#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 4.26 0.04 1.43 2.47 -1.26 -1.77 119.74 124.90 1gpx s LYS 2 Ca 0.00 1.92 0.07 0.00 -1.56 0.00 0.00 55.97 56.40 1gpx s LYS 2 Cb 0.00 -3.69 -0.02 0.00 -1.46 0.00 0.00 37.83 32.65 1gpx s LYS 2 CO 0.00 -0.65 -0.21 0.08 0.16 0.00 0.00 175.35 174.73 1gpx s VAL 3 N 2.94 1.69 -0.08 4.02 1.01 0.18 0.84 120.40 131.00 1gpx s VAL 3 Ca 0.63 -1.16 0.00 0.00 0.00 0.00 0.00 61.98 61.45 1gpx s VAL 3 Cb -0.29 -1.46 0.02 0.00 0.00 0.00 0.00 36.38 34.65 1gpx s VAL 3 CO 0.24 0.25 -0.06 -0.69 0.00 0.00 0.00 175.10 174.84 1gpx s VAL 4 N -0.76 0.78 -0.08 2.92 1.01 0.88 0.22 120.40 125.38 1gpx s VAL 4 Ca 0.08 -0.20 -0.04 0.00 0.00 0.00 0.00 61.98 61.82 1gpx s VAL 4 Cb -0.09 -0.81 -0.04 0.00 0.00 0.00 0.00 36.38 35.45 1gpx s VAL 4 CO 0.01 0.31 0.09 -0.31 0.00 0.00 0.00 175.10 175.20 1gpx s TYR 5 N 1.34 3.41 0.11 5.22 2.02 0.90 0.60 117.35 130.95 1gpx s TYR 5 Ca -0.03 0.36 0.10 0.00 -0.37 0.00 0.00 57.07 57.13 1gpx s TYR 5 Cb -0.14 -1.85 -0.04 0.00 -0.40 0.00 0.00 41.96 39.54 1gpx s TYR 5 CO -0.03 0.62 -0.26 0.08 -1.57 0.00 0.00 175.55 174.39 1gpx s VAL 6 N -1.05 2.14 -0.07 0.71 1.01 -1.05 0.19 120.40 122.28 1gpx s VAL 6 Ca 0.17 -1.63 0.00 0.00 0.00 0.00 0.00 61.98 60.52 1gpx s VAL 6 Cb -0.12 -1.89 -0.03 0.00 0.00 0.00 0.00 36.38 34.35 1gpx s VAL 6 CO 0.07 0.13 -0.06 -0.94 0.00 0.00 0.00 175.10 174.30 1gpx s SER 7 N -1.83 4.69 0.64 3.32 1.04 0.17 0.29 113.70 122.02 1gpx s SER 7 Ca 0.12 -0.02 0.18 0.00 0.48 0.00 0.00 55.95 56.72 1gpx s SER 7 Cb -0.10 -1.23 0.86 0.00 0.10 0.00 0.00 66.02 65.65 1gpx s SER 7 CO 0.05 0.35 1.44 -0.74 0.98 0.00 0.00 173.24 175.32 1gpx h HIS 8 N 5.34 0.00 -0.00 5.02 2.76 -1.61 2.46 115.15 129.11 1gpx h HIS 8 Ca -0.48 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 57.69 1gpx h HIS 8 Cb 1.18 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.14 1gpx h HIS 8 CO 0.57 0.00 -0.09 -0.40 -1.30 0.00 0.00 177.93 176.70 1gpx n ASP 9 N -2.96 0.18 0.00 3.26 5.75 -1.26 -4.92 116.55 116.60 1gpx n ASP 9 Ca 0.06 -0.02 0.00 0.00 -0.01 0.00 0.00 54.79 54.82 1gpx n ASP 9 Cb 0.91 -0.24 0.00 0.00 -1.03 0.00 0.00 41.12 40.76 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 1.39 2.63 3.53 6.12 0.00 0.83 -5.07 105.19 114.62 1gpx n GLY 10 Ca 0.10 -0.70 -0.41 0.00 0.00 0.00 0.00 46.02 45.01 1gpx n GLY 10 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1gpx n THR 11 N 0.00 2.22 -4.26 2.61 -1.04 -1.25 -4.41 114.28 108.14 1gpx n THR 11 Ca 0.00 -0.50 -0.16 0.00 -2.04 0.00 0.00 64.05 61.35 1gpx n THR 11 Cb 0.00 -0.84 -0.10 0.00 -1.82 0.00 0.00 70.33 67.57 1gpx n THR 11 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 1gpx s ARG 12 N -1.86 1.08 -0.04 -2.82 0.52 -1.26 0.47 118.95 115.04 1gpx s ARG 12 Ca 0.64 -1.39 -0.02 0.00 -0.52 0.00 0.00 55.73 54.45 1gpx s ARG 12 Cb -0.57 -0.80 0.03 0.00 0.52 0.00 0.00 34.95 34.14 1gpx s ARG 12 CO 0.56 0.13 0.06 0.50 0.02 0.00 0.00 175.30 176.57 1gpx s ARG 13 N -3.33 -0.07 -0.25 3.54 3.52 0.51 -4.89 118.95 117.98 1gpx s ARG 13 Ca 0.15 0.35 -0.12 0.00 -0.13 0.00 0.00 55.73 55.98 1gpx s ARG 13 Cb -0.01 -0.44 -0.05 0.00 -1.56 0.00 0.00 34.95 32.89 1gpx s ARG 13 CO 0.02 -0.30 0.22 -1.21 -0.81 0.00 0.00 175.30 173.23 1gpx s GLU 14 N 1.95 4.05 0.06 5.12 8.01 -1.26 0.31 118.70 136.93 1gpx s GLU 14 Ca 0.02 -0.19 0.05 0.00 0.01 0.00 0.00 54.97 54.85 1gpx s GLU 14 Cb -0.12 -3.58 -0.04 0.00 -4.31 0.00 0.00 34.13 26.08 1gpx s GLU 14 CO -0.03 -0.05 -0.05 -0.51 0.01 0.00 0.00 175.26 174.63 1gpx s LEU 15 N 1.38 3.27 -0.83 1.80 1.43 0.60 -4.93 118.68 121.41 1gpx s LEU 15 Ca 0.10 -0.21 -0.14 0.00 -1.03 0.00 0.00 54.13 52.84 1gpx s LEU 15 Cb -0.15 -1.98 0.22 0.00 0.03 0.00 0.00 46.19 44.31 1gpx s LEU 15 CO 0.07 0.21 0.77 -1.81 0.23 0.00 0.00 176.35 175.82 1gpx s ASP 16 N -1.97 6.76 0.48 2.29 1.01 -1.26 -0.65 116.67 123.33 1gpx s ASP 16 Ca 0.22 -2.68 0.07 0.00 0.71 0.00 0.00 52.55 50.87 1gpx s ASP 16 Cb -0.11 -2.21 0.03 0.00 1.01 0.00 0.00 42.92 41.64 1gpx s ASP 16 CO 0.13 -0.58 0.66 -0.69 0.21 0.00 0.00 175.17 174.91 1gpx s VAL 17 N 0.18 2.73 0.00 -1.27 1.01 -0.73 -4.90 120.40 117.43 1gpx s VAL 17 Ca 0.18 -0.94 0.00 0.00 0.00 0.00 0.00 61.98 61.22 1gpx s VAL 17 Cb -0.10 -2.79 0.00 0.00 0.00 0.00 0.00 36.38 33.49 1gpx s VAL 17 CO -0.09 0.00 0.00 0.00 0.00 0.00 0.00 175.10 175.01 1gpx n ALA 18 N -2.04 0.00 -2.87 5.51 0.00 -1.26 0.27 120.51 120.13 1gpx n ALA 18 Ca 0.10 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.18 1gpx n ALA 18 Cb 0.60 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.94 1gpx n ALA 18 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1gpx s ASP 19 N 1.00 5.50 0.00 0.00 -1.08 -1.25 -2.75 116.67 118.09 1gpx s ASP 19 Ca 0.00 -0.06 0.00 0.00 -0.52 0.00 0.00 52.55 51.97 1gpx s ASP 19 Cb 0.00 -1.98 0.00 0.00 -1.46 0.00 0.00 42.92 39.48 1gpx s ASP 19 CO 0.00 0.03 0.00 0.61 0.52 0.00 0.00 175.17 176.33 1gpx n GLY 20 N 4.48 0.78 3.96 2.66 0.00 -1.24 -5.01 105.19 110.81 1gpx n GLY 20 Ca -0.16 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.00 2.96 0.33 1.61 1.01 -1.26 -4.87 120.40 118.19 1gpx s VAL 21 Ca 0.00 -1.13 0.09 0.00 0.00 0.00 0.00 61.98 60.94 1gpx s VAL 21 Cb 0.00 -3.03 -0.06 0.00 0.00 0.00 0.00 36.38 33.29 1gpx s VAL 21 CO 0.00 -0.01 -0.08 -0.94 0.00 0.00 0.00 175.10 174.07 1gpx s SER 22 N -4.25 3.48 0.43 3.32 1.04 -1.26 0.28 113.70 116.74 1gpx s SER 22 Ca 0.52 -1.21 0.14 0.00 0.48 0.00 0.00 55.95 55.88 1gpx s SER 22 Cb -0.08 -0.30 1.03 0.00 0.10 0.00 0.00 66.02 66.77 1gpx s SER 22 CO 0.31 -0.26 1.95 -0.07 0.98 0.00 0.00 173.24 176.16 1gpx h LEU 23 N 2.07 0.38 0.25 2.42 4.07 -1.67 -2.72 115.31 120.11 1gpx h LEU 23 Ca -0.42 0.01 -0.01 0.00 0.08 0.00 0.00 57.88 57.55 1gpx h LEU 23 Cb 1.25 -0.07 0.00 0.00 1.08 0.00 0.00 40.66 42.92 1gpx h LEU 23 CO 0.70 0.22 -0.12 -0.03 -1.08 0.00 0.00 178.44 178.13 1gpx h MET 24 N 0.42 -0.32 0.00 1.13 1.85 -1.61 -3.04 114.93 113.36 1gpx h MET 24 Ca 0.32 0.02 0.00 0.00 -0.61 0.00 0.00 59.70 59.43 1gpx h MET 24 Cb 0.66 0.07 0.00 0.00 0.43 0.00 0.00 31.60 32.76 1gpx h MET 24 CO -0.09 -0.21 0.00 0.94 -0.40 0.00 0.00 176.91 177.14 1gpx n GLN 25 N -3.38 0.00 -0.25 0.39 7.27 -1.04 0.34 117.38 120.72 1gpx n GLN 25 Ca -0.04 0.69 -0.08 0.00 0.07 0.00 0.00 57.00 57.64 1gpx n GLN 25 Cb 0.13 -1.14 -0.03 0.00 2.41 0.00 0.00 30.24 31.61 1gpx n GLN 25 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1gpx h ALA 26 N -1.33 -0.30 0.35 1.69 0.00 -1.70 -0.75 119.26 117.22 1gpx h ALA 26 Ca 0.00 0.13 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 1gpx h ALA 26 Cb 0.00 1.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.78 1gpx h ALA 26 CO 0.00 -0.82 -0.46 0.00 0.00 0.00 0.00 179.25 177.97 1gpx h ALA 27 N 0.69 -0.97 -0.34 0.00 0.00 -1.08 -1.51 119.26 116.05 1gpx h ALA 27 Ca 0.20 -0.14 0.03 0.00 0.00 0.00 0.00 54.91 55.00 1gpx h ALA 27 Cb 0.55 0.70 -0.04 0.00 0.00 0.00 0.00 17.79 19.00 1gpx h ALA 27 CO -0.76 -1.09 -0.20 0.28 0.00 0.00 0.00 179.25 177.48 1gpx n VAL 28 N -5.52 -0.23 -0.09 0.00 0.31 1.04 0.13 118.33 113.97 1gpx n VAL 28 Ca -0.10 1.17 -0.09 0.00 -0.01 0.00 0.00 64.34 65.31 1gpx n VAL 28 Cb 0.42 -1.48 -0.01 0.00 -0.91 0.00 0.00 33.84 31.86 1gpx n VAL 28 CO 0.00 0.00 0.00 -1.28 -1.32 0.00 0.00 176.83 174.23 1gpx h SER 29 N 0.00 0.33 0.00 4.52 0.87 -1.25 0.51 113.55 118.52 1gpx h SER 29 Ca 0.06 -0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.61 1gpx h SER 29 Cb 0.14 -0.07 0.00 0.00 -0.44 0.00 0.00 62.40 62.03 1gpx h SER 29 CO -0.32 0.24 0.01 0.59 -0.53 0.00 0.00 176.83 176.81 1gpx n ASN 30 N -4.89 0.00 0.00 6.23 3.02 0.34 -4.73 115.26 115.23 1gpx n ASN 30 Ca -0.01 0.48 0.00 0.00 -0.03 0.00 0.00 54.58 55.02 1gpx n ASN 30 Cb 0.04 -0.48 0.00 0.00 -0.61 0.00 0.00 39.78 38.73 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 -1.48 2.28 0.52 7.41 0.00 0.35 -4.86 105.19 109.42 1gpx n GLY 31 Ca 0.00 0.00 0.40 0.00 0.00 0.00 0.00 46.02 46.42 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 0.11 -2.31 -0.61 2.04 -1.35 -0.02 117.51 115.37 1gpx h ILE 32 Ca 0.00 -0.02 -0.74 0.00 1.00 0.00 0.00 64.86 65.10 1gpx h ILE 32 Cb 0.00 0.05 -0.32 0.00 -0.74 0.00 0.00 36.82 35.80 1gpx h ILE 32 CO 0.00 0.01 0.45 -1.22 0.00 0.00 0.00 178.15 177.39 1gpx n TYR 33 N -4.51 3.16 -0.49 1.37 4.01 -1.26 -4.84 117.16 114.61 1gpx n TYR 33 Ca 0.38 -3.06 -0.03 0.00 -0.16 0.00 0.00 57.90 55.04 1gpx n TYR 33 Cb 1.55 -0.96 -0.04 0.00 -0.31 0.00 0.00 39.34 39.57 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 0.01 3.83 -4.17 7.72 5.68 -0.02 -4.74 116.55 124.86 1gpx n ASP 34 Ca 0.40 -2.08 -0.32 0.00 -0.50 0.00 0.00 54.79 52.29 1gpx n ASP 34 Cb 0.31 -0.89 -0.17 0.00 -1.14 0.00 0.00 41.12 39.24 1gpx n ASP 34 CO 0.00 0.00 0.00 -0.51 -1.33 0.00 0.00 177.20 175.36 1gpx s ILE 35 N 0.90 1.98 -0.30 2.12 1.10 -1.26 -5.09 121.20 120.64 1gpx s ILE 35 Ca 0.17 -0.94 -0.29 0.00 -0.51 0.00 0.00 60.65 59.07 1gpx s ILE 35 Cb 0.08 -1.74 0.02 0.00 0.15 0.00 0.00 42.46 40.96 1gpx s ILE 35 CO 0.00 0.54 1.07 0.54 -2.11 0.00 0.00 174.94 174.98 1gpx s VAL 36 N 0.69 4.54 0.00 4.00 0.11 -1.26 -4.89 120.40 123.60 1gpx s VAL 36 Ca -0.11 1.80 0.00 0.00 -2.93 0.00 0.00 61.98 60.74 1gpx s VAL 36 Cb -0.16 -4.39 0.00 0.00 -1.53 0.00 0.00 36.38 30.29 1gpx s VAL 36 CO 0.01 -0.42 0.00 0.61 -3.33 0.00 0.00 175.10 171.98 1gpx n GLY 37 N 3.75 6.97 0.26 6.54 0.00 -1.26 -4.86 105.19 116.60 1gpx n GLY 37 Ca 0.12 -1.95 0.03 0.00 0.00 0.00 0.00 46.02 44.22 1gpx n GLY 37 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1gpx n ASP 38 N 0.00 1.81 -0.12 1.61 8.00 -1.03 -4.65 116.55 122.17 1gpx n ASP 38 Ca 0.00 -1.49 -0.13 0.00 0.71 0.00 0.00 54.79 53.88 1gpx n ASP 38 Cb 0.00 -0.04 -0.02 0.00 -0.02 0.00 0.00 41.12 41.04 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 0.09 -0.49 1.63 0.00 0.00 -1.26 0.23 105.19 105.39 1gpx n GLY 40 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.69 0.76 0.00 -0.02 0.00 -1.26 -4.95 105.19 99.03 1gpx n GLY 41 Ca -0.09 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.20 1gpx n GLY 41 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1gpx n SER 42 N 1.63 0.00 -2.11 1.61 2.88 0.62 -5.04 113.62 113.21 1gpx n SER 42 Ca 0.00 -1.00 -0.07 0.00 -1.33 0.00 0.00 58.87 56.47 1gpx n SER 42 Cb 0.48 0.00 0.04 0.00 -0.75 0.00 0.00 64.21 63.98 1gpx n SER 42 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1gpx n ALA 43 N 0.00 -1.02 -2.33 -1.46 0.00 -1.22 -4.96 120.51 109.52 1gpx n ALA 43 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.43 1gpx n ALA 43 Cb 0.43 -1.80 0.07 0.00 0.00 0.00 0.00 19.45 18.15 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 -2.02 1.94 -4.35 0.00 7.64 -1.26 -4.58 113.62 110.99 1gpx n SER 44 Ca -0.09 -2.69 -0.35 0.00 1.01 0.00 0.00 58.87 56.75 1gpx n SER 44 Cb 0.57 -0.40 -0.14 0.00 -1.01 0.00 0.00 64.21 63.22 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 4.52 2.50 -0.06 0.00 0.00 -1.25 -3.98 120.51 122.24 1gpx n ALA 46 Ca -0.18 -0.37 -0.10 0.00 0.00 0.00 0.00 53.44 52.79 1gpx n ALA 46 Cb 0.51 -1.05 -0.05 0.00 0.00 0.00 0.00 19.45 18.86 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 0.04 0.69 0.83 0.00 -2.24 -1.26 -4.24 114.28 108.09 1gpx n THR 47 Ca 0.10 -0.24 0.00 0.00 -2.27 0.00 0.00 64.05 61.64 1gpx n THR 47 Cb 0.20 -1.11 0.00 0.00 -2.10 0.00 0.00 70.33 67.32 1gpx n THR 47 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1gpx n HIS 49 N 0.06 0.70 -4.04 0.00 -0.00 -1.26 0.91 115.22 111.59 1gpx n HIS 49 Ca 0.00 0.81 -0.08 0.00 0.46 0.00 0.00 57.72 58.91 1gpx n HIS 49 Cb 0.18 -2.16 -0.10 0.00 -0.12 0.00 0.00 29.99 27.78 1gpx n HIS 49 CO 0.00 0.00 0.00 0.14 0.46 0.00 0.00 176.34 176.94 1gpx s VAL 50 N -0.66 0.21 -0.17 3.57 -7.23 0.42 -4.04 120.40 112.50 1gpx s VAL 50 Ca 0.68 -1.39 0.01 0.00 -1.81 0.00 0.00 61.98 59.47 1gpx s VAL 50 Cb -0.87 -0.94 0.01 0.00 0.56 0.00 0.00 36.38 35.14 1gpx s VAL 50 CO 0.56 -0.75 -0.19 -0.31 -0.31 0.00 0.00 175.10 174.10 1gpx s TYR 51 N -2.72 2.76 0.50 2.82 1.51 0.76 -1.25 117.35 121.73 1gpx s TYR 51 Ca -0.04 -1.44 0.09 0.00 -1.01 0.00 0.00 57.07 54.68 1gpx s TYR 51 Cb -0.01 -1.90 0.05 0.00 -0.11 0.00 0.00 41.96 40.00 1gpx s TYR 51 CO -0.05 -0.69 0.67 0.08 -1.11 0.00 0.00 175.55 174.45 1gpx s VAL 52 N 1.10 2.51 -0.06 0.71 1.01 -1.26 0.29 120.40 124.70 1gpx s VAL 52 Ca 0.00 -1.03 -0.14 0.00 0.00 0.00 0.00 61.98 60.82 1gpx s VAL 52 Cb -0.14 -2.53 -0.05 0.00 0.00 0.00 0.00 36.38 33.65 1gpx s VAL 52 CO -0.07 0.00 0.35 0.54 0.00 0.00 0.00 175.10 175.92 1gpx s ASN 53 N -4.50 6.67 0.54 3.32 2.20 -0.79 -4.86 114.94 117.53 1gpx s ASN 53 Ca 0.58 0.80 0.25 0.00 -0.94 0.00 0.00 52.86 53.55 1gpx s ASN 53 Cb -0.07 -2.21 0.87 0.00 -2.00 0.00 0.00 41.25 37.84 1gpx s ASN 53 CO 0.36 0.27 1.18 -1.84 -2.94 0.00 0.00 177.10 174.13 1gpx n GLU 54 N 2.32 0.01 -0.05 3.55 0.00 -1.26 0.08 120.64 125.29 1gpx n GLU 54 Ca -0.14 0.92 -0.14 0.00 0.00 0.00 0.00 57.16 57.80 1gpx n GLU 54 Cb 0.53 -2.29 -0.07 0.00 0.00 0.00 0.00 31.44 29.61 1gpx n GLU 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1gpx h ALA 55 N 0.50 0.24 -0.00 -1.84 0.00 -1.97 -3.24 119.26 112.95 1gpx h ALA 55 Ca 0.47 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1gpx h ALA 55 Cb 2.71 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 20.46 1gpx h ALA 55 CO -0.00 0.26 -0.90 1.19 0.00 0.00 0.00 179.25 179.79 1gpx n PHE 56 N -4.39 0.00 0.09 0.00 3.01 0.11 -4.12 117.46 112.17 1gpx n PHE 56 Ca -0.07 0.00 -0.13 0.00 1.01 0.00 0.00 57.45 58.27 1gpx n PHE 56 Cb 0.47 -0.02 -0.13 0.00 -0.01 0.00 0.00 39.48 39.79 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 0.25 1.56 0.00 4.37 1.35 -1.35 -2.50 112.91 116.59 1gpx h THR 57 Ca 0.00 -3.19 -0.12 0.00 -0.55 0.00 0.00 66.41 62.56 1gpx h THR 57 Cb 0.53 2.90 -0.02 0.00 -1.73 0.00 0.00 68.15 69.83 1gpx h THR 57 CO 0.00 0.92 -0.56 -2.24 -0.25 0.00 0.00 175.52 173.39 1gpx h ASP 58 N 0.05 0.00 0.00 5.36 2.03 -1.74 -3.32 116.42 118.80 1gpx h ASP 58 Ca -0.09 0.00 -0.00 0.00 -0.73 0.00 0.00 57.03 56.21 1gpx h ASP 58 Cb 1.90 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 40.40 1gpx h ASP 58 CO 0.17 0.56 -0.00 0.11 -1.03 0.00 0.00 179.24 179.05 1gpx h LYS 59 N 0.00 -0.00 -6.07 4.15 1.79 -1.71 -3.47 116.57 111.26 1gpx h LYS 59 Ca -0.01 0.00 -0.53 0.00 -2.18 0.00 0.00 60.65 57.94 1gpx h LYS 59 Cb 1.23 0.00 0.24 0.00 -1.58 0.00 0.00 32.23 32.12 1gpx h LYS 59 CO 0.07 0.62 -2.04 1.33 -1.08 0.00 0.00 179.45 178.36 1gpx n VAL 60 N -4.68 0.00 -0.93 0.50 0.24 -0.94 -4.87 118.33 107.65 1gpx n VAL 60 Ca -0.06 -0.32 -0.30 0.00 -2.04 0.00 0.00 64.34 61.62 1gpx n VAL 60 Cb 0.30 -0.06 0.15 0.00 -1.47 0.00 0.00 33.84 32.76 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 -2.15 1.21 -0.20 7.34 0.04 -1.26 -4.96 135.00 135.03 1gpx s PRO 61 Ca 0.40 1.24 -0.28 0.00 0.04 0.00 0.00 61.00 62.40 1gpx s PRO 61 Cb -0.09 -1.77 0.00 0.00 0.04 0.00 0.00 34.50 32.68 1gpx s PRO 61 CO 0.76 -2.39 0.99 0.00 0.04 0.00 0.00 177.00 176.40 1gpx s ALA 62 N -2.75 3.60 0.61 8.56 0.00 -1.26 -4.96 121.76 125.56 1gpx s ALA 62 Ca 0.65 0.18 -0.17 0.00 0.00 0.00 0.00 51.96 52.61 1gpx s ALA 62 Cb -0.20 -3.46 -0.03 0.00 0.00 0.00 0.00 23.12 19.43 1gpx s ALA 62 CO 0.58 -0.89 1.12 0.00 0.00 0.00 0.00 175.76 176.57 1gpx s ALA 63 N 2.78 2.57 0.18 0.00 0.00 -1.26 -5.05 121.76 120.98 1gpx s ALA 63 Ca 0.43 0.68 0.03 0.00 0.00 0.00 0.00 51.96 53.10 1gpx s ALA 63 Cb -0.16 -3.34 0.03 0.00 0.00 0.00 0.00 23.12 19.65 1gpx s ALA 63 CO 0.10 -1.06 0.25 0.27 0.00 0.00 0.00 175.76 175.32 1gpx n ASN 64 N -1.91 0.68 0.29 0.00 6.94 -1.26 -4.91 115.26 115.08 1gpx n ASN 64 Ca 0.11 -1.49 0.14 0.00 -0.02 0.00 0.00 54.58 53.33 1gpx n ASN 64 Cb 0.51 -0.13 0.77 0.00 -2.36 0.00 0.00 39.78 38.57 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 0.46 -3.83 -0.00 -2.00 -1.55 114.58 107.65 1gpx h GLU 65 Ca -0.09 0.00 -0.02 0.00 -0.00 0.00 0.00 59.36 59.25 1gpx h GLU 65 Cb 0.39 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.15 1gpx h GLU 65 CO 0.12 0.00 -0.22 -0.09 -0.00 0.00 0.00 179.01 178.82 1gpx h ARG 66 N 0.00 -0.59 0.00 1.06 1.12 -1.92 -2.37 114.38 111.68 1gpx h ARG 66 Ca 0.00 0.04 0.00 0.00 -1.11 0.00 0.00 59.98 58.91 1gpx h ARG 66 Cb 0.52 0.13 0.00 0.00 -0.01 0.00 0.00 29.97 30.61 1gpx h ARG 66 CO 0.00 -0.30 0.01 -1.91 -3.11 0.00 0.00 179.97 174.66 1gpx n GLU 67 N -5.27 0.00 0.05 0.20 0.00 -0.58 -1.50 120.64 113.54 1gpx n GLU 67 Ca -0.11 0.25 0.12 0.00 0.00 0.00 0.00 57.16 57.42 1gpx n GLU 67 Cb 0.30 -1.51 0.07 0.00 0.00 0.00 0.00 31.44 30.30 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 -1.24 0.33 0.00 6.31 -0.00 -0.89 -3.80 119.36 120.07 1gpx n ILE 68 Ca 0.00 -0.33 0.00 0.00 -0.00 0.00 0.00 62.75 62.42 1gpx n ILE 68 Cb 0.01 -0.04 0.00 0.00 -0.00 0.00 0.00 39.64 39.60 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 1.31 0.68 0.47 7.39 0.00 -0.56 -3.40 105.19 111.07 1gpx n GLY 69 Ca 0.02 0.00 0.29 0.00 0.00 0.00 0.00 46.02 46.33 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 0.00 0.20 0.00 1.61 -0.00 -1.84 2.20 114.93 117.09 1gpx h MET 70 Ca 0.00 -0.01 -0.05 0.00 -0.00 0.00 0.00 59.70 59.64 1gpx h MET 70 Cb 0.00 -0.04 -0.01 0.00 -0.00 0.00 0.00 31.60 31.55 1gpx h MET 70 CO 0.00 0.13 -0.24 1.25 -0.00 0.00 0.00 176.91 178.05 1gpx h LEU 71 N 0.20 0.00 0.00 -0.10 6.46 -1.74 -2.11 115.31 118.03 1gpx h LEU 71 Ca 0.61 0.00 -0.11 0.00 -0.12 0.00 0.00 57.88 58.26 1gpx h LEU 71 Cb 1.94 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 41.85 1gpx h LEU 71 CO -0.19 0.24 -1.29 1.21 -0.62 0.00 0.00 178.44 177.78 1gpx n GLU 72 N -4.16 0.62 -0.27 1.25 2.13 0.70 -4.08 120.64 116.83 1gpx n GLU 72 Ca -0.02 0.18 0.08 0.00 0.66 0.00 0.00 57.16 58.06 1gpx n GLU 72 Cb 0.30 -1.81 0.22 0.00 0.27 0.00 0.00 31.44 30.42 1gpx n GLU 72 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1gpx s VAL 74 N -6.00 5.09 -0.90 0.00 -7.23 -1.23 -4.94 120.40 105.20 1gpx s VAL 74 Ca -0.12 -2.63 -0.18 0.00 -1.81 0.00 0.00 61.98 57.24 1gpx s VAL 74 Cb 0.22 -4.88 -0.24 0.00 0.56 0.00 0.00 36.38 32.05 1gpx s VAL 74 CO 0.76 -1.58 2.32 1.07 -0.31 0.00 0.00 175.10 177.36 1gpx n THR 75 N 4.52 -0.01 -2.70 5.32 5.66 -1.03 -4.73 114.28 121.31 1gpx n THR 75 Ca 0.35 -0.47 -0.28 0.00 -3.05 0.00 0.00 64.05 60.60 1gpx n THR 75 Cb 0.43 -0.90 -0.02 0.00 -1.55 0.00 0.00 70.33 68.29 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 11.11 4.95 -4.31 1.79 0.00 -1.26 -4.90 120.51 127.89 1gpx n ALA 76 Ca 0.59 -4.53 -0.32 0.00 0.00 0.00 0.00 53.44 49.18 1gpx n ALA 76 Cb 0.25 -0.73 -0.10 0.00 0.00 0.00 0.00 19.45 18.88 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 -0.35 -0.91 0.00 0.00 0.00 -1.26 -4.56 120.64 113.56 1gpx n GLU 77 Ca 0.36 0.09 0.00 0.00 0.00 0.00 0.00 57.16 57.61 1gpx n GLU 77 Cb 0.50 -3.65 0.00 0.00 0.00 0.00 0.00 31.44 28.29 1gpx n GLU 77 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.13 177.02 1gpx n LEU 78 N -4.44 0.00 -5.00 -1.84 7.94 -1.26 -4.93 117.00 107.48 1gpx n LEU 78 Ca -0.26 0.00 -0.18 0.00 -1.11 0.00 0.00 56.01 54.46 1gpx n LEU 78 Cb 0.65 0.00 0.01 0.00 0.53 0.00 0.00 43.42 44.61 1gpx n LEU 78 CO 0.85 0.00 0.15 -0.54 -1.11 0.00 0.00 177.39 176.73 1gpx s LYS 79 N 0.00 2.76 0.41 1.96 -0.14 -1.26 -4.97 119.74 118.49 1gpx s LYS 79 Ca 0.00 -1.31 0.18 0.00 -1.36 0.00 0.00 55.97 53.48 1gpx s LYS 79 Cb 0.00 -2.71 0.87 0.00 -1.68 0.00 0.00 37.83 34.32 1gpx s LYS 79 CO 0.00 -0.31 1.86 -1.00 -0.76 0.00 0.00 175.35 175.14 1gpx h PRO 80 N 0.65 0.00 -0.01 -1.68 0.13 -2.00 -2.88 132.00 126.21 1gpx h PRO 80 Ca -0.39 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 1gpx h PRO 80 Cb 1.28 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.41 1gpx h PRO 80 CO 0.46 0.32 -0.33 0.27 -0.23 0.00 0.00 178.00 178.49 1gpx n ASN 81 N -3.84 1.63 -4.32 1.44 6.94 -1.26 -5.02 115.26 110.83 1gpx n ASN 81 Ca -0.01 -1.31 -0.34 0.00 -0.02 0.00 0.00 54.58 52.89 1gpx n ASN 81 Cb 0.40 0.47 0.09 0.00 -2.36 0.00 0.00 39.78 38.37 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 -0.12 -2.91 -3.62 0.53 7.64 -1.09 -4.27 113.62 109.78 1gpx n SER 82 Ca 0.07 0.35 -0.00 0.00 1.01 0.00 0.00 58.87 60.30 1gpx n SER 82 Cb 0.34 -1.09 -0.01 0.00 -1.01 0.00 0.00 64.21 62.44 1gpx n SER 82 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1gpx s ARG 83 N -3.00 0.41 0.15 1.43 0.52 -0.38 -4.92 118.95 113.17 1gpx s ARG 83 Ca 0.54 -0.21 -0.17 0.00 -0.52 0.00 0.00 55.73 55.37 1gpx s ARG 83 Cb -0.24 0.15 -0.07 0.00 0.52 0.00 0.00 34.95 35.31 1gpx s ARG 83 CO 0.69 -0.19 0.61 -1.17 0.02 0.00 0.00 175.30 175.26 1gpx s LEU 84 N -2.79 4.38 0.41 2.53 0.20 -1.26 0.16 118.68 122.31 1gpx s LEU 84 Ca 0.13 1.22 0.22 0.00 0.69 0.00 0.00 54.13 56.39 1gpx s LEU 84 Cb 0.03 -3.29 1.21 0.00 -0.43 0.00 0.00 46.19 43.71 1gpx s LEU 84 CO -0.04 0.12 1.72 0.77 -0.29 0.00 0.00 176.35 178.63 1gpx h SER 85 N 3.71 0.38 -0.70 3.68 4.64 0.27 0.15 113.55 125.68 1gpx h SER 85 Ca -0.49 0.11 -0.45 0.00 -0.47 0.00 0.00 61.79 60.49 1gpx h SER 85 Cb 1.20 0.05 -0.21 0.00 -0.31 0.00 0.00 62.40 63.13 1gpx h SER 85 CO 0.65 -0.01 0.58 0.00 -0.87 0.00 0.00 176.83 177.18 1gpx n GLN 87 N -0.32 0.00 -3.04 0.00 1.13 0.52 -3.37 117.38 112.31 1gpx n GLN 87 Ca 0.44 0.00 -0.34 0.00 -1.94 0.00 0.00 57.00 55.16 1gpx n GLN 87 Cb 0.80 -0.67 -0.06 0.00 0.11 0.00 0.00 30.24 30.41 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 -1.78 4.55 0.33 5.09 1.01 -1.25 -4.93 121.20 124.22 1gpx s ILE 88 Ca 0.00 1.22 0.08 0.00 0.00 0.00 0.00 60.65 61.95 1gpx s ILE 88 Cb 0.00 -3.71 -0.04 0.00 0.01 0.00 0.00 42.46 38.72 1gpx s ILE 88 CO 0.00 -0.07 0.14 -0.63 0.00 0.00 0.00 174.94 174.37 1gpx s ILE 89 N -1.86 3.19 -0.74 2.92 -1.09 -1.26 -3.22 121.20 119.13 1gpx s ILE 89 Ca 0.52 -1.68 -0.04 0.00 -2.23 0.00 0.00 60.65 57.22 1gpx s ILE 89 Cb -0.12 -3.00 0.19 0.00 -1.58 0.00 0.00 42.46 37.95 1gpx s ILE 89 CO 0.18 -0.21 0.60 -0.32 -1.23 0.00 0.00 174.94 173.95 1gpx s MET 90 N -3.83 2.94 0.84 2.79 1.75 0.81 -4.82 119.30 119.78 1gpx s MET 90 Ca 0.37 -2.78 -0.11 0.00 -1.25 0.00 0.00 55.69 51.91 1gpx s MET 90 Cb -0.04 -3.90 0.10 0.00 2.84 0.00 0.00 34.83 33.84 1gpx s MET 90 CO 0.23 -1.22 1.09 0.95 -0.65 0.00 0.00 175.02 175.42 1gpx s THR 91 N -0.48 2.94 -2.00 10.11 -4.23 -1.26 -3.65 115.64 117.06 1gpx s THR 91 Ca 0.21 0.31 0.25 0.00 -1.18 0.00 0.00 61.69 61.27 1gpx s THR 91 Cb -0.15 -2.83 0.71 0.00 1.34 0.00 0.00 72.50 71.57 1gpx s THR 91 CO -0.07 -0.40 1.87 -0.81 -0.54 0.00 0.00 174.62 174.67 1gpx n PRO 92 N -3.70 0.85 -0.01 3.99 -0.04 -1.26 -2.81 135.00 132.01 1gpx n PRO 92 Ca 0.08 0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.58 1gpx n PRO 92 Cb 0.55 -1.46 -0.08 0.00 -0.04 0.00 0.00 33.50 32.46 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 -0.96 0.59 -2.83 0.54 0.28 -1.26 -4.67 120.64 112.33 1gpx n GLU 93 Ca 0.19 -0.09 -0.39 0.00 -0.16 0.00 0.00 57.16 56.71 1gpx n GLU 93 Cb 0.09 -1.26 0.00 0.00 1.43 0.00 0.00 31.44 31.70 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 -1.94 6.50 -4.89 -1.84 4.77 -1.12 -5.01 117.00 113.46 1gpx n LEU 94 Ca -0.04 -5.39 -0.32 0.00 -0.03 0.00 0.00 56.01 50.23 1gpx n LEU 94 Cb 0.35 -1.08 -0.05 0.00 -2.33 0.00 0.00 43.42 40.31 1gpx n LEU 94 CO 0.23 2.00 -0.17 -0.62 -1.33 0.00 0.00 177.39 177.50 1gpx s ASP 95 N -1.83 6.28 0.00 -1.43 -1.08 -1.26 -4.32 116.67 113.03 1gpx s ASP 95 Ca 0.38 0.29 0.00 0.00 -0.52 0.00 0.00 52.55 52.71 1gpx s ASP 95 Cb 0.16 -1.94 0.00 0.00 -1.46 0.00 0.00 42.92 39.68 1gpx s ASP 95 CO -0.06 0.23 0.00 0.61 0.52 0.00 0.00 175.17 176.47 1gpx n GLY 96 N 0.74 1.47 3.67 2.66 0.00 0.25 -4.76 105.19 109.21 1gpx n GLY 96 Ca -0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.51 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 3.26 -0.33 -0.61 -1.16 -0.03 -4.84 121.20 115.49 1gpx s ILE 97 Ca 0.00 0.51 -0.14 0.00 -0.51 0.00 0.00 60.65 60.52 1gpx s ILE 97 Cb 0.00 -3.33 -0.02 0.00 0.61 0.00 0.00 42.46 39.72 1gpx s ILE 97 CO 0.00 -0.03 0.29 -0.69 -2.81 0.00 0.00 174.94 171.70 1gpx s VAL 98 N 3.46 5.24 0.35 4.00 1.01 -1.26 -0.08 120.40 133.12 1gpx s VAL 98 Ca 0.76 -0.04 0.05 0.00 0.00 0.00 0.00 61.98 62.74 1gpx s VAL 98 Cb -0.37 -3.74 0.05 0.00 0.00 0.00 0.00 36.38 32.32 1gpx s VAL 98 CO 0.32 -0.01 0.39 0.52 0.00 0.00 0.00 175.10 176.33 1gpx n VAL 99 N 5.15 0.00 -3.63 2.92 0.31 0.20 -1.88 118.33 121.39 1gpx n VAL 99 Ca -0.11 -1.26 -0.13 0.00 -0.01 0.00 0.00 64.34 62.83 1gpx n VAL 99 Cb 0.50 -0.48 -0.07 0.00 -0.91 0.00 0.00 33.84 32.88 1gpx n VAL 99 CO 0.00 0.00 0.00 -1.81 -1.32 0.00 0.00 176.83 173.70 1gpx s ASP 100 N -3.12 -0.68 -0.45 4.52 1.01 0.82 -2.53 116.67 116.23 1gpx s ASP 100 Ca 0.30 1.31 -0.18 0.00 0.71 0.00 0.00 52.55 54.68 1gpx s ASP 100 Cb -0.02 1.32 0.04 0.00 1.01 0.00 0.00 42.92 45.27 1gpx s ASP 100 CO 0.19 -0.22 0.50 -0.69 0.21 0.00 0.00 175.17 175.16 1gpx s VAL 101 N 0.37 5.02 -0.83 -1.27 1.01 0.84 0.27 120.40 125.81 1gpx s VAL 101 Ca 0.01 -0.45 -0.25 0.00 0.00 0.00 0.00 61.98 61.28 1gpx s VAL 101 Cb -0.05 -4.14 -0.06 0.00 0.00 0.00 0.00 36.38 32.13 1gpx s VAL 101 CO -0.01 -0.57 2.02 -2.16 0.00 0.00 0.00 175.10 174.38 1gpx s PRO 102 N 2.27 2.41 -0.35 2.72 0.04 -1.26 -1.59 135.00 139.23 1gpx s PRO 102 Ca 0.13 0.03 -0.06 0.00 0.04 0.00 0.00 61.00 61.14 1gpx s PRO 102 Cb -0.18 -4.90 0.05 0.00 0.04 0.00 0.00 34.50 29.51 1gpx s PRO 102 CO 0.13 -3.43 0.13 0.34 0.04 0.00 0.00 177.00 174.20 1gpx s ASP 103 N 8.61 5.30 -0.07 6.66 2.15 -1.26 -4.95 116.67 133.12 1gpx s ASP 103 Ca 0.74 -1.31 0.01 0.00 0.43 0.00 0.00 52.55 52.42 1gpx s ASP 103 Cb -0.09 -1.86 -0.03 0.00 -0.30 0.00 0.00 42.92 40.64 1gpx s ASP 103 CO 0.05 -0.37 -0.07 -0.13 -0.17 0.00 0.00 175.17 174.48 1gpx s ARG 104 N 1.36 2.75 0.00 4.34 3.00 -1.26 -4.93 118.95 124.21 1gpx s ARG 104 Ca -0.00 -0.55 0.00 0.00 0.00 0.00 0.00 55.73 55.18 1gpx s ARG 104 Cb -0.20 -2.59 0.00 0.00 0.00 0.00 0.00 34.95 32.15 1gpx s ARG 104 CO 0.01 0.66 0.64 1.04 0.00 0.00 0.00 175.30 177.66 1gpx n GLN 105 N 2.19 0.14 0.00 3.54 6.02 -1.26 -5.08 117.38 122.93 1gpx n GLN 105 Ca -0.18 -0.78 0.06 0.00 -0.01 0.00 0.00 57.00 56.09 1gpx n GLN 105 Cb 0.53 -1.00 0.34 0.00 1.02 0.00 0.00 30.24 31.13 1gpx n GLN 105 CO 0.00 0.00 0.00 0.91 -1.01 0.00 0.00 177.06 176.96