0.57 -0.03 0.00 0.00 -0.00 0.00 0.00 57.97 57.37 3gxz h PHE 4 Cb 1.37 -0.06 0.00 0.00 -0.00 0.00 0.00 35.95 37.26 3gxz h PHE 4 CO 0.52 0.40 0.00 -1.13 -0.00 0.00 0.00 178.31 178.10 3gxz n SER 5 N -4.23 0.00 0.22 -0.68 3.41 -1.26 -2.14 113.62 108.94 3gxz n SER 5 Ca -0.01 0.10 0.13 0.00 -0.26 0.00 0.00 58.87 58.83 3gxz n SER 5 Cb 0.31 -0.31 0.33 0.00 -0.26 0.00 0.00 64.21 64.28 3gxz n SER 5 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 3gxz h GLN 6 N 0.00 0.00 0.00 4.33 4.20 -1.90 -3.34 115.11 118.39 3gxz h GLN 6 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3gxz h GLN 6 Cb 0.17 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.95 3gxz h GLN 6 CO 0.00 0.00 -0.47 0.25 -0.67 0.00 0.00 178.83 177.94 3gxz n THR 7 N -2.97 0.00 -4.15 -0.54 -2.24 -0.91 -5.07 114.28 98.40 3gxz n THR 7 Ca 0.03 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.71 3gxz n THR 7 Cb 0.46 0.51 -0.10 0.00 -2.10 0.00 0.00 70.33 69.09 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 -3.62 0.40 -0.80 0.00 1.13 0.25 -4.78 117.35 109.93 3gxz s TYR 9 Ca 0.10 -0.77 -0.01 0.00 -1.41 0.00 0.00 57.07 54.99 3gxz s TYR 9 Cb 0.05 0.21 -0.00 0.00 -1.10 0.00 0.00 41.96 41.12 3gxz s TYR 9 CO -0.06 -1.04 0.65 -1.71 -2.51 0.00 0.00 175.55 170.88 3gxz n ASN 10 N -0.53 -6.10 -4.84 -0.18 5.15 -1.26 -1.51 115.26 105.98 3gxz n ASN 10 Ca -0.02 -0.59 -0.27 0.00 -0.60 0.00 0.00 54.58 53.10 3gxz n ASN 10 Cb 0.62 -3.25 -0.05 0.00 -0.53 0.00 0.00 39.78 36.57 3gxz n ASN 10 CO 0.00 0.00 0.00 -0.44 1.40 0.00 0.00 177.26 178.22 3gxz s SER 11 N -3.01 5.79 0.07 1.20 0.01 -1.26 -3.85 113.70 112.65 3gxz s SER 11 Ca 0.02 -0.01 -0.10 0.00 1.31 0.00 0.00 55.95 57.16 3gxz s SER 11 Cb -0.01 -1.60 0.01 0.00 0.21 0.00 0.00 66.02 64.63 3gxz s SER 11 CO 0.83 0.09 0.23 0.00 0.41 0.00 0.00 173.24 174.80 3gxz s ALA 12 N -1.68 -0.41 -0.12 1.44 0.00 0.94 -4.98 121.76 116.95 3gxz s ALA 12 Ca 0.32 -0.37 0.01 0.00 0.00 0.00 0.00 51.96 51.92 3gxz s ALA 12 Cb -0.11 0.43 0.02 0.00 0.00 0.00 0.00 23.12 23.46 3gxz s ALA 12 CO 0.25 -0.47 -0.13 0.42 0.00 0.00 0.00 175.76 175.83 3gxz s ILE 13 N -3.32 1.41 -0.27 0.00 1.01 -1.26 -0.97 121.20 117.79 3gxz s ILE 13 Ca 0.01 -0.55 0.02 0.00 0.00 0.00 0.00 60.65 60.12 3gxz s ILE 13 Cb 0.02 -1.33 0.07 0.00 0.01 0.00 0.00 42.46 41.24 3gxz s ILE 13 CO -0.08 0.43 -0.02 -1.58 0.00 0.00 0.00 174.94 173.68 3gxz s GLN 14 N 1.34 1.58 6.87 2.79 2.00 -0.31 -4.96 119.66 128.98 3gxz s GLN 14 Ca 0.00 -1.25 0.00 0.00 -2.00 0.00 0.00 55.36 52.12 3gxz s GLN 14 Cb -0.14 -2.70 0.00 0.00 0.80 0.00 0.00 33.01 30.98 3gxz s GLN 14 CO -0.07 -0.71 0.00 0.41 -0.50 0.00 0.00 175.29 174.42 3gxz n GLY 15 N 4.56 2.22 0.59 2.59 0.00 -1.26 -2.24 105.19 111.66 3gxz n GLY 15 Ca -0.08 -0.10 0.05 0.00 0.00 0.00 0.00 46.02 45.90 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 10.01 2.73 -4.76 1.61 3.41 -1.26 -5.00 113.62 120.36 3gxz n SER 16 Ca 0.00 -1.90 -0.36 0.00 -0.26 0.00 0.00 58.87 56.35 3gxz n SER 16 Cb 0.00 -0.19 -0.08 0.00 -0.26 0.00 0.00 64.21 63.69 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 -0.98 5.30 -0.13 -3.33 1.01 -0.95 0.53 120.40 121.85 3gxz s VAL 17 Ca 0.21 0.14 -0.02 0.00 0.00 0.00 0.00 61.98 62.31 3gxz s VAL 17 Cb 0.11 -3.37 -0.03 0.00 0.00 0.00 0.00 36.38 33.10 3gxz s VAL 17 CO 0.15 0.51 -0.05 -0.22 0.00 0.00 0.00 175.10 175.50 3gxz s LEU 18 N -0.17 3.23 -0.01 3.92 2.96 -0.29 -1.16 118.68 127.16 3gxz s LEU 18 Ca 0.10 -0.10 0.06 0.00 -0.22 0.00 0.00 54.13 53.97 3gxz s LEU 18 Cb -0.12 -1.75 -0.02 0.00 0.50 0.00 0.00 46.19 44.80 3gxz s LEU 18 CO 0.01 0.23 -0.18 -0.89 -1.32 0.00 0.00 176.35 174.19 3gxz s THR 19 N 0.00 1.41 0.12 3.68 2.01 -0.14 -0.79 115.64 121.93 3gxz s THR 19 Ca 0.00 -0.81 -0.25 0.00 0.31 0.00 0.00 61.69 60.95 3gxz s THR 19 Cb -0.13 -1.18 0.08 0.00 0.01 0.00 0.00 72.50 71.27 3gxz s THR 19 CO 0.03 0.36 0.69 -0.44 -0.69 0.00 0.00 174.62 174.57 3gxz s SER 20 N -0.52 -0.49 -0.18 3.53 0.01 -0.94 -0.04 113.70 115.06 3gxz s SER 20 Ca 0.07 -0.04 -0.02 0.00 1.31 0.00 0.00 55.95 57.27 3gxz s SER 20 Cb -0.07 0.54 -0.01 0.00 0.21 0.00 0.00 66.02 66.70 3gxz s SER 20 CO -0.00 -0.89 -0.10 -0.89 0.41 0.00 0.00 173.24 171.76 3gxz s THR 21 N -3.57 3.03 0.10 1.44 2.01 -0.57 -2.37 115.64 115.71 3gxz s THR 21 Ca 0.03 -0.63 0.09 0.00 0.31 0.00 0.00 61.69 61.49 3gxz s THR 21 Cb -0.01 -2.33 -0.03 0.00 0.01 0.00 0.00 72.50 70.13 3gxz s THR 21 CO -0.10 0.48 -0.22 0.00 -0.69 0.00 0.00 174.62 174.08 3gxz s GLU 23 N -1.80 4.38 0.81 0.00 2.02 -0.03 -1.57 118.70 122.51 3gxz s GLU 23 Ca 0.08 1.60 -0.12 0.00 0.02 0.00 0.00 54.97 56.55 3gxz s GLU 23 Cb -0.10 -3.53 0.08 0.00 0.10 0.00 0.00 34.13 30.68 3gxz s GLU 23 CO 0.04 -0.38 1.16 1.03 0.02 0.00 0.00 175.26 177.13 3gxz s ARG 24 N 2.02 1.72 0.28 1.61 0.52 -0.87 -4.89 118.95 119.34 3gxz s ARG 24 Ca 0.54 1.58 -0.02 0.00 -0.52 0.00 0.00 55.73 57.31 3gxz s ARG 24 Cb -0.23 -1.80 0.60 0.00 0.52 0.00 0.00 34.95 34.03 3gxz s ARG 24 CO 0.22 -2.12 1.61 1.79 0.02 0.00 0.00 175.30 176.82 3gxz h THR 25 N -1.04 0.21 -2.40 0.02 1.35 -1.96 -3.39 112.91 105.70 3gxz h THR 25 Ca -0.45 -0.03 -0.06 0.00 -0.55 0.00 0.00 66.41 65.32 3gxz h THR 25 Cb 1.27 0.12 -0.25 0.00 -1.73 0.00 0.00 68.15 67.56 3gxz h THR 25 CO 0.47 0.02 -0.24 0.20 -0.25 0.00 0.00 175.52 175.71 3gxz s ASN 26 N -5.11 -0.59 0.00 5.36 0.01 -1.26 -5.09 114.94 108.25 3gxz s ASN 26 Ca -0.13 1.13 0.00 0.00 -0.71 0.00 0.00 52.86 53.15 3gxz s ASN 26 Cb 0.25 1.28 0.00 0.00 0.41 0.00 0.00 41.25 43.20 3gxz s ASN 26 CO 0.77 -0.22 0.00 0.61 -1.51 0.00 0.00 177.10 176.75 3gxz n GLY 27 N 4.81 0.28 0.00 0.66 0.00 -1.26 -5.11 105.19 104.57 3gxz n GLY 27 Ca -0.16 -1.47 0.00 0.00 0.00 0.00 0.00 46.02 44.39 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 1.57 3.25 -0.02 0.00 -1.26 -4.76 105.19 103.98 3gxz n GLY 28 Ca 0.00 -1.64 -0.16 0.00 0.00 0.00 0.00 46.02 44.22 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 3.17 1.37 0.01 1.61 2.02 -1.26 -2.04 117.35 122.23 3gxz s TYR 29 Ca 0.00 -0.64 0.02 0.00 -0.37 0.00 0.00 57.07 56.08 3gxz s TYR 29 Cb 0.00 -0.70 -0.01 0.00 -0.40 0.00 0.00 41.96 40.85 3gxz s TYR 29 CO 0.00 0.14 -0.05 1.21 -1.57 0.00 0.00 175.55 175.28 3gxz s ASN 30 N -2.84 0.61 -0.32 2.29 3.04 -0.61 -4.89 114.94 112.23 3gxz s ASN 30 Ca 0.13 -0.25 -0.06 0.00 0.04 0.00 0.00 52.86 52.72 3gxz s ASN 30 Cb -0.01 -0.02 0.03 0.00 -1.54 0.00 0.00 41.25 39.71 3gxz s ASN 30 CO 0.02 -0.05 0.09 -0.89 -3.04 0.00 0.00 177.10 173.24 3gxz s THR 31 N -0.58 3.76 0.37 -5.21 2.01 -1.26 -1.22 115.64 113.52 3gxz s THR 31 Ca -0.03 -1.03 0.07 0.00 0.31 0.00 0.00 61.69 61.01 3gxz s THR 31 Cb -0.05 -3.08 -0.07 0.00 0.01 0.00 0.00 72.50 69.31 3gxz s THR 31 CO -0.00 -0.10 -0.01 -0.94 -0.69 0.00 0.00 174.62 172.88 3gxz s SER 32 N 1.42 3.53 0.09 3.53 1.04 -1.00 -4.97 113.70 117.34 3gxz s SER 32 Ca -0.01 -1.32 0.03 0.00 0.48 0.00 0.00 55.95 55.13 3gxz s SER 32 Cb -0.19 -0.32 -0.04 0.00 0.10 0.00 0.00 66.02 65.57 3gxz s SER 32 CO 0.02 -0.42 -0.09 -0.94 0.98 0.00 0.00 173.24 172.79 3gxz s SER 33 N -3.64 1.33 -0.03 7.02 1.04 -1.26 -2.23 113.70 115.94 3gxz s SER 33 Ca 0.34 -0.84 -0.01 0.00 0.48 0.00 0.00 55.95 55.93 3gxz s SER 33 Cb 0.08 0.03 0.03 0.00 0.10 0.00 0.00 66.02 66.26 3gxz s SER 33 CO 0.17 -0.31 0.05 -0.51 0.98 0.00 0.00 173.24 173.63 3gxz s ILE 34 N -2.66 -0.06 -0.18 -1.02 2.07 0.03 -4.97 121.20 114.41 3gxz s ILE 34 Ca 0.06 0.22 -0.25 0.00 -1.41 0.00 0.00 60.65 59.27 3gxz s ILE 34 Cb -0.01 -0.11 -0.01 0.00 0.13 0.00 0.00 42.46 42.45 3gxz s ILE 34 CO -0.01 0.09 0.82 -0.62 -1.91 0.00 0.00 174.94 173.31 3gxz s ASP 35 N 1.12 6.92 0.00 4.50 3.68 -1.26 -1.14 116.67 130.49 3gxz s ASP 35 Ca -0.09 1.14 0.24 0.00 2.13 0.00 0.00 52.55 55.96 3gxz s ASP 35 Cb -0.13 -2.45 0.94 0.00 -1.45 0.00 0.00 42.92 39.84 3gxz s ASP 35 CO -0.04 -0.41 1.66 0.18 0.13 0.00 0.00 175.17 176.70 3gxz n LEU 36 N 5.32 1.39 0.12 -1.34 4.77 0.19 -4.17 117.00 123.27 3gxz n LEU 36 Ca 0.04 -0.54 0.04 0.00 -0.03 0.00 0.00 56.01 55.52 3gxz n LEU 36 Cb 0.49 -0.06 0.44 0.00 -2.33 0.00 0.00 43.42 41.96 3gxz n LEU 36 CO 0.48 0.27 0.98 -0.55 -1.33 0.00 0.00 177.39 177.24 3gxz h ASN 37 N 1.96 0.24 -0.43 -1.43 -1.07 -1.90 -1.90 115.58 111.06 3gxz h ASN 37 Ca 0.00 -0.03 0.00 0.00 0.07 0.00 0.00 56.30 56.34 3gxz h ASN 37 Cb 0.42 -0.06 0.00 0.00 -2.07 0.00 0.00 38.32 36.61 3gxz h ASN 37 CO 0.00 0.31 0.00 -1.54 0.07 0.00 0.00 177.43 176.27 3gxz n SER 38 N -4.36 4.07 -0.02 6.14 3.41 -1.26 -4.48 113.62 117.11 3gxz n SER 38 Ca -0.00 -2.58 -0.01 0.00 -0.26 0.00 0.00 58.87 56.02 3gxz n SER 38 Cb 0.19 -0.49 -0.07 0.00 -0.26 0.00 0.00 64.21 63.59 3gxz n SER 38 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 3gxz n VAL 39 N 0.35 0.32 -4.30 -3.33 0.31 -0.72 -4.87 118.33 106.08 3gxz n VAL 39 Ca 0.21 -0.28 -0.16 0.00 -0.01 0.00 0.00 64.34 64.10 3gxz n VAL 39 Cb 0.80 -0.34 -0.10 0.00 -0.91 0.00 0.00 33.84 33.29 3gxz n VAL 39 CO 0.00 0.00 0.00 0.27 -1.32 0.00 0.00 176.83 175.78 3gxz s ILE 40 N -2.36 0.62 0.18 2.52 -4.36 -1.16 -1.34 121.20 115.30 3gxz s ILE 40 Ca -0.04 -2.00 -0.08 0.00 -0.26 0.00 0.00 60.65 58.28 3gxz s ILE 40 Cb 0.04 -2.49 -0.01 0.00 1.25 0.00 0.00 42.46 41.24 3gxz s ILE 40 CO 0.34 -0.14 0.28 -1.83 0.24 0.00 0.00 174.94 173.84 3gxz s GLU 41 N -3.99 1.22 -0.28 0.37 -1.05 0.26 -4.75 118.70 110.48 3gxz s GLU 41 Ca 0.34 -1.27 -0.07 0.00 -0.15 0.00 0.00 54.97 53.82 3gxz s GLU 41 Cb 0.07 0.37 0.00 0.00 -0.44 0.00 0.00 34.13 34.13 3gxz s GLU 41 CO 0.11 -0.45 0.07 1.21 0.95 0.00 0.00 175.26 177.15 3gxz s ASN 42 N -3.01 5.07 -0.36 0.83 2.47 -1.26 -1.26 114.94 117.42 3gxz s ASN 42 Ca 0.22 -0.58 -0.03 0.00 0.42 0.00 0.00 52.86 52.89 3gxz s ASN 42 Cb 0.03 -1.88 0.08 0.00 -1.45 0.00 0.00 41.25 38.03 3gxz s ASN 42 CO 0.04 -0.15 0.12 -0.69 -3.72 0.00 0.00 177.10 172.70 3gxz s VAL 43 N 1.52 3.25 -1.47 -5.21 1.01 0.38 -4.70 120.40 115.17 3gxz s VAL 43 Ca 0.04 -1.69 -0.13 0.00 0.00 0.00 0.00 61.98 60.19 3gxz s VAL 43 Cb -0.17 -3.05 0.10 0.00 0.00 0.00 0.00 36.38 33.26 3gxz s VAL 43 CO 0.02 -0.42 0.71 -0.67 0.00 0.00 0.00 175.10 174.75 3gxz n ASP 44 N 4.63 -3.98 0.00 3.32 2.03 -1.26 -1.14 116.55 120.16 3gxz n ASP 44 Ca -0.07 -0.66 0.00 0.00 0.52 0.00 0.00 54.79 54.58 3gxz n ASP 44 Cb 0.42 -3.24 0.00 0.00 -0.72 0.00 0.00 41.12 37.58 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 -1.38 0.45 3.50 0.27 0.00 -1.26 -5.06 105.19 101.71 3gxz n GLY 45 Ca 0.03 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.44 4.22 0.17 1.61 0.01 -0.29 -5.09 113.70 111.89 3gxz s SER 46 Ca 0.00 -0.15 -0.25 0.00 1.31 0.00 0.00 55.95 56.86 3gxz s SER 46 Cb 0.00 -1.00 -0.08 0.00 0.21 0.00 0.00 66.02 65.15 3gxz s SER 46 CO 0.00 0.34 0.78 -0.76 0.41 0.00 0.00 173.24 174.01 3gxz s LEU 47 N -0.68 4.59 0.19 2.44 1.43 -1.26 -0.47 118.68 124.92 3gxz s LEU 47 Ca 0.10 1.66 -0.06 0.00 -1.03 0.00 0.00 54.13 54.80 3gxz s LEU 47 Cb -0.11 -3.31 -0.02 0.00 0.03 0.00 0.00 46.19 42.77 3gxz s LEU 47 CO 0.01 0.21 0.24 -1.59 0.23 0.00 0.00 176.35 175.45 3gxz s LYS 48 N -1.16 1.22 0.14 1.70 -2.85 -0.39 -4.96 119.74 113.44 3gxz s LYS 48 Ca 0.36 -1.39 -0.30 0.00 -1.00 0.00 0.00 55.97 53.64 3gxz s LYS 48 Cb -0.23 0.34 -0.07 0.00 -2.06 0.00 0.00 37.83 35.81 3gxz s LYS 48 CO 0.26 -0.44 0.95 -1.58 0.10 0.00 0.00 175.35 174.65 3gxz s TRP 49 N -4.06 3.86 -0.37 1.78 0.52 -1.26 -0.57 118.94 118.83 3gxz s TRP 49 Ca 0.27 1.83 -0.20 0.00 0.02 0.00 0.00 56.10 58.02 3gxz s TRP 49 Cb 0.04 -3.03 0.00 0.00 -1.15 0.00 0.00 33.47 29.33 3gxz s TRP 49 CO 0.06 0.27 0.61 -1.14 0.02 0.00 0.00 176.95 176.77 3gxz s GLN 50 N -0.30 3.60 0.87 4.98 0.74 -0.45 -4.82 119.66 124.28 3gxz s GLN 50 Ca 0.45 -0.07 -0.12 0.00 0.05 0.00 0.00 55.36 55.68 3gxz s GLN 50 Cb -0.24 -3.83 0.11 0.00 1.10 0.00 0.00 33.01 30.15 3gxz s GLN 50 CO 0.30 -0.76 1.13 -1.25 -0.55 0.00 0.00 175.29 174.16 3gxz s PRO 51 N 2.66 1.50 0.35 1.67 0.04 -1.26 -4.85 135.00 135.11 3gxz s PRO 51 Ca 0.23 0.38 -0.07 0.00 0.04 0.00 0.00 61.00 61.57 3gxz s PRO 51 Cb -0.15 -1.87 0.02 0.00 0.04 0.00 0.00 34.50 32.54 3gxz s PRO 51 CO 0.15 -1.97 0.58 0.45 0.04 0.00 0.00 177.00 176.26 3gxz s SER 52 N -4.04 0.57 0.00 6.66 0.15 -1.26 -5.09 113.70 110.70 3gxz s SER 52 Ca 0.63 -1.35 0.00 0.00 0.70 0.00 0.00 55.95 55.93 3gxz s SER 52 Cb -0.14 0.73 0.00 0.00 -1.71 0.00 0.00 66.02 64.89 3gxz s SER 52 CO 0.53 -1.43 0.36 -0.46 1.20 0.00 0.00 173.24 173.45 3gxz n ASN 53 N -1.37 0.33 -0.28 5.45 6.94 -1.26 -4.84 115.26 120.22 3gxz n ASN 53 Ca -0.02 -1.11 -0.03 0.00 -0.02 0.00 0.00 54.58 53.40 3gxz n ASN 53 Cb 0.61 0.00 0.09 0.00 -2.36 0.00 0.00 39.78 38.12 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 0.00 0.93 -0.20 -2.53 3.57 -1.97 -0.20 116.94 116.55 3gxz h PHE 54 Ca 0.00 0.02 -0.19 0.00 3.53 0.00 0.00 57.97 61.33 3gxz h PHE 54 Cb 0.64 -0.31 0.00 0.00 2.79 0.00 0.00 35.95 39.08 3gxz h PHE 54 CO 0.00 0.55 -0.65 0.82 -2.23 0.00 0.00 178.31 176.80 3gxz h ILE 55 N 0.98 1.30 -0.00 1.41 1.08 -1.88 -2.55 117.51 117.84 3gxz h ILE 55 Ca 0.31 -1.88 0.00 0.00 -0.39 0.00 0.00 64.86 62.90 3gxz h ILE 55 Cb -0.01 1.84 0.00 0.00 -3.07 0.00 0.00 36.82 35.57 3gxz h ILE 55 CO -0.10 0.59 -0.36 -0.62 -0.69 0.00 0.00 178.15 176.97 3gxz n GLU 56 N -3.95 0.51 0.00 2.37 1.02 -0.96 -4.39 120.64 115.24 3gxz n GLU 56 Ca -0.05 -0.31 0.00 0.00 -0.02 0.00 0.00 57.16 56.78 3gxz n GLU 56 Cb 0.67 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 30.60 3gxz n GLU 56 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 3gxz n THR 57 N -0.98 0.06 -4.51 2.62 -2.24 -0.13 -5.07 114.28 104.04 3gxz n THR 57 Ca 0.09 -0.08 -0.24 0.00 -2.27 0.00 0.00 64.05 61.56 3gxz n THR 57 Cb 0.34 1.31 -0.11 0.00 -2.10 0.00 0.00 70.33 69.78 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 -3.73 1.34 -1.10 0.00 1.70 0.60 -4.81 118.95 112.95 3gxz s ARG 59 Ca 0.33 -1.09 -0.24 0.00 -0.47 0.00 0.00 55.73 54.26 3gxz s ARG 59 Cb 0.06 0.45 0.03 0.00 -0.57 0.00 0.00 34.95 34.92 3gxz s ARG 59 CO 0.15 -0.54 0.68 0.09 -1.08 0.00 0.00 175.30 174.60 3gxz n ASN 60 N -0.30 -4.53 -4.79 -2.89 3.02 -1.26 -1.75 115.26 102.75 3gxz n ASN 60 Ca -0.07 -1.17 -0.32 0.00 -0.03 0.00 0.00 54.58 53.00 3gxz n ASN 60 Cb 0.62 -1.93 0.05 0.00 -0.61 0.00 0.00 39.78 37.92 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 -3.37 3.65 -0.12 3.41 -4.23 -1.26 -4.36 115.64 109.35 3gxz s THR 61 Ca 0.36 0.63 -0.22 0.00 -1.18 0.00 0.00 61.69 61.28 3gxz s THR 61 Cb -0.19 -3.21 0.05 0.00 1.34 0.00 0.00 72.50 70.49 3gxz s THR 61 CO 0.94 -0.60 0.55 -1.10 -0.54 0.00 0.00 174.62 173.87 3gxz s GLN 62 N -4.60 0.79 0.04 3.99 -0.21 0.13 -4.95 119.66 114.85 3gxz s GLN 62 Ca 0.62 0.43 -0.28 0.00 0.02 0.00 0.00 55.36 56.15 3gxz s GLN 62 Cb -0.16 0.37 -0.05 0.00 1.00 0.00 0.00 33.01 34.17 3gxz s GLN 62 CO 0.48 -0.18 0.89 -1.17 -2.12 0.00 0.00 175.29 173.19 3gxz s LEU 63 N -0.48 4.43 -0.34 2.90 2.96 -1.26 -0.21 118.68 126.67 3gxz s LEU 63 Ca -0.06 1.60 0.04 0.00 -0.22 0.00 0.00 54.13 55.49 3gxz s LEU 63 Cb -0.03 -3.43 0.10 0.00 0.50 0.00 0.00 46.19 43.33 3gxz s LEU 63 CO 0.04 -0.11 0.06 0.00 -1.32 0.00 0.00 176.35 175.03 3gxz s ALA 64 N 0.36 2.86 0.00 5.97 0.00 0.22 -4.93 121.76 126.24 3gxz s ALA 64 Ca 0.45 -2.53 0.00 0.00 0.00 0.00 0.00 51.96 49.88 3gxz s ALA 64 Cb -0.21 -1.96 0.00 0.00 0.00 0.00 0.00 23.12 20.94 3gxz s ALA 64 CO 0.26 -1.70 0.00 0.41 0.00 0.00 0.00 175.76 174.73 3gxz n GLY 65 N 4.23 0.33 0.17 0.00 0.00 -1.26 -2.67 105.19 105.99 3gxz n GLY 65 Ca 0.04 -0.86 -0.06 0.00 0.00 0.00 0.00 46.02 45.14 3gxz n GLY 65 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3gxz h SER 66 N 6.70 -0.57 0.00 1.61 0.02 -2.05 -3.39 113.55 115.87 3gxz h SER 66 Ca 0.00 0.06 0.00 0.00 -0.84 0.00 0.00 61.79 61.01 3gxz h SER 66 Cb 0.00 0.21 0.00 0.00 0.14 0.00 0.00 62.40 62.75 3gxz h SER 66 CO 0.00 -0.19 0.00 -1.54 -1.14 0.00 0.00 176.83 173.96 3gxz n SER 67 N -3.51 0.69 -4.64 3.07 3.41 -1.26 -5.04 113.62 106.34 3gxz n SER 67 Ca -0.03 -1.09 -0.40 0.00 -0.26 0.00 0.00 58.87 57.10 3gxz n SER 67 Cb 0.14 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.02 3gxz n SER 67 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 3gxz s GLU 68 N -0.09 4.13 -0.13 4.33 2.12 -1.09 0.26 118.70 128.22 3gxz s GLU 68 Ca 0.00 0.43 -0.14 0.00 0.36 0.00 0.00 54.97 55.62 3gxz s GLU 68 Cb 0.00 -3.62 -0.05 0.00 0.26 0.00 0.00 34.13 30.73 3gxz s GLU 68 CO 0.00 -0.29 0.30 -1.17 -0.54 0.00 0.00 175.26 173.57 3gxz s LEU 69 N 2.09 4.29 0.12 2.70 2.96 0.27 0.72 118.68 131.83 3gxz s LEU 69 Ca 0.24 0.58 0.08 0.00 -0.22 0.00 0.00 54.13 54.81 3gxz s LEU 69 Cb -0.16 -2.39 -0.04 0.00 0.50 0.00 0.00 46.19 44.11 3gxz s LEU 69 CO 0.09 0.15 -0.19 0.00 -1.32 0.00 0.00 176.35 175.08 3gxz s ALA 70 N 0.15 1.82 0.30 5.97 0.00 0.71 -1.23 121.76 129.47 3gxz s ALA 70 Ca 0.18 -1.31 -0.17 0.00 0.00 0.00 0.00 51.96 50.65 3gxz s ALA 70 Cb -0.13 -0.21 0.06 0.00 0.00 0.00 0.00 23.12 22.84 3gxz s ALA 70 CO 0.05 0.30 0.87 0.00 0.00 0.00 0.00 175.76 176.98 3gxz n ALA 71 N 0.82 -2.10 -3.74 0.00 0.00 -0.88 0.22 120.51 114.84 3gxz n ALA 71 Ca -0.17 -1.13 -0.33 0.00 0.00 0.00 0.00 53.44 51.81 3gxz n ALA 71 Cb 0.55 0.80 -0.16 0.00 0.00 0.00 0.00 19.45 20.64 3gxz n ALA 71 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3gxz s GLU 72 N -2.07 3.02 0.16 0.00 2.02 -0.72 -2.01 118.70 119.10 3gxz s GLU 72 Ca 0.18 -0.85 0.10 0.00 0.02 0.00 0.00 54.97 54.42 3gxz s GLU 72 Cb -0.04 -2.47 -0.04 0.00 0.10 0.00 0.00 34.13 31.68 3gxz s GLU 72 CO 0.09 -0.05 -0.22 0.00 0.02 0.00 0.00 175.26 175.10 3gxz s LYS 74 N -2.49 4.40 0.57 0.00 2.20 -0.42 -0.53 119.74 123.48 3gxz s LYS 74 Ca 0.15 0.94 0.02 0.00 -0.36 0.00 0.00 55.97 56.72 3gxz s LYS 74 Cb -0.08 -3.30 0.05 0.00 -1.51 0.00 0.00 37.83 32.99 3gxz s LYS 74 CO 0.07 0.47 0.79 0.95 -0.36 0.00 0.00 175.35 177.28 3gxz s THR 75 N -0.65 2.58 0.21 3.43 -4.23 0.19 -4.92 115.64 112.25 3gxz s THR 75 Ca 0.34 -0.70 -0.09 0.00 -1.18 0.00 0.00 61.69 60.05 3gxz s THR 75 Cb -0.20 -2.87 0.16 0.00 1.34 0.00 0.00 72.50 70.92 3gxz s THR 75 CO 0.22 0.00 1.85 0.03 -0.54 0.00 0.00 174.62 176.17 3gxz h ARG 76 N 0.03 0.86 -7.29 3.99 3.08 -1.98 -3.32 114.38 109.75 3gxz h ARG 76 Ca -0.40 -0.05 -0.50 0.00 0.07 0.00 0.00 59.98 59.09 3gxz h ARG 76 Cb 1.29 -0.19 0.16 0.00 0.08 0.00 0.00 29.97 31.31 3gxz h ARG 76 CO 0.49 0.57 0.25 0.00 -1.07 0.00 0.00 179.97 180.20 3gxz s ALA 77 N -6.11 1.63 -1.15 0.04 0.00 -1.26 -4.90 121.76 110.01 3gxz s ALA 77 Ca -0.13 0.30 -0.04 0.00 0.00 0.00 0.00 51.96 52.08 3gxz s ALA 77 Cb 0.16 -3.32 0.25 0.00 0.00 0.00 0.00 23.12 20.21 3gxz s ALA 77 CO 0.77 -2.40 1.82 1.04 0.00 0.00 0.00 175.76 176.99 3gxz n GLN 78 N -3.96 4.62 -4.24 0.00 1.13 -1.25 -4.94 117.38 108.74 3gxz n GLN 78 Ca 0.09 -4.20 -0.15 0.00 -1.94 0.00 0.00 57.00 50.80 3gxz n GLN 78 Cb 0.53 -2.60 -0.10 0.00 0.11 0.00 0.00 30.24 28.18 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 -2.34 1.04 -0.09 -1.09 -0.21 -1.26 -4.88 119.66 110.84 3gxz s GLN 79 Ca 0.39 -1.39 -0.13 0.00 0.02 0.00 0.00 55.36 54.25 3gxz s GLN 79 Cb 0.12 -0.68 -0.05 0.00 1.00 0.00 0.00 33.01 33.40 3gxz s GLN 79 CO -0.01 0.10 0.32 -0.06 -2.12 0.00 0.00 175.29 173.51 3gxz s PHE 80 N -3.00 3.60 0.19 0.91 0.40 -1.26 0.53 117.98 119.35 3gxz s PHE 80 Ca 0.14 0.76 0.08 0.00 -0.60 0.00 0.00 56.93 57.31 3gxz s PHE 80 Cb 0.00 -2.25 -0.04 0.00 0.51 0.00 0.00 43.02 41.24 3gxz s PHE 80 CO 0.01 0.50 -0.15 0.14 0.70 0.00 0.00 175.22 176.42 3gxz s VAL 81 N -0.45 1.71 0.62 -0.44 -7.23 0.31 -4.89 120.40 110.03 3gxz s VAL 81 Ca 0.20 -2.10 -0.16 0.00 -1.81 0.00 0.00 61.98 58.11 3gxz s VAL 81 Cb -0.14 -1.95 -0.02 0.00 0.56 0.00 0.00 36.38 34.83 3gxz s VAL 81 CO 0.08 -0.52 1.09 -0.44 -0.31 0.00 0.00 175.10 175.01 3gxz s SER 82 N -3.09 5.41 -0.18 4.85 0.01 -1.26 -1.23 113.70 118.21 3gxz s SER 82 Ca 0.20 1.96 -0.28 0.00 1.31 0.00 0.00 55.95 59.14 3gxz s SER 82 Cb -0.02 -2.55 0.08 0.00 0.21 0.00 0.00 66.02 63.74 3gxz s SER 82 CO 0.06 -1.42 0.78 0.28 0.41 0.00 0.00 173.24 173.35 3gxz s THR 83 N -2.31 0.00 0.06 1.44 -1.32 -0.85 -4.86 115.64 107.80 3gxz s THR 83 Ca 0.67 0.00 0.01 0.00 -1.21 0.00 0.00 61.69 61.15 3gxz s THR 83 Cb -0.19 -1.00 -0.03 0.00 -1.51 0.00 0.00 72.50 69.76 3gxz s THR 83 CO 0.38 0.00 -0.05 -0.54 -2.21 0.00 0.00 174.62 172.20 3gxz s LYS 84 N -0.36 0.64 0.01 7.08 1.02 -1.26 -2.07 119.74 124.81 3gxz s LYS 84 Ca -0.04 -1.09 0.01 0.00 0.02 0.00 0.00 55.97 54.88 3gxz s LYS 84 Cb -0.03 -0.07 -0.01 0.00 -0.52 0.00 0.00 37.83 37.20 3gxz s LYS 84 CO 0.03 -0.03 -0.05 -1.50 -0.92 0.00 0.00 175.35 172.88 3gxz s ILE 85 N -2.94 0.34 -0.47 2.17 2.07 -0.36 -5.00 121.20 117.01 3gxz s ILE 85 Ca 0.02 -0.50 -0.25 0.00 -1.41 0.00 0.00 60.65 58.52 3gxz s ILE 85 Cb 0.01 -0.35 0.03 0.00 0.13 0.00 0.00 42.46 42.28 3gxz s ILE 85 CO -0.05 -0.11 0.90 0.21 -1.91 0.00 0.00 174.94 173.99 3gxz s ASN 86 N -0.65 6.46 0.61 4.50 3.84 -1.26 -0.57 114.94 127.87 3gxz s ASN 86 Ca -0.04 -0.00 0.41 0.00 0.21 0.00 0.00 52.86 53.44 3gxz s ASN 86 Cb -0.05 -2.44 2.24 0.00 -0.55 0.00 0.00 41.25 40.45 3gxz s ASN 86 CO -0.00 -1.06 2.26 -0.07 -2.79 0.00 0.00 177.10 175.44 3gxz h LEU 87 N 10.56 0.00 -1.66 3.21 3.38 -0.55 -0.94 115.31 129.31 3gxz h LEU 87 Ca -0.24 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.73 3gxz h LEU 87 Cb 1.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.83 3gxz h LEU 87 CO 1.03 0.00 0.00 0.44 0.09 0.00 0.00 178.44 180.00 3gxz h ASP 88 N 0.00 0.00 -0.12 -0.43 3.32 -1.85 -1.33 116.42 116.01 3gxz h ASP 88 Ca 0.00 0.00 0.04 0.00 0.02 0.00 0.00 57.03 57.09 3gxz h ASP 88 Cb 0.01 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 39.51 3gxz h ASP 88 CO 0.00 0.00 -0.19 0.44 -1.72 0.00 0.00 179.24 177.77 3gxz h ASP 89 N 0.00 -0.58 0.00 6.45 3.32 -1.54 -3.38 116.42 120.70 3gxz h ASP 89 Ca 0.00 0.10 0.00 0.00 0.02 0.00 0.00 57.03 57.15 3gxz h ASP 89 Cb 0.25 0.27 0.00 0.00 0.22 0.00 0.00 39.33 40.07 3gxz h ASP 89 CO 0.00 -0.24 0.00 1.41 -1.72 0.00 0.00 179.24 178.69 3gxz n HIS 90 N -5.33 0.00 -3.31 4.55 8.25 -1.11 -4.98 115.22 113.29 3gxz n HIS 90 Ca -0.03 -0.07 -0.42 0.00 -0.26 0.00 0.00 57.72 56.94 3gxz n HIS 90 Cb 0.24 -0.01 -0.09 0.00 1.12 0.00 0.00 29.99 31.26 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 -0.13 5.07 0.12 1.59 -1.09 -0.52 -1.45 121.20 124.80 3gxz s ILE 91 Ca 0.00 -0.14 0.07 0.00 -2.23 0.00 0.00 60.65 58.35 3gxz s ILE 91 Cb 0.00 -4.00 -0.04 0.00 -1.58 0.00 0.00 42.46 36.84 3gxz s ILE 91 CO 0.00 -0.34 -0.05 0.00 -1.23 0.00 0.00 174.94 173.32 3gxz s ALA 92 N 2.20 3.11 -0.36 9.38 0.00 0.35 -4.72 121.76 131.72 3gxz s ALA 92 Ca 0.14 -1.26 -0.29 0.00 0.00 0.00 0.00 51.96 50.55 3gxz s ALA 92 Cb -0.16 -0.99 0.02 0.00 0.00 0.00 0.00 23.12 21.99 3gxz s ALA 92 CO 0.14 0.60 1.08 1.21 0.00 0.00 0.00 175.76 178.79 3gxz s ASN 93 N -2.48 6.84 -0.73 0.00 2.47 -1.26 -0.80 114.94 118.98 3gxz s ASN 93 Ca 0.24 0.87 -0.03 0.00 0.42 0.00 0.00 52.86 54.37 3gxz s ASN 93 Cb -0.11 -2.54 0.18 0.00 -1.45 0.00 0.00 41.25 37.34 3gxz s ASN 93 CO 0.16 -0.97 0.57 -0.63 -3.72 0.00 0.00 177.10 172.52 3gxz s ILE 94 N 3.83 4.01 -1.08 -5.21 -1.09 0.22 -4.77 121.20 117.11 3gxz s ILE 94 Ca 0.45 -3.28 -0.02 0.00 -2.23 0.00 0.00 60.65 55.57 3gxz s ILE 94 Cb -0.11 -3.56 -0.02 0.00 -1.58 0.00 0.00 42.46 37.19 3gxz s ILE 94 CO 0.19 -0.96 0.91 -0.67 -1.23 0.00 0.00 174.94 173.19 3gxz n ASP 95 N 3.07 -3.56 0.00 3.58 2.03 -1.26 -2.42 116.55 118.00 3gxz n ASP 95 Ca 0.13 -0.61 0.00 0.00 0.52 0.00 0.00 54.79 54.83 3gxz n ASP 95 Cb 0.38 -4.87 0.00 0.00 -0.72 0.00 0.00 41.12 35.91 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 -1.17 2.81 3.69 0.27 0.00 -1.26 -5.04 105.19 104.49 3gxz n GLY 96 Ca -0.20 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.47 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 -2.06 4.53 0.01 2.61 2.01 -1.01 -5.09 115.64 116.63 3gxz s THR 97 Ca 0.00 -0.16 -0.30 0.00 0.31 0.00 0.00 61.69 61.54 3gxz s THR 97 Cb 0.00 -2.94 -0.06 0.00 0.01 0.00 0.00 72.50 69.51 3gxz s THR 97 CO 0.00 0.58 1.45 -0.76 -0.69 0.00 0.00 174.62 175.20 3gxz s LEU 98 N -0.66 4.32 0.05 4.42 1.43 -1.26 0.72 118.68 127.70 3gxz s LEU 98 Ca 0.11 2.17 0.05 0.00 -1.03 0.00 0.00 54.13 55.43 3gxz s LEU 98 Cb -0.12 -3.56 -0.02 0.00 0.03 0.00 0.00 46.19 42.52 3gxz s LEU 98 CO 0.02 -0.76 -0.13 -0.54 0.23 0.00 0.00 176.35 175.18 3gxz s LYS 99 N 2.52 0.84 -0.31 1.70 1.02 0.02 -4.92 119.74 120.61 3gxz s LYS 99 Ca 0.66 -0.78 -0.17 0.00 0.02 0.00 0.00 55.97 55.69 3gxz s LYS 99 Cb -0.33 -0.83 -0.02 0.00 -0.52 0.00 0.00 37.83 36.13 3gxz s LYS 99 CO 0.27 0.20 0.46 -0.47 -0.92 0.00 0.00 175.35 174.90 3gxz s TYR 100 N -0.98 3.22 -2.13 3.18 5.04 -1.26 -0.49 117.35 123.93 3gxz s TYR 100 Ca -0.00 0.32 0.17 0.00 -2.44 0.00 0.00 57.07 55.12 3gxz s TYR 100 Cb -0.08 -2.77 0.13 0.00 0.35 0.00 0.00 41.96 39.60 3gxz s TYR 100 CO 0.01 -0.39 1.04 0.39 -1.34 0.00 0.00 175.55 175.26