#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gpx s LYS 2 N 0.00 4.14 0.03 1.43 2.20 -1.25 0.43 119.74 126.72 1gpx s LYS 2 Ca 0.00 0.51 0.08 0.00 -0.36 0.00 0.00 55.97 56.20 1gpx s LYS 2 Cb 0.00 -3.62 -0.02 0.00 -1.51 0.00 0.00 37.83 32.68 1gpx s LYS 2 CO 0.00 -0.32 -0.23 0.08 -0.36 0.00 0.00 175.35 174.52 1gpx s VAL 3 N 2.21 1.86 -0.10 4.02 1.01 -0.59 0.75 120.40 129.55 1gpx s VAL 3 Ca 0.26 -1.22 0.00 0.00 0.00 0.00 0.00 61.98 61.02 1gpx s VAL 3 Cb -0.16 -1.59 0.02 0.00 0.00 0.00 0.00 36.38 34.65 1gpx s VAL 3 CO 0.09 0.33 -0.08 -0.69 0.00 0.00 0.00 175.10 174.75 1gpx s VAL 4 N -0.74 0.96 -0.03 2.92 1.01 -0.65 0.41 120.40 124.28 1gpx s VAL 4 Ca 0.09 -0.28 -0.09 0.00 0.00 0.00 0.00 61.98 61.70 1gpx s VAL 4 Cb -0.09 -0.97 -0.05 0.00 0.00 0.00 0.00 36.38 35.27 1gpx s VAL 4 CO 0.01 0.35 0.27 -0.31 0.00 0.00 0.00 175.10 175.43 1gpx s TYR 5 N 1.46 3.62 -0.26 5.22 2.02 0.80 -0.26 117.35 129.95 1gpx s TYR 5 Ca -0.00 0.68 -0.03 0.00 -0.37 0.00 0.00 57.07 57.35 1gpx s TYR 5 Cb -0.13 -2.06 0.02 0.00 -0.40 0.00 0.00 41.96 39.39 1gpx s TYR 5 CO -0.05 0.65 -0.02 0.08 -1.57 0.00 0.00 175.55 174.64 1gpx s VAL 6 N -1.17 3.15 -0.12 0.71 1.01 0.55 0.24 120.40 124.77 1gpx s VAL 6 Ca 0.23 -0.97 -0.29 0.00 0.00 0.00 0.00 61.98 60.94 1gpx s VAL 6 Cb -0.14 -2.62 -0.01 0.00 0.00 0.00 0.00 36.38 33.61 1gpx s VAL 6 CO 0.12 0.14 1.03 -0.55 0.00 0.00 0.00 175.10 175.84 1gpx s SER 7 N 1.36 7.21 0.35 3.32 0.15 0.27 0.47 113.70 126.82 1gpx s SER 7 Ca 0.00 1.53 0.31 0.00 0.70 0.00 0.00 55.95 58.49 1gpx s SER 7 Cb -0.17 -2.55 1.05 0.00 -1.71 0.00 0.00 66.02 62.63 1gpx s SER 7 CO -0.02 -0.49 0.96 0.00 1.20 0.00 0.00 173.24 174.88 1gpx n HIS 8 N 5.23 0.00 0.37 3.44 1.44 -1.20 0.28 115.22 124.77 1gpx n HIS 8 Ca 0.09 0.00 0.05 0.00 -2.01 0.00 0.00 57.72 55.85 1gpx n HIS 8 Cb 0.48 -0.30 0.22 0.00 0.12 0.00 0.00 29.99 30.51 1gpx n HIS 8 CO 0.00 0.00 0.00 -0.40 -2.81 0.00 0.00 176.34 173.13 1gpx n ASP 9 N -3.15 0.00 0.00 4.39 5.75 -1.26 -4.83 116.55 117.46 1gpx n ASP 9 Ca 0.27 0.46 0.00 0.00 -0.01 0.00 0.00 54.79 55.51 1gpx n ASP 9 Cb 1.24 -0.48 0.00 0.00 -1.03 0.00 0.00 41.12 40.86 1gpx n ASP 9 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1gpx n GLY 10 N -0.44 1.94 3.74 6.12 0.00 0.80 -5.06 105.19 112.29 1gpx n GLY 10 Ca 0.03 -0.18 -0.42 0.00 0.00 0.00 0.00 46.02 45.46 1gpx n GLY 10 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1gpx s THR 11 N -1.74 2.20 -0.09 2.61 -1.32 -1.21 -4.64 115.64 111.45 1gpx s THR 11 Ca 0.00 0.16 0.04 0.00 -1.21 0.00 0.00 61.69 60.68 1gpx s THR 11 Cb 0.00 -3.10 -0.01 0.00 -1.51 0.00 0.00 72.50 67.88 1gpx s THR 11 CO 0.00 0.02 -0.22 -0.13 -2.21 0.00 0.00 174.62 172.09 1gpx s ARG 12 N 0.01 2.92 0.06 7.08 0.52 -1.26 0.93 118.95 129.21 1gpx s ARG 12 Ca 0.66 -0.84 0.01 0.00 -0.52 0.00 0.00 55.73 55.04 1gpx s ARG 12 Cb -0.47 -2.32 -0.04 0.00 0.52 0.00 0.00 34.95 32.64 1gpx s ARG 12 CO 0.42 0.28 0.13 0.50 0.02 0.00 0.00 175.30 176.65 1gpx s ARG 13 N 0.12 3.14 -0.11 3.54 3.52 0.65 -4.85 118.95 124.96 1gpx s ARG 13 Ca -0.11 -0.55 -0.01 0.00 -0.13 0.00 0.00 55.73 54.94 1gpx s ARG 13 Cb -0.16 -2.88 0.03 0.00 -1.56 0.00 0.00 34.95 30.38 1gpx s ARG 13 CO 0.06 0.60 -0.06 -1.21 -0.81 0.00 0.00 175.30 173.88 1gpx s GLU 14 N -2.32 1.39 0.51 5.12 2.02 -1.26 0.28 118.70 124.44 1gpx s GLU 14 Ca 0.30 -0.20 0.03 0.00 0.02 0.00 0.00 54.97 55.12 1gpx s GLU 14 Cb -0.12 -1.49 -0.00 0.00 0.10 0.00 0.00 34.13 32.61 1gpx s GLU 14 CO 0.23 -0.27 0.12 -0.51 0.02 0.00 0.00 175.26 174.85 1gpx s LEU 15 N 1.74 2.47 -0.90 1.80 1.02 0.17 -4.96 118.68 120.01 1gpx s LEU 15 Ca 0.05 -1.50 -0.05 0.00 0.02 0.00 0.00 54.13 52.64 1gpx s LEU 15 Cb -0.13 -0.90 0.23 0.00 0.02 0.00 0.00 46.19 45.41 1gpx s LEU 15 CO -0.08 -0.89 0.81 -1.81 0.02 0.00 0.00 176.35 174.41 1gpx s ASP 16 N -3.98 6.32 -0.19 2.29 1.11 -1.26 -1.55 116.67 119.41 1gpx s ASP 16 Ca 0.17 -3.43 -0.12 0.00 0.18 0.00 0.00 52.55 49.36 1gpx s ASP 16 Cb 0.01 -2.02 -0.05 0.00 1.07 0.00 0.00 42.92 41.93 1gpx s ASP 16 CO 0.10 -0.29 0.20 -0.69 1.18 0.00 0.00 175.17 175.66 1gpx s VAL 17 N -0.94 5.36 0.05 -1.27 1.01 0.17 -4.74 120.40 120.04 1gpx s VAL 17 Ca 0.25 0.33 0.01 0.00 0.00 0.00 0.00 61.98 62.57 1gpx s VAL 17 Cb -0.10 -3.54 -0.00 0.00 0.00 0.00 0.00 36.38 32.74 1gpx s VAL 17 CO -0.09 0.40 0.04 0.00 0.00 0.00 0.00 175.10 175.45 1gpx n ALA 18 N 3.67 0.11 -1.53 5.51 0.00 -1.26 0.26 120.51 127.27 1gpx n ALA 18 Ca -0.14 -0.29 -0.63 0.00 0.00 0.00 0.00 53.44 52.37 1gpx n ALA 18 Cb 0.52 0.24 -0.10 0.00 0.00 0.00 0.00 19.45 20.10 1gpx n ALA 18 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1gpx n ASP 19 N -2.80 1.17 0.00 0.00 5.68 0.71 0.80 116.55 122.10 1gpx n ASP 19 Ca 0.01 0.93 0.00 0.00 -0.50 0.00 0.00 54.79 55.23 1gpx n ASP 19 Cb 0.09 -0.93 0.00 0.00 -1.14 0.00 0.00 41.12 39.14 1gpx n ASP 19 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1gpx n GLY 20 N 5.58 2.58 3.76 6.12 0.00 -1.25 -4.98 105.19 116.99 1gpx n GLY 20 Ca 0.41 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.19 1gpx n GLY 20 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1gpx s VAL 21 N -2.37 4.16 0.36 1.61 1.01 0.24 -4.92 120.40 120.49 1gpx s VAL 21 Ca 0.00 -1.39 0.08 0.00 0.00 0.00 0.00 61.98 60.67 1gpx s VAL 21 Cb 0.00 -3.18 -0.07 0.00 0.00 0.00 0.00 36.38 33.13 1gpx s VAL 21 CO 0.00 -0.24 -0.05 -0.94 0.00 0.00 0.00 175.10 173.87 1gpx s SER 22 N -3.43 3.62 0.64 3.32 1.04 -1.26 0.12 113.70 117.75 1gpx s SER 22 Ca 0.31 -1.26 0.37 0.00 0.48 0.00 0.00 55.95 55.85 1gpx s SER 22 Cb -0.09 -0.33 2.06 0.00 0.10 0.00 0.00 66.02 67.76 1gpx s SER 22 CO 0.22 -0.31 2.24 -0.07 0.98 0.00 0.00 173.24 176.30 1gpx h LEU 23 N 1.98 0.00 0.00 2.42 4.07 -1.71 -2.95 115.31 119.12 1gpx h LEU 23 Ca -0.42 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.54 1gpx h LEU 23 Cb 1.25 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.99 1gpx h LEU 23 CO 0.73 0.00 0.00 0.80 -1.08 0.00 0.00 178.44 178.89 1gpx n MET 24 N -3.34 0.00 -0.09 1.13 0.00 -0.97 -3.74 117.12 110.12 1gpx n MET 24 Ca -0.02 0.36 -0.02 0.00 -0.00 0.00 0.00 57.70 58.01 1gpx n MET 24 Cb 0.16 -0.85 -0.02 0.00 0.00 0.00 0.00 33.22 32.52 1gpx n MET 24 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 175.97 176.91 1gpx n GLN 25 N -1.74 -0.09 0.00 2.12 7.27 -1.18 0.36 117.38 124.11 1gpx n GLN 25 Ca 0.00 0.99 0.00 0.00 0.07 0.00 0.00 57.00 58.06 1gpx n GLN 25 Cb 0.00 -1.48 0.00 0.00 2.41 0.00 0.00 30.24 31.17 1gpx n GLN 25 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1gpx n ALA 26 N -2.99 -0.04 -0.30 1.69 0.00 -1.12 0.21 120.51 117.95 1gpx n ALA 26 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.58 1gpx n ALA 26 Cb 0.06 0.35 0.29 0.00 0.00 0.00 0.00 19.45 20.15 1gpx n ALA 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1gpx h ALA 27 N -1.47 1.26 -0.26 0.00 0.00 -1.47 0.11 119.26 117.44 1gpx h ALA 27 Ca 0.00 0.24 0.04 0.00 0.00 0.00 0.00 54.91 55.19 1gpx h ALA 27 Cb 0.00 0.35 -0.07 0.00 0.00 0.00 0.00 17.79 18.07 1gpx h ALA 27 CO 0.00 -0.49 -0.51 0.28 0.00 0.00 0.00 179.25 178.53 1gpx h VAL 28 N 0.17 0.00 -0.70 0.00 2.07 1.06 0.63 116.25 119.47 1gpx h VAL 28 Ca 0.56 0.00 0.14 0.00 0.82 0.00 0.00 66.70 68.22 1gpx h VAL 28 Cb 1.14 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 30.81 1gpx h VAL 28 CO -0.69 0.00 0.18 0.28 0.02 0.00 0.00 177.57 177.36 1gpx h SER 29 N -0.45 0.04 0.06 0.57 0.02 0.23 1.91 113.55 115.93 1gpx h SER 29 Ca 0.05 0.13 0.00 0.00 -0.84 0.00 0.00 61.79 61.13 1gpx h SER 29 Cb 0.58 0.17 0.00 0.00 0.14 0.00 0.00 62.40 63.29 1gpx h SER 29 CO -0.48 -0.00 0.00 0.59 -1.14 0.00 0.00 176.83 175.79 1gpx n ASN 30 N -5.13 0.00 -0.01 3.07 3.02 0.77 -4.75 115.26 112.23 1gpx n ASN 30 Ca 0.13 -0.07 -0.00 0.00 -0.03 0.00 0.00 54.58 54.60 1gpx n ASN 30 Cb 0.41 -0.12 -0.00 0.00 -0.61 0.00 0.00 39.78 39.47 1gpx n ASN 30 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1gpx n GLY 31 N -0.57 0.48 0.17 7.41 0.00 0.65 -4.89 105.19 108.43 1gpx n GLY 31 Ca 0.05 -0.18 -0.02 0.00 0.00 0.00 0.00 46.02 45.87 1gpx n GLY 31 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1gpx h ILE 32 N 0.00 1.37 -2.10 -0.61 2.04 -0.01 -3.27 117.51 114.93 1gpx h ILE 32 Ca -0.00 -1.81 -0.71 0.00 1.00 0.00 0.00 64.86 63.35 1gpx h ILE 32 Cb 0.02 1.92 -0.34 0.00 -0.74 0.00 0.00 36.82 37.69 1gpx h ILE 32 CO 0.00 0.53 0.30 -1.22 0.00 0.00 0.00 178.15 177.76 1gpx n TYR 33 N -3.92 3.28 -0.71 1.37 4.01 -1.24 -4.85 117.16 115.09 1gpx n TYR 33 Ca -0.02 -3.00 -0.10 0.00 -0.16 0.00 0.00 57.90 54.62 1gpx n TYR 33 Cb 0.55 -0.83 -0.11 0.00 -0.31 0.00 0.00 39.34 38.64 1gpx n TYR 33 CO 0.00 0.00 0.00 -0.40 -0.46 0.00 0.00 176.86 176.00 1gpx n ASP 34 N -0.27 3.81 -1.91 7.72 5.75 -1.24 -4.79 116.55 125.62 1gpx n ASP 34 Ca 0.43 -2.20 0.00 0.00 -0.01 0.00 0.00 54.79 53.01 1gpx n ASP 34 Cb 0.35 -1.00 0.00 0.00 -1.03 0.00 0.00 41.12 39.44 1gpx n ASP 34 CO 0.00 0.00 0.00 2.30 -0.11 0.00 0.00 177.20 179.39 1gpx n ILE 35 N 2.75 0.00 -1.59 2.12 -6.64 -1.26 -5.11 119.36 109.63 1gpx n ILE 35 Ca 0.32 0.00 0.00 0.00 -1.77 0.00 0.00 62.75 61.30 1gpx n ILE 35 Cb 0.61 0.00 0.00 0.00 -1.44 0.00 0.00 39.64 38.81 1gpx n ILE 35 CO 0.00 0.00 0.00 0.55 -1.77 0.00 0.00 176.55 175.33 1gpx n VAL 36 N 0.00 0.00 -3.91 7.28 3.14 -1.26 -5.06 118.33 118.51 1gpx n VAL 36 Ca 0.00 0.00 -0.29 0.00 -2.96 0.00 0.00 64.34 61.09 1gpx n VAL 36 Cb 0.00 -0.69 -0.13 0.00 -1.06 0.00 0.00 33.84 31.96 1gpx n VAL 36 CO 0.00 0.00 0.00 -0.83 -6.46 0.00 0.00 176.83 169.54 1gpx s GLY 37 N -0.66 2.74 0.08 7.55 0.00 -1.26 -4.86 107.32 110.92 1gpx s GLY 37 Ca 0.00 -3.62 0.00 0.00 0.00 0.00 0.00 44.72 41.10 1gpx s GLY 37 CO 0.00 1.06 0.00 1.22 0.00 0.00 0.00 173.10 175.38 1gpx n ASP 38 N 2.40 0.91 0.19 1.64 8.00 -1.26 -4.75 116.55 123.68 1gpx n ASP 38 Ca 0.14 0.12 0.04 0.00 0.71 0.00 0.00 54.79 55.80 1gpx n ASP 38 Cb 0.34 -0.28 0.38 0.00 -0.02 0.00 0.00 41.12 41.54 1gpx n ASP 38 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1gpx n GLY 40 N -0.17 -0.28 1.70 0.00 0.00 -1.26 0.23 105.19 105.42 1gpx n GLY 40 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1gpx n GLY 40 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1gpx n GLY 41 N -0.56 0.70 0.00 -0.02 0.00 -1.26 -4.94 105.19 99.11 1gpx n GLY 41 Ca -0.08 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.18 1gpx n GLY 41 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1gpx n SER 42 N 1.70 0.00 -2.24 1.61 3.41 0.64 -5.04 113.62 113.70 1gpx n SER 42 Ca 0.00 -1.00 -0.08 0.00 -0.26 0.00 0.00 58.87 57.53 1gpx n SER 42 Cb 0.49 0.00 0.04 0.00 -0.26 0.00 0.00 64.21 64.48 1gpx n SER 42 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1gpx n ALA 43 N 0.00 -1.15 -2.50 7.33 0.00 -1.10 -4.97 120.51 118.12 1gpx n ALA 43 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.38 1gpx n ALA 43 Cb 0.46 -1.99 0.05 0.00 0.00 0.00 0.00 19.45 17.96 1gpx n ALA 43 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1gpx n SER 44 N -2.14 2.48 -4.66 0.00 7.64 -1.26 -4.72 113.62 110.96 1gpx n SER 44 Ca -0.10 -2.62 -0.27 0.00 1.01 0.00 0.00 58.87 56.89 1gpx n SER 44 Cb 0.57 -0.42 -0.08 0.00 -1.01 0.00 0.00 64.21 63.27 1gpx n SER 44 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1gpx n ALA 46 N -0.01 2.65 -0.06 0.00 0.00 -1.26 -4.17 120.51 117.66 1gpx n ALA 46 Ca -0.10 -0.52 -0.07 0.00 0.00 0.00 0.00 53.44 52.76 1gpx n ALA 46 Cb 0.55 -0.36 -0.07 0.00 0.00 0.00 0.00 19.45 19.56 1gpx n ALA 46 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1gpx n THR 47 N 0.20 0.72 -1.12 0.00 -2.24 -1.26 -4.55 114.28 106.04 1gpx n THR 47 Ca 0.05 -0.36 -0.34 0.00 -2.27 0.00 0.00 64.05 61.13 1gpx n THR 47 Cb 0.24 -0.83 -0.03 0.00 -2.10 0.00 0.00 70.33 67.62 1gpx n THR 47 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1gpx s HIS 49 N 3.42 3.59 0.04 0.00 2.46 -1.26 0.35 115.29 123.89 1gpx s HIS 49 Ca 0.52 0.96 -0.07 0.00 0.47 0.00 0.00 55.06 56.94 1gpx s HIS 49 Cb 0.14 -2.50 -0.01 0.00 -0.13 0.00 0.00 32.58 30.08 1gpx s HIS 49 CO -0.02 0.31 0.12 0.14 -2.47 0.00 0.00 174.74 172.83 1gpx s VAL 50 N 0.09 0.13 -0.29 0.89 -7.23 -0.90 -4.05 120.40 109.03 1gpx s VAL 50 Ca 0.26 -1.04 0.00 0.00 -1.81 0.00 0.00 61.98 59.40 1gpx s VAL 50 Cb -0.16 -0.90 0.06 0.00 0.56 0.00 0.00 36.38 35.94 1gpx s VAL 50 CO 0.12 -0.57 -0.04 -0.31 -0.31 0.00 0.00 175.10 173.99 1gpx s TYR 51 N -2.60 3.28 0.48 2.82 2.02 0.66 -2.63 117.35 121.38 1gpx s TYR 51 Ca -0.05 -2.08 -0.07 0.00 -0.37 0.00 0.00 57.07 54.50 1gpx s TYR 51 Cb -0.01 -2.08 -0.04 0.00 -0.40 0.00 0.00 41.96 39.43 1gpx s TYR 51 CO -0.04 -0.84 0.81 0.08 -1.57 0.00 0.00 175.55 173.98 1gpx s VAL 52 N 1.18 4.86 0.07 0.71 1.01 -1.26 0.11 120.40 127.08 1gpx s VAL 52 Ca -0.06 0.37 -0.30 0.00 0.00 0.00 0.00 61.98 61.98 1gpx s VAL 52 Cb -0.20 -3.84 -0.05 0.00 0.00 0.00 0.00 36.38 32.30 1gpx s VAL 52 CO -0.03 -0.81 1.01 0.54 0.00 0.00 0.00 175.10 175.82 1gpx s ASN 53 N -3.90 7.37 0.55 3.32 4.22 0.60 -4.72 114.94 122.39 1gpx s ASN 53 Ca 0.49 1.80 0.36 0.00 -2.14 0.00 0.00 52.86 53.37 1gpx s ASN 53 Cb -0.10 -2.58 1.23 0.00 1.28 0.00 0.00 41.25 41.08 1gpx s ASN 53 CO 0.43 -0.21 1.33 -1.84 -2.04 0.00 0.00 177.10 174.78 1gpx n GLU 54 N 3.30 0.01 0.29 3.55 0.28 -1.26 0.19 120.64 126.99 1gpx n GLU 54 Ca 0.05 0.98 0.16 0.00 -0.16 0.00 0.00 57.16 58.19 1gpx n GLU 54 Cb 0.49 -2.36 0.86 0.00 1.43 0.00 0.00 31.44 31.86 1gpx n GLU 54 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1gpx h ALA 55 N 0.71 1.21 0.00 -1.84 0.00 -1.96 -2.85 119.26 114.52 1gpx h ALA 55 Ca 0.67 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.53 1gpx h ALA 55 Cb 3.15 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 20.93 1gpx h ALA 55 CO -0.01 0.08 -0.46 1.19 0.00 0.00 0.00 179.25 180.05 1gpx n PHE 56 N -3.47 0.00 0.13 0.00 3.01 0.50 -4.50 117.46 113.13 1gpx n PHE 56 Ca -0.02 0.00 0.01 0.00 1.01 0.00 0.00 57.45 58.45 1gpx n PHE 56 Cb 0.19 0.00 0.04 0.00 -0.01 0.00 0.00 39.48 39.70 1gpx n PHE 56 CO 0.00 0.00 0.00 1.79 1.01 0.00 0.00 176.76 179.56 1gpx h THR 57 N 0.00 1.08 0.00 4.37 1.35 -1.20 -2.36 112.91 116.14 1gpx h THR 57 Ca 0.00 -2.39 -0.14 0.00 -0.55 0.00 0.00 66.41 63.33 1gpx h THR 57 Cb 0.00 2.44 -0.02 0.00 -1.73 0.00 0.00 68.15 68.84 1gpx h THR 57 CO 0.00 0.59 -0.77 -2.24 -0.25 0.00 0.00 175.52 172.85 1gpx h ASP 58 N 0.00 0.00 0.00 5.36 2.03 -1.75 -3.34 116.42 118.71 1gpx h ASP 58 Ca -0.01 0.00 -0.00 0.00 -0.73 0.00 0.00 57.03 56.29 1gpx h ASP 58 Cb 1.40 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.90 1gpx h ASP 58 CO 0.08 0.62 -0.00 0.11 -1.03 0.00 0.00 179.24 179.02 1gpx h LYS 59 N 0.00 -0.00 -6.05 4.15 1.79 -1.77 -3.47 116.57 111.22 1gpx h LYS 59 Ca -0.04 0.00 -0.53 0.00 -2.18 0.00 0.00 60.65 57.90 1gpx h LYS 59 Cb 1.51 0.00 0.24 0.00 -1.58 0.00 0.00 32.23 32.40 1gpx h LYS 59 CO 0.07 0.79 -2.01 1.33 -1.08 0.00 0.00 179.45 178.55 1gpx n VAL 60 N -4.65 0.00 -1.00 0.50 0.24 -0.89 -4.89 118.33 107.64 1gpx n VAL 60 Ca -0.08 -0.36 -0.30 0.00 -2.04 0.00 0.00 64.34 61.56 1gpx n VAL 60 Cb 0.38 -0.04 0.17 0.00 -1.47 0.00 0.00 33.84 32.88 1gpx n VAL 60 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 1gpx s PRO 61 N -2.10 0.71 -0.17 7.34 0.04 -1.26 -4.96 135.00 134.59 1gpx s PRO 61 Ca 0.40 0.90 -0.28 0.00 0.04 0.00 0.00 61.00 62.06 1gpx s PRO 61 Cb -0.11 -1.74 -0.00 0.00 0.04 0.00 0.00 34.50 32.69 1gpx s PRO 61 CO 0.78 -2.64 0.98 0.00 0.04 0.00 0.00 177.00 176.16 1gpx s ALA 62 N -2.80 3.55 0.94 8.56 0.00 -1.26 -5.00 121.76 125.75 1gpx s ALA 62 Ca 0.65 0.21 -0.12 0.00 0.00 0.00 0.00 51.96 52.71 1gpx s ALA 62 Cb -0.20 -3.44 0.15 0.00 0.00 0.00 0.00 23.12 19.63 1gpx s ALA 62 CO 0.59 -0.81 1.09 0.00 0.00 0.00 0.00 175.76 176.62 1gpx s ALA 63 N 2.57 1.30 0.00 0.00 0.00 -1.26 -5.06 121.76 119.30 1gpx s ALA 63 Ca 0.44 -0.13 0.00 0.00 0.00 0.00 0.00 51.96 52.27 1gpx s ALA 63 Cb -0.16 -3.18 0.00 0.00 0.00 0.00 0.00 23.12 19.78 1gpx s ALA 63 CO 0.12 -2.56 0.00 0.27 0.00 0.00 0.00 175.76 173.59 1gpx n ASN 64 N -4.01 0.04 0.18 0.00 6.94 -1.26 -5.00 115.26 112.15 1gpx n ASN 64 Ca 0.06 0.00 0.07 0.00 -0.02 0.00 0.00 54.58 54.69 1gpx n ASN 64 Cb 0.56 0.00 0.16 0.00 -2.36 0.00 0.00 39.78 38.13 1gpx n ASN 64 CO 0.00 0.00 0.00 1.05 -1.03 0.00 0.00 177.26 177.28 1gpx h GLU 65 N 0.00 0.00 -0.11 -3.83 -0.00 -2.01 -3.27 114.58 105.36 1gpx h GLU 65 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 59.36 59.35 1gpx h GLU 65 Cb 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 28.75 28.75 1gpx h GLU 65 CO 0.00 0.29 0.02 0.07 -0.00 0.00 0.00 179.01 179.39 1gpx h ARG 66 N 0.00 0.18 0.00 1.06 0.11 -1.94 -1.74 114.38 112.05 1gpx h ARG 66 Ca -0.00 -0.04 0.00 0.00 0.10 0.00 0.00 59.98 60.03 1gpx h ARG 66 Cb 1.14 -0.02 0.00 0.00 1.11 0.00 0.00 29.97 32.20 1gpx h ARG 66 CO 0.04 0.36 0.01 -1.91 0.10 0.00 0.00 179.97 178.57 1gpx n GLU 67 N -4.86 0.00 -0.03 0.08 0.00 -1.23 -1.49 120.64 113.11 1gpx n GLU 67 Ca -0.06 0.30 -0.10 0.00 0.00 0.00 0.00 57.16 57.30 1gpx n GLU 67 Cb 0.16 -1.51 -0.14 0.00 0.00 0.00 0.00 31.44 29.94 1gpx n GLU 67 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.13 176.24 1gpx n ILE 68 N -1.29 1.60 -0.05 6.31 -0.00 -0.66 -3.63 119.36 121.64 1gpx n ILE 68 Ca 0.00 -0.79 -0.03 0.00 -0.00 0.00 0.00 62.75 61.93 1gpx n ILE 68 Cb 0.01 -1.03 -0.01 0.00 -0.00 0.00 0.00 39.64 38.61 1gpx n ILE 68 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 1gpx n GLY 69 N 1.62 -0.82 0.31 7.39 0.00 -0.56 -2.73 105.19 110.41 1gpx n GLY 69 Ca -0.20 -0.12 0.13 0.00 0.00 0.00 0.00 46.02 45.84 1gpx n GLY 69 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gpx h MET 70 N -0.68 0.40 0.00 1.61 -0.00 -1.77 2.19 114.93 116.68 1gpx h MET 70 Ca 0.00 -0.02 -0.04 0.00 -0.00 0.00 0.00 59.70 59.64 1gpx h MET 70 Cb 0.35 -0.09 -0.01 0.00 -0.00 0.00 0.00 31.60 31.85 1gpx h MET 70 CO 0.00 0.26 -0.18 1.25 -0.00 0.00 0.00 176.91 178.24 1gpx h LEU 71 N 0.41 0.00 0.00 -0.10 6.46 -1.72 -2.35 115.31 118.01 1gpx h LEU 71 Ca 0.56 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 58.32 1gpx h LEU 71 Cb 1.05 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.98 1gpx h LEU 71 CO -0.52 0.18 -0.93 -0.08 -0.62 0.00 0.00 178.44 176.47 1gpx h GLU 72 N 0.00 0.00 -1.13 1.25 4.81 0.33 -3.32 114.58 116.53 1gpx h GLU 72 Ca -0.00 0.00 0.32 0.00 -0.13 0.00 0.00 59.36 59.55 1gpx h GLU 72 Cb 0.61 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 29.94 1gpx h GLU 72 CO 0.02 0.00 0.79 0.00 -0.73 0.00 0.00 179.01 179.10 1gpx s VAL 74 N -5.07 4.88 -0.58 0.00 -7.23 -1.25 -4.94 120.40 106.22 1gpx s VAL 74 Ca -0.06 -1.95 -0.13 0.00 -1.81 0.00 0.00 61.98 58.04 1gpx s VAL 74 Cb 0.23 -4.80 -0.14 0.00 0.56 0.00 0.00 36.38 32.24 1gpx s VAL 74 CO 0.80 -1.51 1.68 1.07 -0.31 0.00 0.00 175.10 176.84 1gpx n THR 75 N 5.12 0.00 -2.46 5.32 5.66 -1.09 -4.59 114.28 122.24 1gpx n THR 75 Ca 0.27 -0.35 -0.12 0.00 -3.05 0.00 0.00 64.05 60.80 1gpx n THR 75 Cb 0.47 -0.84 0.03 0.00 -1.55 0.00 0.00 70.33 68.44 1gpx n THR 75 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1gpx n ALA 76 N 11.08 3.79 -4.08 1.79 0.00 -1.26 -4.23 120.51 127.60 1gpx n ALA 76 Ca 0.29 -3.29 -0.46 0.00 0.00 0.00 0.00 53.44 49.98 1gpx n ALA 76 Cb 0.43 -0.62 0.02 0.00 0.00 0.00 0.00 19.45 19.27 1gpx n ALA 76 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1gpx n GLU 77 N -0.62 -0.23 0.00 0.00 0.28 -1.26 -4.48 120.64 114.33 1gpx n GLU 77 Ca 0.25 0.04 0.00 0.00 -0.16 0.00 0.00 57.16 57.28 1gpx n GLU 77 Cb 0.87 -2.29 0.00 0.00 1.43 0.00 0.00 31.44 31.45 1gpx n GLU 77 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 177.13 176.86 1gpx n LEU 78 N -4.92 0.00 -4.90 -1.84 7.94 -1.26 -4.87 117.00 107.14 1gpx n LEU 78 Ca -0.11 0.00 -0.29 0.00 -1.11 0.00 0.00 56.01 54.50 1gpx n LEU 78 Cb 0.54 0.00 0.10 0.00 0.53 0.00 0.00 43.42 44.59 1gpx n LEU 78 CO 0.72 0.00 0.80 -0.54 -1.11 0.00 0.00 177.39 177.25 1gpx s LYS 79 N 0.00 1.85 0.49 1.96 -0.14 -1.26 -4.91 119.74 117.73 1gpx s LYS 79 Ca 0.00 0.06 0.24 0.00 -1.36 0.00 0.00 55.97 54.91 1gpx s LYS 79 Cb 0.00 -1.94 1.26 0.00 -1.68 0.00 0.00 37.83 35.47 1gpx s LYS 79 CO 0.00 -1.67 2.01 -1.00 -0.76 0.00 0.00 175.35 173.93 1gpx h PRO 80 N -1.11 0.00 -0.00 -1.68 0.13 -2.01 -2.78 132.00 124.56 1gpx h PRO 80 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1gpx h PRO 80 Cb 1.32 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.45 1gpx h PRO 80 CO 0.64 0.17 -0.50 0.27 -0.23 0.00 0.00 178.00 178.34 1gpx n ASN 81 N -3.72 0.89 -4.34 1.44 6.94 -1.26 -5.02 115.26 110.19 1gpx n ASN 81 Ca -0.02 -0.95 -0.34 0.00 -0.02 0.00 0.00 54.58 53.25 1gpx n ASN 81 Cb 0.28 0.82 0.09 0.00 -2.36 0.00 0.00 39.78 38.62 1gpx n ASN 81 CO 0.00 0.00 0.00 -1.20 -1.03 0.00 0.00 177.26 175.03 1gpx n SER 82 N -0.93 -2.71 -3.61 0.53 7.64 -1.05 -4.34 113.62 109.16 1gpx n SER 82 Ca 0.04 0.36 -0.04 0.00 1.01 0.00 0.00 58.87 60.23 1gpx n SER 82 Cb 0.23 -1.11 -0.03 0.00 -1.01 0.00 0.00 64.21 62.29 1gpx n SER 82 CO 0.00 0.00 0.00 -0.60 -3.01 0.00 0.00 175.04 171.43 1gpx s ARG 83 N -3.07 0.27 0.19 1.43 3.52 -1.08 -4.89 118.95 115.32 1gpx s ARG 83 Ca 0.55 -0.05 -0.30 0.00 -0.13 0.00 0.00 55.73 55.81 1gpx s ARG 83 Cb -0.24 0.13 -0.08 0.00 -1.56 0.00 0.00 34.95 33.19 1gpx s ARG 83 CO 0.68 -0.11 1.17 -1.17 -0.81 0.00 0.00 175.30 175.07 1gpx s LEU 84 N -1.77 4.46 0.61 -0.88 0.20 -1.26 -2.12 118.68 117.92 1gpx s LEU 84 Ca 0.08 2.21 0.25 0.00 0.69 0.00 0.00 54.13 57.36 1gpx s LEU 84 Cb -0.01 -3.61 1.08 0.00 -0.43 0.00 0.00 46.19 43.22 1gpx s LEU 84 CO -0.05 -0.33 1.53 0.28 -0.29 0.00 0.00 176.35 177.49 1gpx h SER 85 N 5.14 0.00 -1.19 3.68 0.02 0.56 0.53 113.55 122.29 1gpx h SER 85 Ca -0.45 0.00 -0.67 0.00 -0.84 0.00 0.00 61.79 59.83 1gpx h SER 85 Cb 1.21 0.00 -0.32 0.00 0.14 0.00 0.00 62.40 63.43 1gpx h SER 85 CO 0.74 0.00 0.52 0.00 -1.14 0.00 0.00 176.83 176.94 1gpx n GLN 87 N -0.78 0.00 -3.26 0.00 1.13 0.18 -2.71 117.38 111.94 1gpx n GLN 87 Ca 0.56 0.00 -0.39 0.00 -1.94 0.00 0.00 57.00 55.24 1gpx n GLN 87 Cb 0.63 -0.75 -0.06 0.00 0.11 0.00 0.00 30.24 30.17 1gpx n GLN 87 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1gpx s ILE 88 N -1.81 4.72 0.45 5.09 1.01 -1.26 -4.96 121.20 124.44 1gpx s ILE 88 Ca 0.00 1.24 0.07 0.00 0.00 0.00 0.00 60.65 61.96 1gpx s ILE 88 Cb 0.00 -3.91 -0.02 0.00 0.01 0.00 0.00 42.46 38.54 1gpx s ILE 88 CO 0.00 0.55 0.30 -0.63 0.00 0.00 0.00 174.94 175.16 1gpx s ILE 89 N -1.12 2.21 -0.27 2.92 -1.09 -1.26 -3.54 121.20 119.05 1gpx s ILE 89 Ca 0.29 -1.53 -0.05 0.00 -2.23 0.00 0.00 60.65 57.13 1gpx s ILE 89 Cb -0.20 -2.74 0.01 0.00 -1.58 0.00 0.00 42.46 37.95 1gpx s ILE 89 CO 0.19 0.00 0.03 -0.32 -1.23 0.00 0.00 174.94 173.62 1gpx s MET 90 N -4.08 3.10 0.47 2.79 1.75 0.33 -4.85 119.30 118.82 1gpx s MET 90 Ca 0.40 -0.83 0.05 0.00 -1.25 0.00 0.00 55.69 54.06 1gpx s MET 90 Cb -0.00 -3.24 0.02 0.00 2.84 0.00 0.00 34.83 34.45 1gpx s MET 90 CO 0.23 -0.39 0.66 0.95 -0.65 0.00 0.00 175.02 175.82 1gpx s THR 91 N 1.47 2.94 -1.44 10.11 -4.23 -1.26 0.26 115.64 123.49 1gpx s THR 91 Ca 0.03 -0.83 0.20 0.00 -1.18 0.00 0.00 61.69 59.90 1gpx s THR 91 Cb -0.17 -3.04 0.34 0.00 1.34 0.00 0.00 72.50 70.98 1gpx s THR 91 CO 0.00 -0.02 1.61 -0.81 -0.54 0.00 0.00 174.62 174.86 1gpx n PRO 92 N -2.06 0.28 -0.02 3.99 -0.04 -1.26 -2.99 135.00 132.89 1gpx n PRO 92 Ca 0.07 0.10 0.01 0.00 -0.04 0.00 0.00 63.50 63.65 1gpx n PRO 92 Cb 0.59 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.47 1gpx n PRO 92 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1gpx n GLU 93 N -1.28 1.14 -2.14 0.54 0.28 -1.26 -4.66 120.64 113.26 1gpx n GLU 93 Ca 0.09 -0.06 -0.38 0.00 -0.16 0.00 0.00 57.16 56.65 1gpx n GLU 93 Cb 0.15 -1.25 0.01 0.00 1.43 0.00 0.00 31.44 31.78 1gpx n GLU 93 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 1gpx n LEU 94 N -2.06 7.42 -4.88 -1.84 4.77 -1.16 -4.97 117.00 114.27 1gpx n LEU 94 Ca -0.07 -4.93 -0.33 0.00 -0.03 0.00 0.00 56.01 50.64 1gpx n LEU 94 Cb 0.49 -1.20 -0.05 0.00 -2.33 0.00 0.00 43.42 40.33 1gpx n LEU 94 CO 0.22 1.93 -0.17 1.51 -1.33 0.00 0.00 177.39 179.54 1gpx s ASP 95 N -0.63 6.24 0.00 -1.43 -4.77 -1.26 -4.42 116.67 110.40 1gpx s ASP 95 Ca 0.49 0.30 0.00 0.00 -3.30 0.00 0.00 52.55 50.04 1gpx s ASP 95 Cb 0.28 -1.93 0.00 0.00 -1.09 0.00 0.00 42.92 40.19 1gpx s ASP 95 CO -0.21 0.25 0.00 0.61 0.70 0.00 0.00 175.17 176.52 1gpx n GLY 96 N 0.90 1.28 3.74 2.12 0.00 0.23 -4.73 105.19 108.73 1gpx n GLY 96 Ca -0.11 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.55 1gpx n GLY 96 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1gpx s ILE 97 N -2.00 2.30 -0.46 -0.61 2.07 0.14 -4.89 121.20 117.74 1gpx s ILE 97 Ca 0.00 0.18 0.03 0.00 -1.41 0.00 0.00 60.65 59.45 1gpx s ILE 97 Cb 0.00 -3.03 0.13 0.00 0.13 0.00 0.00 42.46 39.69 1gpx s ILE 97 CO 0.00 -0.04 0.24 -0.69 -1.91 0.00 0.00 174.94 172.54 1gpx s VAL 98 N -1.54 1.66 0.29 4.00 1.01 -1.26 -1.63 120.40 122.93 1gpx s VAL 98 Ca 0.80 -2.73 0.07 0.00 0.00 0.00 0.00 61.98 60.12 1gpx s VAL 98 Cb -0.34 -2.16 -0.03 0.00 0.00 0.00 0.00 36.38 33.85 1gpx s VAL 98 CO 0.38 -0.88 0.28 0.54 0.00 0.00 0.00 175.10 175.42 1gpx s VAL 99 N 0.20 4.15 0.22 2.92 0.11 0.64 -0.29 120.40 128.36 1gpx s VAL 99 Ca 0.18 -1.30 -0.06 0.00 -2.93 0.00 0.00 61.98 57.86 1gpx s VAL 99 Cb -0.24 -3.37 -0.02 0.00 -1.53 0.00 0.00 36.38 31.21 1gpx s VAL 99 CO 0.00 -0.26 0.29 -1.81 -3.33 0.00 0.00 175.10 169.99 1gpx s ASP 100 N -3.95 0.05 -0.16 3.54 1.11 0.29 0.21 116.67 117.76 1gpx s ASP 100 Ca 0.37 -1.18 -0.03 0.00 0.18 0.00 0.00 52.55 51.89 1gpx s ASP 100 Cb -0.07 0.48 -0.02 0.00 1.07 0.00 0.00 42.92 44.37 1gpx s ASP 100 CO 0.27 -0.98 -0.05 -0.69 1.18 0.00 0.00 175.17 174.89 1gpx s VAL 101 N -4.08 3.70 -0.47 -1.27 1.01 0.18 0.24 120.40 119.71 1gpx s VAL 101 Ca 0.31 -0.42 -0.28 0.00 0.00 0.00 0.00 61.98 61.59 1gpx s VAL 101 Cb 0.03 -2.62 -0.01 0.00 0.00 0.00 0.00 36.38 33.79 1gpx s VAL 101 CO 0.11 0.49 1.65 -2.16 0.00 0.00 0.00 175.10 175.19 1gpx s PRO 102 N 0.49 3.20 -0.00 2.72 0.04 -1.26 -3.27 135.00 136.92 1gpx s PRO 102 Ca -0.04 0.91 0.10 0.00 0.04 0.00 0.00 61.00 62.00 1gpx s PRO 102 Cb -0.15 -4.19 0.29 0.00 0.04 0.00 0.00 34.50 30.49 1gpx s PRO 102 CO 0.03 -2.03 1.24 -3.47 0.04 0.00 0.00 177.00 172.81 1gpx n ASP 103 N 10.44 1.76 -2.09 6.66 2.03 -1.26 -4.95 116.55 129.14 1gpx n ASP 103 Ca 0.19 -2.00 -0.22 0.00 0.52 0.00 0.00 54.79 53.28 1gpx n ASP 103 Cb 0.49 -0.22 -0.01 0.00 -0.72 0.00 0.00 41.12 40.66 1gpx n ASP 103 CO 0.00 0.00 0.00 -1.14 -1.92 0.00 0.00 177.20 174.14 1gpx n ARG 104 N 0.46 0.00 -3.98 -0.67 0.00 -1.26 -4.91 116.66 106.31 1gpx n ARG 104 Ca 0.11 0.00 -0.30 0.00 -0.00 0.00 0.00 57.85 57.66 1gpx n ARG 104 Cb 0.28 -0.48 -0.14 0.00 0.00 0.00 0.00 32.46 32.11 1gpx n ARG 104 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.63 176.98 1gpx s GLN 105 N -0.48 1.74 0.00 -0.14 -1.52 -1.26 -5.01 119.66 112.99 1gpx s GLN 105 Ca 0.30 -2.27 0.00 0.00 -1.95 0.00 0.00 55.36 51.43 1gpx s GLN 105 Cb -0.38 -3.25 0.00 0.00 -0.22 0.00 0.00 33.01 29.16 1gpx s GLN 105 CO 0.28 -1.03 0.00 0.91 -0.25 0.00 0.00 175.29 175.20