#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gxi n LEU 2 N 0.00 0.00 -4.13 0.00 -0.00 -1.26 -5.08 117.00 106.53 1gxi n LEU 2 Ca 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 56.01 55.88 1gxi n LEU 2 Cb 0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 43.42 43.35 1gxi n LEU 2 CO 0.00 0.00 -0.03 0.54 -0.00 0.00 0.00 177.39 177.90 1gxi s ASN 3 N -0.62 0.41 -0.75 1.45 2.20 -1.26 -5.07 114.94 111.30 1gxi s ASN 3 Ca 0.00 -1.32 -0.17 0.00 -0.94 0.00 0.00 52.86 50.43 1gxi s ASN 3 Cb 0.00 0.52 0.15 0.00 -2.00 0.00 0.00 41.25 39.92 1gxi s ASN 3 CO 0.00 -1.05 0.83 0.00 -2.94 0.00 0.00 177.10 173.94 1gxi s ARG 4 N -3.81 3.36 0.00 3.55 3.03 -1.26 -4.15 118.95 119.67 1gxi s ARG 4 Ca 0.33 -1.80 0.00 0.00 2.03 0.00 0.00 55.73 56.29 1gxi s ARG 4 Cb 0.03 -4.49 0.00 0.00 -1.03 0.00 0.00 34.95 29.46 1gxi s ARG 4 CO 0.15 -1.52 0.00 0.41 -1.13 0.00 0.00 175.30 173.20 1gxi n GLY 5 N 4.94 0.93 3.77 3.88 0.00 -1.20 -4.82 105.19 112.68 1gxi n GLY 5 Ca 0.06 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.70 1gxi n GLY 5 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1gxi s ASP 6 N -0.61 6.43 -1.07 1.61 -1.08 -1.26 -4.81 116.67 115.89 1gxi s ASP 6 Ca 0.00 2.41 -0.13 0.00 -0.52 0.00 0.00 52.55 54.31 1gxi s ASP 6 Cb 0.00 -2.62 0.20 0.00 -1.46 0.00 0.00 42.92 39.04 1gxi s ASP 6 CO 0.00 -0.74 1.18 -0.54 0.52 0.00 0.00 175.17 175.59 1gxi s LYS 7 N -2.32 3.95 0.14 4.34 3.01 -1.25 -2.16 119.74 125.45 1gxi s LYS 7 Ca 0.58 -2.58 -0.15 0.00 -1.01 0.00 0.00 55.97 52.80 1gxi s LYS 7 Cb -0.32 -4.79 -0.07 0.00 -1.01 0.00 0.00 37.83 31.63 1gxi s LYS 7 CO 0.41 -1.55 0.57 0.14 0.51 0.00 0.00 175.35 175.42 1gxi s VAL 8 N 0.78 4.82 -0.24 3.17 -7.23 -0.72 -2.90 120.40 118.09 1gxi s VAL 8 Ca 0.33 0.91 -0.08 0.00 -1.81 0.00 0.00 61.98 61.33 1gxi s VAL 8 Cb -0.06 -3.76 -0.04 0.00 0.56 0.00 0.00 36.38 33.08 1gxi s VAL 8 CO -0.06 0.28 0.10 -0.60 -0.31 0.00 0.00 175.10 174.51 1gxi s ARG 9 N -1.86 3.81 -0.05 4.82 3.52 0.13 -2.28 118.95 127.04 1gxi s ARG 9 Ca 0.37 -0.40 -0.30 0.00 -0.13 0.00 0.00 55.73 55.27 1gxi s ARG 9 Cb -0.16 -3.37 -0.05 0.00 -1.56 0.00 0.00 34.95 29.81 1gxi s ARG 9 CO 0.19 -0.06 1.60 0.42 -0.81 0.00 0.00 175.30 176.64 1gxi s ILE 10 N 1.31 3.60 -0.43 4.11 -1.09 0.45 -1.20 121.20 127.96 1gxi s ILE 10 Ca 0.06 0.79 0.09 0.00 -2.23 0.00 0.00 60.65 59.35 1gxi s ILE 10 Cb -0.15 -3.51 0.41 0.00 -1.58 0.00 0.00 42.46 37.63 1gxi s ILE 10 CO 0.05 -0.06 1.00 0.29 -1.23 0.00 0.00 174.94 174.99 1gxi n LYS 11 N 6.79 2.58 0.00 2.79 5.02 0.26 -2.65 118.16 132.95 1gxi n LYS 11 Ca 0.16 -4.15 0.00 0.00 -2.02 0.00 0.00 58.31 52.30 1gxi n LYS 11 Cb 0.43 -1.94 0.00 0.00 -0.02 0.00 0.00 35.03 33.50 1gxi n LYS 11 CO 0.00 0.00 0.00 2.89 -0.52 0.00 0.00 177.40 179.77 1gxi n ARG 12 N -0.26 2.99 0.20 1.97 1.85 -1.18 -4.63 116.66 117.61 1gxi n ARG 12 Ca 0.29 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 57.14 1gxi n ARG 12 Cb 0.65 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 32.06 1gxi n ARG 12 CO 0.00 0.00 0.00 2.41 -0.01 0.00 0.00 177.63 180.03 1gxi n THR 13 N 0.00 0.00 -1.32 8.89 -1.04 -1.26 -4.96 114.28 114.59 1gxi n THR 13 Ca 0.00 0.00 -0.39 0.00 -2.04 0.00 0.00 64.05 61.62 1gxi n THR 13 Cb 0.00 -0.17 -0.03 0.00 -1.82 0.00 0.00 70.33 68.31 1gxi n THR 13 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1gxi n GLU 14 N -3.46 2.34 -3.45 -2.82 4.71 -1.26 -4.82 120.64 111.89 1gxi n GLU 14 Ca 0.00 -2.11 -0.11 0.00 -0.01 0.00 0.00 57.16 54.93 1gxi n GLU 14 Cb 0.00 -2.97 -0.02 0.00 -1.01 0.00 0.00 31.44 27.44 1gxi n GLU 14 CO 0.00 0.00 0.00 0.45 0.09 0.00 0.00 177.13 177.67 1gxi s SER 15 N 3.77 -0.51 0.25 1.62 0.15 -1.26 -5.04 113.70 112.69 1gxi s SER 15 Ca 0.53 0.02 0.13 0.00 0.70 0.00 0.00 55.95 57.33 1gxi s SER 15 Cb 0.14 0.53 0.17 0.00 -1.71 0.00 0.00 66.02 65.16 1gxi s SER 15 CO -0.00 -0.86 1.49 0.22 1.20 0.00 0.00 173.24 175.29 1gxi h TYR 16 N 2.03 0.00 -0.42 3.44 3.20 -1.96 -3.22 116.97 120.04 1gxi h TYR 16 Ca -0.30 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.57 1gxi h TYR 16 Cb 1.29 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.56 1gxi h TYR 16 CO 0.24 0.63 0.00 0.91 -1.64 0.00 0.00 178.16 178.31 1gxi n TRP 17 N -3.42 1.29 -2.34 -3.82 8.01 -1.26 -4.91 117.44 110.99 1gxi n TRP 17 Ca 0.00 -0.47 -0.43 0.00 -1.31 0.00 0.00 57.50 55.30 1gxi n TRP 17 Cb 0.72 -0.31 -0.02 0.00 -2.01 0.00 0.00 31.31 29.69 1gxi n TRP 17 CO 0.00 0.00 0.00 -0.47 -1.01 0.00 0.00 177.69 176.21 1gxi s TYR 18 N -2.04 2.45 0.00 -5.99 5.04 -1.22 -3.04 117.35 112.56 1gxi s TYR 18 Ca 0.37 0.73 0.00 0.00 -2.44 0.00 0.00 57.07 55.73 1gxi s TYR 18 Cb 0.27 -4.14 0.00 0.00 0.35 0.00 0.00 41.96 38.44 1gxi s TYR 18 CO 0.13 -2.00 0.00 0.41 -1.34 0.00 0.00 175.55 172.76 1gxi n GLY 19 N 4.79 1.32 3.86 8.97 0.00 -1.08 -5.08 105.19 117.97 1gxi n GLY 19 Ca 0.16 -0.22 -0.21 0.00 0.00 0.00 0.00 46.02 45.75 1gxi n GLY 19 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1gxi s ASP 20 N -2.27 5.43 0.11 1.61 2.15 -1.17 -4.93 116.67 117.59 1gxi s ASP 20 Ca 0.00 -0.40 0.10 0.00 0.43 0.00 0.00 52.55 52.67 1gxi s ASP 20 Cb 0.00 -1.11 -0.04 0.00 -0.30 0.00 0.00 42.92 41.47 1gxi s ASP 20 CO 0.00 -0.29 -0.24 -0.69 -0.17 0.00 0.00 175.17 173.78 1gxi s VAL 21 N -2.25 2.01 -0.01 1.11 1.01 -1.26 -0.41 120.40 120.60 1gxi s VAL 21 Ca 0.39 -1.63 -0.28 0.00 0.00 0.00 0.00 61.98 60.46 1gxi s VAL 21 Cb -0.07 -1.79 0.10 0.00 0.00 0.00 0.00 36.38 34.62 1gxi s VAL 21 CO 0.27 0.05 1.27 -0.83 0.00 0.00 0.00 175.10 175.86 1gxi s GLY 22 N -1.92 -0.15 -0.24 4.51 0.00 -0.96 -4.87 107.32 103.69 1gxi s GLY 22 Ca 0.11 0.09 -0.20 0.00 0.00 0.00 0.00 44.72 44.72 1gxi s GLY 22 CO 0.05 4.77 0.61 -1.59 0.00 0.00 0.00 173.10 176.94 1gxi s THR 23 N -2.08 5.01 -0.95 0.90 2.01 -1.25 -1.76 115.64 117.52 1gxi s THR 23 Ca 0.27 1.10 -0.24 0.00 0.31 0.00 0.00 61.69 63.13 1gxi s THR 23 Cb 0.00 -3.92 0.03 0.00 0.01 0.00 0.00 72.50 68.62 1gxi s THR 23 CO -0.01 0.06 1.54 0.54 -0.69 0.00 0.00 174.62 176.07 1gxi s VAL 24 N 2.31 3.78 -0.73 3.82 0.11 -0.92 -1.77 120.40 127.00 1gxi s VAL 24 Ca 0.26 -0.51 -0.05 0.00 -2.93 0.00 0.00 61.98 58.75 1gxi s VAL 24 Cb -0.16 -4.79 0.00 0.00 -1.53 0.00 0.00 36.38 29.91 1gxi s VAL 24 CO 0.09 -1.69 2.84 0.00 -3.33 0.00 0.00 175.10 173.00 1gxi n ALA 25 N 10.11 6.65 -0.07 1.54 0.00 0.23 -3.28 120.51 135.70 1gxi n ALA 25 Ca 0.30 -3.17 -0.04 0.00 0.00 0.00 0.00 53.44 50.54 1gxi n ALA 25 Cb 0.50 -2.47 -0.01 0.00 0.00 0.00 0.00 19.45 17.46 1gxi n ALA 25 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1gxi h SER 26 N 3.64 0.00 -0.53 0.00 0.02 -1.82 -3.42 113.55 111.43 1gxi h SER 26 Ca 0.49 -0.01 -0.71 0.00 -0.84 0.00 0.00 61.79 60.72 1gxi h SER 26 Cb 0.70 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 63.19 1gxi h SER 26 CO 1.02 0.70 3.08 0.52 -1.14 0.00 0.00 176.83 181.01 1gxi n VAL 27 N -4.65 4.50 0.07 2.27 0.31 -1.26 0.40 118.33 119.96 1gxi n VAL 27 Ca -0.06 -3.42 0.00 0.00 -0.01 0.00 0.00 64.34 60.85 1gxi n VAL 27 Cb 0.21 -2.41 0.00 0.00 -0.91 0.00 0.00 33.84 30.73 1gxi n VAL 27 CO 0.00 0.00 0.00 -1.84 -1.32 0.00 0.00 176.83 173.67 1gxi n GLU 28 N 3.38 0.00 -0.09 5.55 0.28 -1.26 -4.94 120.64 123.56 1gxi n GLU 28 Ca 0.65 0.00 0.06 0.00 -0.16 0.00 0.00 57.16 57.71 1gxi n GLU 28 Cb 0.27 0.00 0.10 0.00 1.43 0.00 0.00 31.44 33.25 1gxi n GLU 28 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 1gxi n LYS 29 N -2.85 1.75 0.30 3.44 4.76 -0.62 -4.80 118.16 120.14 1gxi n LYS 29 Ca 0.00 -1.64 0.11 0.00 -2.87 0.00 0.00 58.31 53.92 1gxi n LYS 29 Cb 0.00 -1.25 0.60 0.00 -1.84 0.00 0.00 35.03 32.54 1gxi n LYS 29 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 1gxi h SER 30 N 2.20 0.00 0.00 4.39 0.87 -0.32 -3.36 113.55 117.33 1gxi h SER 30 Ca 0.00 0.00 -0.04 0.00 -1.23 0.00 0.00 61.79 60.52 1gxi h SER 30 Cb 0.61 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.56 1gxi h SER 30 CO 0.00 0.00 0.03 0.61 -0.53 0.00 0.00 176.83 176.94 1gxi n GLY 31 N -1.27 1.65 0.00 5.77 0.00 -1.26 -4.50 105.19 105.58 1gxi n GLY 31 Ca -0.01 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.78 1gxi n GLY 31 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1gxi n ILE 32 N 2.15 0.00 0.25 -0.61 5.41 -1.26 -5.08 119.36 120.22 1gxi n ILE 32 Ca 0.08 0.00 0.13 0.00 1.00 0.00 0.00 62.75 63.96 1gxi n ILE 32 Cb 0.32 0.00 0.60 0.00 -0.71 0.00 0.00 39.64 39.84 1gxi n ILE 32 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 176.55 176.80 1gxi h LEU 33 N 0.00 0.00 -7.58 1.39 5.85 -1.96 -3.42 115.31 109.59 1gxi h LEU 33 Ca 0.00 0.00 -0.36 0.00 0.84 0.00 0.00 57.88 58.36 1gxi h LEU 33 Cb 0.00 0.00 -0.35 0.00 0.37 0.00 0.00 40.66 40.68 1gxi h LEU 33 CO 0.00 0.13 -0.75 -0.31 -0.34 0.00 0.00 178.44 177.16 1gxi s TYR 34 N -3.74 0.39 -0.04 1.25 1.51 -1.26 -5.07 117.35 110.37 1gxi s TYR 34 Ca 0.00 -0.02 -0.18 0.00 -1.01 0.00 0.00 57.07 55.86 1gxi s TYR 34 Cb 0.10 -0.49 -0.31 0.00 -0.11 0.00 0.00 41.96 41.15 1gxi s TYR 34 CO 0.59 -0.17 0.80 -1.00 -1.11 0.00 0.00 175.55 174.66 1gxi h PRO 35 N 7.48 0.36 -5.94 -1.71 0.13 -1.78 -3.44 132.00 127.10 1gxi h PRO 35 Ca -0.37 -0.61 -0.59 0.00 -0.87 0.00 0.00 66.00 63.57 1gxi h PRO 35 Cb 1.13 0.23 -0.11 0.00 0.13 0.00 0.00 31.00 32.38 1gxi h PRO 35 CO 0.42 1.29 0.77 0.08 -0.23 0.00 0.00 178.00 180.33 1gxi s VAL 36 N -2.50 4.09 -1.06 1.56 1.01 -1.05 -4.62 120.40 117.82 1gxi s VAL 36 Ca -0.14 0.12 -0.08 0.00 0.00 0.00 0.00 61.98 61.87 1gxi s VAL 36 Cb 0.03 -4.75 0.26 0.00 0.00 0.00 0.00 36.38 31.92 1gxi s VAL 36 CO 0.84 -1.55 1.03 -0.63 0.00 0.00 0.00 175.10 174.80 1gxi s ILE 37 N 4.74 5.72 0.53 2.22 1.01 -1.26 0.20 121.20 134.36 1gxi s ILE 37 Ca 0.30 -3.42 -0.03 0.00 0.00 0.00 0.00 60.65 57.49 1gxi s ILE 37 Cb -0.12 -4.45 0.00 0.00 0.01 0.00 0.00 42.46 37.90 1gxi s ILE 37 CO 0.15 -1.16 0.81 -0.69 0.00 0.00 0.00 174.94 174.04 1gxi s VAL 38 N -1.17 3.76 0.24 2.92 1.01 -0.96 0.76 120.40 126.96 1gxi s VAL 38 Ca 0.29 -0.21 -0.26 0.00 0.00 0.00 0.00 61.98 61.80 1gxi s VAL 38 Cb -0.10 -3.45 -0.09 0.00 0.00 0.00 0.00 36.38 32.75 1gxi s VAL 38 CO -0.09 -0.40 0.85 -0.13 0.00 0.00 0.00 175.10 175.34 1gxi s ARG 39 N -4.81 4.59 -0.01 2.72 1.81 -0.73 -3.10 118.95 119.41 1gxi s ARG 39 Ca 0.52 1.23 0.03 0.00 -1.72 0.00 0.00 55.73 55.79 1gxi s ARG 39 Cb -0.10 -3.07 -0.00 0.00 -0.45 0.00 0.00 34.95 31.33 1gxi s ARG 39 CO 0.42 0.45 -0.10 -0.06 -0.68 0.00 0.00 175.30 175.33 1gxi s PHE 40 N -1.36 0.94 -0.22 -0.53 0.08 -0.82 -4.46 117.98 111.61 1gxi s PHE 40 Ca 0.42 -0.20 0.10 0.00 0.12 0.00 0.00 56.93 57.37 1gxi s PHE 40 Cb -0.21 -0.62 -0.20 0.00 -0.57 0.00 0.00 43.02 41.41 1gxi s PHE 40 CO 0.26 -0.04 -0.07 -0.40 -0.10 0.00 0.00 175.22 174.87 1gxi n ASP 41 N 2.98 1.16 -2.17 1.36 5.75 -1.26 -4.75 116.55 119.61 1gxi n ASP 41 Ca -0.15 -0.06 -0.17 0.00 -0.01 0.00 0.00 54.79 54.39 1gxi n ASP 41 Cb 0.56 0.32 -0.13 0.00 -1.03 0.00 0.00 41.12 40.84 1gxi n ASP 41 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1gxi n ARG 42 N -2.95 2.14 -3.85 0.11 1.74 -1.26 -4.90 116.66 107.68 1gxi n ARG 42 Ca -0.37 -1.48 -0.30 0.00 -0.77 0.00 0.00 57.85 54.93 1gxi n ARG 42 Cb 1.04 -2.04 -0.04 0.00 -1.02 0.00 0.00 32.46 30.40 1gxi n ARG 42 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1gxi s VAL 43 N -0.20 5.31 -2.20 1.55 0.11 -1.26 -4.91 120.40 118.81 1gxi s VAL 43 Ca 0.63 -0.37 0.18 0.00 -2.93 0.00 0.00 61.98 59.50 1gxi s VAL 43 Cb 0.34 -3.66 0.42 0.00 -1.53 0.00 0.00 36.38 31.95 1gxi s VAL 43 CO -0.08 0.04 1.48 0.59 -3.33 0.00 0.00 175.10 173.80 1gxi n ASN 44 N -0.02 1.62 0.00 3.54 3.02 -1.15 -4.96 115.26 117.31 1gxi n ASN 44 Ca -0.05 -1.76 0.00 0.00 -0.03 0.00 0.00 54.58 52.74 1gxi n ASN 44 Cb 0.52 -0.13 0.00 0.00 -0.61 0.00 0.00 39.78 39.56 1gxi n ASN 44 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1gxi n TYR 45 N 0.31 0.00 -3.66 3.10 4.01 -1.26 -4.81 117.16 114.85 1gxi n TYR 45 Ca 0.15 0.00 -0.37 0.00 -0.16 0.00 0.00 57.90 57.52 1gxi n TYR 45 Cb 0.31 0.00 -0.11 0.00 -0.31 0.00 0.00 39.34 39.22 1gxi n TYR 45 CO 0.00 0.00 0.00 -0.80 -0.46 0.00 0.00 176.86 175.60 1gxi s ASN 46 N 0.00 5.73 -0.20 7.72 0.01 -1.26 -4.85 114.94 122.09 1gxi s ASN 46 Ca 0.00 -0.06 0.04 0.00 -0.71 0.00 0.00 52.86 52.13 1gxi s ASN 46 Cb 0.00 -2.05 0.37 0.00 0.41 0.00 0.00 41.25 39.98 1gxi s ASN 46 CO 0.00 -0.03 1.38 0.61 -1.51 0.00 0.00 177.10 177.55 1gxi n GLY 47 N 4.90 3.00 0.00 0.66 0.00 -1.26 -4.02 105.19 108.47 1gxi n GLY 47 Ca -0.15 -0.54 0.01 0.00 0.00 0.00 0.00 46.02 45.34 1gxi n GLY 47 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1gxi n PHE 48 N -0.16 0.00 0.80 1.61 3.72 -1.26 -4.63 117.46 117.54 1gxi n PHE 48 Ca 0.26 0.00 0.10 0.00 -0.05 0.00 0.00 57.45 57.76 1gxi n PHE 48 Cb 1.00 -0.09 0.08 0.00 -0.94 0.00 0.00 39.48 39.53 1gxi n PHE 48 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1gxi n SER 49 N -1.72 2.60 0.00 4.37 2.88 -1.26 -5.04 113.62 115.45 1gxi n SER 49 Ca -0.02 -1.80 0.00 0.00 -1.33 0.00 0.00 58.87 55.73 1gxi n SER 49 Cb 0.19 -0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.65 1gxi n SER 49 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1gxi n GLY 50 N 1.08 -0.14 3.52 0.46 0.00 -1.26 -5.14 105.19 103.71 1gxi n GLY 50 Ca 0.11 -0.24 -0.09 0.00 0.00 0.00 0.00 46.02 45.80 1gxi n GLY 50 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1gxi s SER 51 N -4.00 -0.16 0.01 1.61 0.15 -1.26 -4.60 113.70 105.46 1gxi s SER 51 Ca 0.00 -0.67 -0.25 0.00 0.70 0.00 0.00 55.95 55.73 1gxi s SER 51 Cb 0.00 0.56 -0.17 0.00 -1.71 0.00 0.00 66.02 64.70 1gxi s SER 51 CO 0.00 -1.06 1.30 0.00 1.20 0.00 0.00 173.24 174.69 1gxi h ALA 52 N 2.27 -0.29 0.00 5.45 0.00 -1.87 -3.43 119.26 121.39 1gxi h ALA 52 Ca -0.28 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1gxi h ALA 52 Cb 1.25 0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.15 1gxi h ALA 52 CO 0.38 -0.50 0.00 0.45 0.00 0.00 0.00 179.25 179.59 1gxi n SER 53 N -5.07 0.00 -1.34 0.00 2.88 -1.26 -2.92 113.62 105.90 1gxi n SER 53 Ca -0.09 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.45 1gxi n SER 53 Cb 0.24 -0.22 0.00 0.00 -0.75 0.00 0.00 64.21 63.48 1gxi n SER 53 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1gxi n GLY 54 N -1.17 4.15 3.29 0.46 0.00 -1.26 -5.10 105.19 105.55 1gxi n GLY 54 Ca 0.00 -2.13 -0.18 0.00 0.00 0.00 0.00 46.02 43.71 1gxi n GLY 54 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1gxi s VAL 55 N 0.26 0.10 -0.16 1.61 1.01 -1.26 -5.02 120.40 116.93 1gxi s VAL 55 Ca 0.00 -2.00 0.08 0.00 0.00 0.00 0.00 61.98 60.06 1gxi s VAL 55 Cb 0.00 -2.49 -0.15 0.00 0.00 0.00 0.00 36.38 33.73 1gxi s VAL 55 CO 0.00 0.00 -0.04 0.59 0.00 0.00 0.00 175.10 175.65 1gxi n ASN 56 N -1.10 1.90 -4.17 3.32 4.13 -1.26 -4.75 115.26 113.33 1gxi n ASN 56 Ca 0.04 -0.04 -0.31 0.00 1.68 0.00 0.00 54.58 55.95 1gxi n ASN 56 Cb 0.64 0.39 -0.17 0.00 -1.54 0.00 0.00 39.78 39.10 1gxi n ASN 56 CO 0.00 0.00 0.00 0.42 0.28 0.00 0.00 177.26 177.96 1gxi s THR 57 N -2.36 1.89 -0.20 3.41 -4.23 -1.26 -1.94 115.64 110.95 1gxi s THR 57 Ca -0.14 -0.91 -0.12 0.00 -1.18 0.00 0.00 61.69 59.34 1gxi s THR 57 Cb 0.05 -1.65 0.06 0.00 1.34 0.00 0.00 72.50 72.30 1gxi s THR 57 CO 0.52 0.52 0.49 0.21 -0.54 0.00 0.00 174.62 175.82 1gxi s ASN 58 N 0.54 -0.61 -0.46 3.99 2.47 -1.18 -4.99 114.94 114.70 1gxi s ASN 58 Ca -0.15 1.04 -0.29 0.00 0.42 0.00 0.00 52.86 53.89 1gxi s ASN 58 Cb -0.17 0.95 0.03 0.00 -1.45 0.00 0.00 41.25 40.61 1gxi s ASN 58 CO 0.05 -0.20 1.10 0.20 -3.72 0.00 0.00 177.10 174.54 1gxi s ASN 59 N 1.22 6.65 0.55 -4.21 -0.87 -1.25 -2.27 114.94 114.75 1gxi s ASN 59 Ca -0.08 0.49 0.03 0.00 -1.57 0.00 0.00 52.86 51.73 1gxi s ASN 59 Cb -0.07 -2.54 0.03 0.00 -0.02 0.00 0.00 41.25 38.65 1gxi s ASN 59 CO -0.12 -1.18 0.24 -0.36 -2.57 0.00 0.00 177.10 173.11 1gxi s PHE 60 N 4.27 1.59 -0.28 2.20 0.08 0.13 -4.92 117.98 121.05 1gxi s PHE 60 Ca 0.46 -0.94 0.01 0.00 0.12 0.00 0.00 56.93 56.58 1gxi s PHE 60 Cb -0.08 -1.75 0.06 0.00 -0.57 0.00 0.00 43.02 40.67 1gxi s PHE 60 CO 0.29 -0.22 -0.06 0.00 -0.10 0.00 0.00 175.22 175.13 1gxi s ALA 61 N -2.85 2.69 0.00 5.36 0.00 -1.26 -2.54 121.76 123.16 1gxi s ALA 61 Ca 0.18 -1.81 0.00 0.00 0.00 0.00 0.00 51.96 50.33 1gxi s ALA 61 Cb -0.01 -1.75 0.00 0.00 0.00 0.00 0.00 23.12 21.35 1gxi s ALA 61 CO 0.12 -1.26 0.00 0.39 0.00 0.00 0.00 175.76 175.01 1gxi n GLU 62 N 4.50 0.00 -0.13 0.00 1.02 -1.26 0.03 120.64 124.80 1gxi n GLU 62 Ca -0.13 0.00 -0.24 0.00 -0.02 0.00 0.00 57.16 56.77 1gxi n GLU 62 Cb 0.43 0.00 -0.11 0.00 -0.02 0.00 0.00 31.44 31.73 1gxi n GLU 62 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 1gxi n ASN 63 N 0.00 1.97 -1.02 1.62 4.05 -1.26 -4.53 115.26 116.09 1gxi n ASN 63 Ca 0.00 0.12 0.03 0.00 0.45 0.00 0.00 54.58 55.19 1gxi n ASN 63 Cb 0.00 -0.64 0.17 0.00 1.23 0.00 0.00 39.78 40.54 1gxi n ASN 63 CO 0.00 0.00 0.00 -1.84 -3.05 0.00 0.00 177.26 172.37 1gxi n GLU 64 N -3.78 2.55 -4.18 1.20 0.28 0.10 -4.66 120.64 112.15 1gxi n GLU 64 Ca -0.49 -1.34 -0.13 0.00 -0.16 0.00 0.00 57.16 55.04 1gxi n GLU 64 Cb 0.93 -1.74 -0.10 0.00 1.43 0.00 0.00 31.44 31.96 1gxi n GLU 64 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 1gxi s LEU 65 N -1.17 2.46 0.03 -1.84 2.01 -1.26 0.91 118.68 119.82 1gxi s LEU 65 Ca 0.24 -0.91 0.01 0.00 0.01 0.00 0.00 54.13 53.48 1gxi s LEU 65 Cb 0.17 -0.20 -0.02 0.00 0.01 0.00 0.00 46.19 46.15 1gxi s LEU 65 CO 0.08 -0.36 -0.06 -1.61 1.01 0.00 0.00 176.35 175.42 1gxi s GLU 66 N -3.30 0.44 0.20 1.70 0.41 -0.34 -4.84 118.70 112.96 1gxi s GLU 66 Ca 0.09 -0.66 -0.10 0.00 -0.41 0.00 0.00 54.97 53.89 1gxi s GLU 66 Cb 0.01 -0.16 -0.07 0.00 -1.78 0.00 0.00 34.13 32.13 1gxi s GLU 66 CO -0.02 0.02 0.52 -0.48 -0.49 0.00 0.00 175.26 174.81 1gxi s LEU 67 N -1.43 4.21 -0.10 1.80 2.34 -1.26 0.17 118.68 124.41 1gxi s LEU 67 Ca -0.11 0.89 0.02 0.00 0.06 0.00 0.00 54.13 55.00 1gxi s LEU 67 Cb -0.09 -3.54 -0.08 0.00 -0.56 0.00 0.00 46.19 41.92 1gxi s LEU 67 CO -0.00 -0.02 -0.06 0.52 -1.06 0.00 0.00 176.35 175.73 1gxi n VAL 68 N 0.08 0.58 -4.02 1.48 0.31 -1.14 -4.92 118.33 110.70 1gxi n VAL 68 Ca -0.01 -0.25 -0.27 0.00 -0.01 0.00 0.00 64.34 63.79 1gxi n VAL 68 Cb 0.52 -0.84 -0.05 0.00 -0.91 0.00 0.00 33.84 32.56 1gxi n VAL 68 CO 0.00 0.00 0.00 -1.10 -1.32 0.00 0.00 176.83 174.41 1gxi s GLN 69 N -2.20 3.11 -0.94 5.55 -0.21 -1.25 -5.00 119.66 118.71 1gxi s GLN 69 Ca -0.11 -0.72 -0.01 0.00 0.02 0.00 0.00 55.36 54.54 1gxi s GLN 69 Cb 0.03 -2.79 0.30 0.00 1.00 0.00 0.00 33.01 31.55 1gxi s GLN 69 CO 0.26 0.52 1.30 0.00 -2.12 0.00 0.00 175.29 175.24 1gxi n ALA 70 N -0.24 4.95 -1.90 6.09 0.00 -1.26 -4.82 120.51 123.34 1gxi n ALA 70 Ca -0.08 -4.78 -0.41 0.00 0.00 0.00 0.00 53.44 48.18 1gxi n ALA 70 Cb 0.54 -1.88 -0.02 0.00 0.00 0.00 0.00 19.45 18.09 1gxi n ALA 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1gxi n ALA 71 N 0.99 3.97 -2.89 0.00 0.00 -1.26 -4.87 120.51 116.45 1gxi n ALA 71 Ca 0.29 -3.63 -0.44 0.00 0.00 0.00 0.00 53.44 49.67 1gxi n ALA 71 Cb 0.35 -3.57 -0.00 0.00 0.00 0.00 0.00 19.45 16.23 1gxi n ALA 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1gxi s ALA 72 N 5.03 3.89 -2.42 0.00 0.00 -1.26 -4.21 121.76 122.79 1gxi s ALA 72 Ca 0.54 -3.29 0.29 0.00 0.00 0.00 0.00 51.96 49.50 1gxi s ALA 72 Cb 0.09 -4.21 1.19 0.00 0.00 0.00 0.00 23.12 20.19 1gxi s ALA 72 CO 0.04 -2.86 1.83 1.17 0.00 0.00 0.00 175.76 175.93