#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 3.74 -0.10 -1.46 2.20 -1.26 -1.79 119.74 121.07 1gpx s LYS 2 Ca 0.00 0.40 -0.01 0.00 -0.36 0.00 0.00 55.97 56.00 1gpx s LYS 2 Cb 0.00 -3.83 -0.03 0.00 -1.51 0.00 0.00 37.83 32.46 1gpx s LYS 2 CO 0.00 -0.98 -0.04 0.08 -0.36 0.00 0.00 175.35 174.04 1gpx s VAL 3 N 3.43 3.91 -0.08 4.02 1.01 0.17 -1.18 120.40 131.68 1gpx s VAL 3 Ca 0.36 -0.39 0.01 0.00 0.00 0.00 0.00 61.98 61.96 1gpx s VAL 3 Cb -0.12 -2.64 0.02 0.00 0.00 0.00 0.00 36.38 33.64 1gpx s VAL 3 CO 0.20 0.57 -0.07 -0.69 0.00 0.00 0.00 175.10 175.11 1gpx s VAL 4 N -0.49 0.86 -0.09 2.92 1.01 -0.12 0.29 120.40 124.78 1gpx s VAL 4 Ca 0.08 -0.25 -0.03 0.00 0.00 0.00 0.00 61.98 61.77 1gpx s VAL 4 Cb -0.12 -0.86 -0.04 0.00 0.00 0.00 0.00 36.38 35.36 1gpx s VAL 4 CO 0.02 0.32 0.04 -0.31 0.00 0.00 0.00 175.10 175.17 1gpx s TYR 5 N 1.23 3.28 0.22 5.22 2.02 0.99 0.27 117.35 130.58 1gpx s TYR 5 Ca -0.05 0.28 0.11 0.00 -0.37 0.00 0.00 57.07 57.04 1gpx s TYR 5 Cb -0.14 -1.82 -0.05 0.00 -0.40 0.00 0.00 41.96 39.55 1gpx s TYR 5 CO -0.02 0.54 -0.21 0.08 -1.57 0.00 0.00 175.55 174.37 1gpx s VAL 6 N -0.93 2.25 -0.03 0.71 1.01 -0.69 0.22 120.40 122.94 1gpx s VAL 6 Ca 0.14 -2.17 0.06 0.00 0.00 0.00 0.00 61.98 60.01 1gpx s VAL 6 Cb -0.12 -2.13 -0.02 0.00 0.00 0.00 0.00 36.38 34.11 1gpx s VAL 6 CO 0.03 -0.30 -0.19 -0.94 0.00 0.00 0.00 175.10 173.70 1gpx s SER 7 N -3.04 3.66 0.66 3.32 1.04 0.58 0.22 113.70 120.14 1gpx s SER 7 Ca 0.23 -0.32 0.19 0.00 0.48 0.00 0.00 55.95 56.54 1gpx s SER 7 Cb -0.06 -0.64 1.02 0.00 0.10 0.00 0.00 66.02 66.44 1gpx s SER 7 CO 0.11 0.33 1.57 1.12 0.98 0.00 0.00 173.24 177.35 1gpx h HIS 8 N 5.31 0.00 -0.01 5.02 2.07 -1.86 2.12 115.15 127.79 1gpx h HIS 8 Ca -0.45 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.07 1gpx h HIS 8 Cb 1.14 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.12 1gpx h HIS 8 CO 0.46 0.00 -0.19 -0.40 -3.07 0.00 0.00 177.93 174.73 1gpx n ASP 9 N -2.84 1.10 0.00 3.10 5.68 -1.26 -4.94 116.55 117.39 1gpx n ASP 9 Ca 0.01 -1.01 0.00 0.00 -0.50 0.00 0.00 54.79 53.29 1gpx n ASP 9 Cb 0.68 0.09 0.00 0.00 -1.14 0.00 0.00 41.12 40.75 1gpx n ASP 9 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1gpx n GLY 10 N 1.30 2.51 3.60 6.12 0.00 0.72 -5.06 105.19 114.37 1gpx n GLY 10 Ca 0.14 -0.61 -0.49 0.00 0.00 0.00 0.00 46.02 45.05 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 0.52 -4.21 2.61 -1.04 -1.25 -4.29 114.28 106.62 1gpx n THR 11 Ca 0.00 -0.13 -0.18 0.00 -2.04 0.00 0.00 64.05 61.70 1gpx n THR 11 Cb 0.00 -0.93 -0.11 0.00 -1.82 0.00 0.00 70.33 67.47 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 0.01 0.93 0.20 -2.82 0.52 -1.26 0.22 118.95 116.75 1gpx s ARG 12 Ca 0.77 -1.13 0.04 0.00 -0.52 0.00 0.00 55.73 54.90 1gpx s ARG 12 Cb -0.86 -0.83 -0.05 0.00 0.52 0.00 0.00 34.95 33.73 1gpx s ARG 12 CO 0.49 0.16 -0.04 -0.98 0.02 0.00 0.00 175.30 174.95 1gpx s ARG 13 N -2.35 1.25 -0.10 3.54 3.03 0.60 -4.89 118.95 120.03 1gpx s ARG 13 Ca 0.05 -1.60 -0.00 0.00 2.03 0.00 0.00 55.73 56.20 1gpx s ARG 13 Cb -0.06 -0.67 0.02 0.00 -1.03 0.00 0.00 34.95 33.21 1gpx s ARG 13 CO 0.02 -0.02 -0.06 -1.21 -1.13 0.00 0.00 175.30 172.90 1gpx s GLU 14 N -3.81 1.36 0.02 3.89 2.02 -1.26 0.33 118.70 121.25 1gpx s GLU 14 Ca 0.24 -0.20 0.03 0.00 0.02 0.00 0.00 54.97 55.07 1gpx s GLU 14 Cb 0.04 -1.45 -0.04 0.00 0.10 0.00 0.00 34.13 32.79 1gpx s GLU 14 CO 0.06 -0.25 -0.04 -0.51 0.02 0.00 0.00 175.26 174.54 1gpx s LEU 15 N 1.67 3.32 -0.77 1.80 1.43 0.82 -4.91 118.68 122.03 1gpx s LEU 15 Ca 0.03 -0.12 -0.15 0.00 -1.03 0.00 0.00 54.13 52.87 1gpx s LEU 15 Cb -0.13 -1.93 0.20 0.00 0.03 0.00 0.00 46.19 44.36 1gpx s LEU 15 CO -0.07 0.26 0.72 -1.81 0.23 0.00 0.00 176.35 175.69 1gpx s ASP 16 N -1.63 6.65 0.46 2.29 1.11 -1.26 0.43 116.67 124.72 1gpx s ASP 16 Ca 0.19 -2.49 0.07 0.00 0.18 0.00 0.00 52.55 50.50 1gpx s ASP 16 Cb -0.11 -2.22 0.02 0.00 1.07 0.00 0.00 42.92 41.68 1gpx s ASP 16 CO 0.10 -0.64 0.63 -0.69 1.18 0.00 0.00 175.17 175.74 1gpx s VAL 17 N 0.52 2.87 0.00 -1.27 1.01 -0.74 -4.87 120.40 117.93 1gpx s VAL 17 Ca 0.15 -0.94 0.00 0.00 0.00 0.00 0.00 61.98 61.19 1gpx s VAL 17 Cb -0.14 -2.93 0.00 0.00 0.00 0.00 0.00 36.38 33.31 1gpx s VAL 17 CO -0.06 0.00 0.00 0.00 0.00 0.00 0.00 175.10 175.04 1gpx n ALA 18 N -1.98 0.00 -2.83 5.51 0.00 -1.26 0.26 120.51 120.21 1gpx n ALA 18 Ca 0.09 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.16 1gpx n ALA 18 Cb 0.59 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.93 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 0.97 5.58 0.00 0.00 -1.08 -1.26 -4.24 116.67 116.63 1gpx s ASP 19 Ca 0.00 -0.09 0.00 0.00 -0.52 0.00 0.00 52.55 51.94 1gpx s ASP 19 Cb 0.00 -2.01 0.00 0.00 -1.46 0.00 0.00 42.92 39.45 1gpx s ASP 19 CO 0.00 -0.02 0.00 0.61 0.52 0.00 0.00 175.17 176.28 1gpx n GLY 20 N 4.81 1.05 3.86 2.66 0.00 -0.78 -4.96 105.19 111.83 1gpx n GLY 20 Ca -0.15 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.62 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 2.06 0.38 1.61 1.01 -1.25 -4.87 120.40 117.35 1gpx s VAL 21 Ca 0.00 -1.50 0.00 0.00 0.00 0.00 0.00 61.98 60.48 1gpx s VAL 21 Cb 0.00 -2.57 -0.00 0.00 0.00 0.00 0.00 36.38 33.81 1gpx s VAL 21 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 175.10 173.56 1gpx n SER 22 N -1.58 3.05 0.08 3.32 3.41 -1.26 0.34 113.62 120.97 1gpx n SER 22 Ca -0.00 -2.68 0.13 0.00 -0.26 0.00 0.00 58.87 56.05 1gpx n SER 22 Cb 0.64 0.27 0.46 0.00 -0.26 0.00 0.00 64.21 65.32 1gpx n SER 22 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1gpx n LEU 23 N 0.00 0.55 0.00 1.04 4.32 -1.23 -4.08 117.00 117.59 1gpx n LEU 23 Ca -0.16 0.57 0.00 0.00 -0.02 0.00 0.00 56.01 56.40 1gpx n LEU 23 Cb 0.49 -0.41 0.00 0.00 -1.62 0.00 0.00 43.42 41.87 1gpx n LEU 23 CO 0.26 -0.20 0.00 0.80 -1.22 0.00 0.00 177.39 177.03 1gpx n MET 24 N -2.03 0.00 -0.15 3.23 1.56 -0.72 -2.99 117.12 116.03 1gpx n MET 24 Ca 0.05 0.16 0.22 0.00 -0.27 0.00 0.00 57.70 57.86 1gpx n MET 24 Cb 0.36 -0.57 0.33 0.00 2.15 0.00 0.00 33.22 35.50 1gpx n MET 24 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 1gpx n GLN 25 N -1.81 0.01 -0.07 2.12 0.00 -1.26 0.33 117.38 116.71 1gpx n GLN 25 Ca 0.00 0.85 -0.22 0.00 0.00 0.00 0.00 57.00 57.63 1gpx n GLN 25 Cb 0.00 -2.13 -0.12 0.00 0.00 0.00 0.00 30.24 27.99 1gpx n GLN 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1gpx n ALA 26 N -2.03 0.87 0.23 2.61 0.00 -1.26 -3.38 120.51 117.54 1gpx n ALA 26 Ca 0.18 -0.59 -0.15 0.00 0.00 0.00 0.00 53.44 52.88 1gpx n ALA 26 Cb 1.26 -0.53 -0.08 0.00 0.00 0.00 0.00 19.45 20.09 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 -0.33 -0.53 -0.80 0.00 0.00 0.30 0.17 119.26 118.07 1gpx h ALA 27 Ca -0.41 -0.14 0.07 0.00 0.00 0.00 0.00 54.91 54.43 1gpx h ALA 27 Cb 1.59 0.21 -0.10 0.00 0.00 0.00 0.00 17.79 19.49 1gpx h ALA 27 CO -0.13 -0.75 -0.47 0.28 0.00 0.00 0.00 179.25 178.18 1gpx n VAL 28 N -5.28 -0.54 -0.18 0.00 0.31 1.01 1.00 118.33 114.64 1gpx n VAL 28 Ca -0.11 1.96 -0.09 0.00 -0.01 0.00 0.00 64.34 66.09 1gpx n VAL 28 Cb 0.25 -2.43 0.01 0.00 -0.91 0.00 0.00 33.84 30.76 1gpx n VAL 28 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 1gpx h SER 29 N 0.00 0.81 0.06 4.52 0.02 -1.53 -1.03 113.55 116.41 1gpx h SER 29 Ca 0.13 -0.26 0.00 0.00 -0.84 0.00 0.00 61.79 60.82 1gpx h SER 29 Cb 0.33 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 62.65 1gpx h SER 29 CO -0.75 0.87 0.00 0.59 -1.14 0.00 0.00 176.83 176.40 1gpx n ASN 30 N -4.40 0.00 0.00 3.07 3.02 0.28 -4.77 115.26 112.46 1gpx n ASN 30 Ca 0.01 0.03 0.00 0.00 -0.03 0.00 0.00 54.58 54.60 1gpx n ASN 30 Cb 0.26 -0.16 0.00 0.00 -0.61 0.00 0.00 39.78 39.26 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 -0.72 3.15 0.36 7.41 0.00 0.27 -4.85 105.19 110.81 1gpx n GLY 31 Ca 0.04 0.00 0.30 0.00 0.00 0.00 0.00 46.02 46.36 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 0.13 -2.43 -0.61 2.04 -1.32 -1.81 117.51 113.51 1gpx h ILE 32 Ca 0.00 -0.04 -0.68 0.00 1.00 0.00 0.00 64.86 65.13 1gpx h ILE 32 Cb 0.00 -0.01 -0.36 0.00 -0.74 0.00 0.00 36.82 35.71 1gpx h ILE 32 CO 0.00 0.02 -0.00 -1.22 0.00 0.00 0.00 178.15 176.95 1gpx n TYR 33 N -5.06 3.18 -0.65 1.37 4.01 -1.23 -4.81 117.16 113.98 1gpx n TYR 33 Ca 0.36 -3.48 -0.13 0.00 -0.16 0.00 0.00 57.90 54.49 1gpx n TYR 33 Cb 1.22 -0.83 0.04 0.00 -0.31 0.00 0.00 39.34 39.46 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 0.73 5.72 -3.02 7.72 5.75 -0.68 -4.73 116.55 128.05 1gpx n ASP 34 Ca 0.31 -2.89 0.00 0.00 -0.01 0.00 0.00 54.79 52.20 1gpx n ASP 34 Cb 0.37 -0.99 0.00 0.00 -1.03 0.00 0.00 41.12 39.47 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 0.42 0.00 -1.37 2.12 -6.64 -1.26 -5.07 119.36 107.56 1gpx n ILE 35 Ca 0.24 0.00 -0.12 0.00 -1.77 0.00 0.00 62.75 61.10 1gpx n ILE 35 Cb 0.64 -1.73 0.09 0.00 -1.44 0.00 0.00 39.64 37.19 1gpx n ILE 35 CO 0.00 0.00 0.00 0.52 -1.77 0.00 0.00 176.55 175.30 1gpx n VAL 36 N -0.01 0.00 -3.62 7.28 0.31 -1.26 -5.01 118.33 116.02 1gpx n VAL 36 Ca 0.00 -0.40 -0.37 0.00 -0.01 0.00 0.00 64.34 63.55 1gpx n VAL 36 Cb 0.00 -1.79 -0.07 0.00 -0.91 0.00 0.00 33.84 31.07 1gpx n VAL 36 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 1gpx s GLY 37 N -4.19 2.90 -0.00 2.92 0.00 -1.26 -4.74 107.32 102.94 1gpx s GLY 37 Ca 0.31 -3.64 0.00 0.00 0.00 0.00 0.00 44.72 41.39 1gpx s GLY 37 CO 0.22 1.18 0.00 1.34 0.00 0.00 0.00 173.10 175.84 1gpx n ASP 38 N 2.79 3.51 -0.06 1.64 -0.08 -1.26 -4.79 116.55 118.29 1gpx n ASP 38 Ca 0.17 -0.15 -0.10 0.00 -1.51 0.00 0.00 54.79 53.20 1gpx n ASP 38 Cb 0.38 1.00 -0.06 0.00 2.34 0.00 0.00 41.12 44.79 1gpx n ASP 38 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1gpx n GLY 40 N 2.71 -0.47 1.98 0.00 0.00 -1.26 0.26 105.19 108.41 1gpx n GLY 40 Ca -0.23 0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.97 0.39 0.00 -0.02 0.00 -1.26 -4.92 105.19 98.41 1gpx n GLY 41 Ca 0.00 -0.88 0.00 0.00 0.00 0.00 0.00 46.02 45.14 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 1.98 0.18 -2.02 1.61 2.88 0.73 -5.05 113.62 113.92 1gpx n SER 42 Ca 0.00 -0.52 -0.05 0.00 -1.33 0.00 0.00 58.87 56.97 1gpx n SER 42 Cb 0.50 0.39 0.03 0.00 -0.75 0.00 0.00 64.21 64.37 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 -0.39 -1.05 -2.47 -1.46 0.00 -1.24 -4.98 120.51 108.92 1gpx n ALA 43 Ca 0.00 0.03 -0.04 0.00 0.00 0.00 0.00 53.44 53.43 1gpx n ALA 43 Cb 0.03 -2.01 0.05 0.00 0.00 0.00 0.00 19.45 17.53 1gpx n ALA 43 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1gpx n SER 44 N -1.99 2.22 -4.61 0.00 2.88 -1.23 -4.59 113.62 106.30 1gpx n SER 44 Ca -0.04 -2.59 -0.30 0.00 -1.33 0.00 0.00 58.87 54.61 1gpx n SER 44 Cb 0.54 -0.42 -0.09 0.00 -0.75 0.00 0.00 64.21 63.50 1gpx n SER 44 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1gpx n ALA 46 N 0.64 2.42 -0.06 0.00 0.00 -1.26 -4.51 120.51 117.74 1gpx n ALA 46 Ca -0.13 -0.71 -0.07 0.00 0.00 0.00 0.00 53.44 52.54 1gpx n ALA 46 Cb 0.52 -0.40 -0.07 0.00 0.00 0.00 0.00 19.45 19.50 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 0.63 0.71 1.79 0.00 -2.24 -1.26 -4.47 114.28 109.45 1gpx n THR 47 Ca 0.08 -0.36 0.03 0.00 -2.27 0.00 0.00 64.05 61.52 1gpx n THR 47 Cb 0.32 -0.83 0.16 0.00 -2.10 0.00 0.00 70.33 67.88 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 -0.60 0.23 -3.64 0.00 -0.00 -1.26 0.83 115.22 110.79 1gpx n HIS 49 Ca 0.04 0.43 -0.09 0.00 0.46 0.00 0.00 57.72 58.55 1gpx n HIS 49 Cb 0.02 -2.06 -0.02 0.00 -0.12 0.00 0.00 29.99 27.81 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 -1.63 0.00 -0.16 3.57 -7.23 0.38 -3.96 120.40 111.37 1gpx s VAL 50 Ca 0.73 -0.48 0.01 0.00 -1.81 0.00 0.00 61.98 60.43 1gpx s VAL 50 Cb -0.41 -1.49 0.01 0.00 0.56 0.00 0.00 36.38 35.05 1gpx s VAL 50 CO 0.50 0.00 -0.19 -0.31 -0.31 0.00 0.00 175.10 174.79 1gpx s TYR 51 N -3.80 2.75 0.22 2.82 1.51 1.13 0.61 117.35 122.60 1gpx s TYR 51 Ca 0.06 -1.37 -0.07 0.00 -1.01 0.00 0.00 57.07 54.69 1gpx s TYR 51 Cb -0.03 -1.89 -0.06 0.00 -0.11 0.00 0.00 41.96 39.87 1gpx s TYR 51 CO -0.03 -0.65 0.50 0.08 -1.11 0.00 0.00 175.55 174.33 1gpx s VAL 52 N 1.04 5.03 0.06 0.71 1.01 -1.24 0.82 120.40 127.83 1gpx s VAL 52 Ca -0.01 0.19 -0.30 0.00 0.00 0.00 0.00 61.98 61.86 1gpx s VAL 52 Cb -0.14 -3.66 -0.05 0.00 0.00 0.00 0.00 36.38 32.52 1gpx s VAL 52 CO -0.06 -0.12 1.16 0.54 0.00 0.00 0.00 175.10 176.61 1gpx s ASN 53 N -2.66 7.14 0.44 3.32 6.03 0.20 -4.70 114.94 124.72 1gpx s ASN 53 Ca 0.44 1.97 0.31 0.00 -1.03 0.00 0.00 52.86 54.56 1gpx s ASN 53 Cb -0.11 -2.58 1.08 0.00 -3.03 0.00 0.00 41.25 36.60 1gpx s ASN 53 CO 0.25 -0.41 1.11 -1.84 -2.03 0.00 0.00 177.10 174.18 1gpx n GLU 54 N 3.76 0.00 0.25 3.55 0.28 -1.26 0.13 120.64 127.35 1gpx n GLU 54 Ca 0.08 0.81 0.17 0.00 -0.16 0.00 0.00 57.16 58.06 1gpx n GLU 54 Cb 0.47 -1.93 0.78 0.00 1.43 0.00 0.00 31.44 32.18 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 0.61 1.00 0.00 -1.84 0.00 -1.96 -2.87 119.26 114.21 1gpx h ALA 55 Ca 0.58 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.49 1gpx h ALA 55 Cb 2.65 0.00 0.00 0.00 0.00 0.00 0.00 17.79 20.44 1gpx h ALA 55 CO -0.01 0.00 -0.10 1.19 0.00 0.00 0.00 179.25 180.34 1gpx n PHE 56 N -2.78 0.00 -0.07 0.00 3.01 0.35 -4.54 117.46 113.42 1gpx n PHE 56 Ca -0.00 0.00 -0.13 0.00 1.01 0.00 0.00 57.45 58.32 1gpx n PHE 56 Cb 0.19 0.00 -0.12 0.00 -0.01 0.00 0.00 39.48 39.54 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 1.56 0.00 4.37 1.35 -1.41 -1.84 112.91 116.93 1gpx h THR 57 Ca 0.00 -2.21 -0.00 0.00 -0.55 0.00 0.00 66.41 63.65 1gpx h THR 57 Cb 0.00 2.99 -0.00 0.00 -1.73 0.00 0.00 68.15 69.41 1gpx h THR 57 CO 0.00 0.53 -0.01 -2.24 -0.25 0.00 0.00 175.52 173.55 1gpx h ASP 58 N -1.00 0.00 0.02 5.36 3.04 -1.77 -2.65 116.42 119.42 1gpx h ASP 58 Ca -0.03 0.00 -0.00 0.00 -3.24 0.00 0.00 57.03 53.76 1gpx h ASP 58 Cb 0.94 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.23 1gpx h ASP 58 CO -0.02 0.01 -0.01 0.11 -2.04 0.00 0.00 179.24 177.29 1gpx h LYS 59 N 0.00 -0.02 -6.73 4.15 1.79 -1.76 -3.45 116.57 110.54 1gpx h LYS 59 Ca -0.00 0.00 -0.51 0.00 -2.18 0.00 0.00 60.65 57.96 1gpx h LYS 59 Cb 0.12 0.01 0.01 0.00 -1.58 0.00 0.00 32.23 30.79 1gpx h LYS 59 CO 0.00 0.35 0.46 0.54 -1.08 0.00 0.00 179.45 179.72 1gpx s VAL 60 N -1.93 3.74 0.85 0.50 0.11 -0.70 -5.01 120.40 117.96 1gpx s VAL 60 Ca -0.07 1.63 -0.10 0.00 -2.93 0.00 0.00 61.98 60.50 1gpx s VAL 60 Cb -0.01 -4.04 0.11 0.00 -1.53 0.00 0.00 36.38 30.91 1gpx s VAL 60 CO 0.27 0.34 1.13 -2.16 -3.33 0.00 0.00 175.10 171.35 1gpx s PRO 61 N -0.93 1.55 0.00 1.54 0.04 -1.26 -4.76 135.00 131.18 1gpx s PRO 61 Ca 0.46 1.41 0.00 0.00 0.04 0.00 0.00 61.00 62.91 1gpx s PRO 61 Cb -0.30 -1.80 0.00 0.00 0.04 0.00 0.00 34.50 32.44 1gpx s PRO 61 CO 0.37 -2.21 0.00 0.00 0.04 0.00 0.00 177.00 175.20 1gpx n ALA 62 N -3.89 0.00 -3.45 8.56 0.00 -1.26 -4.81 120.51 115.66 1gpx n ALA 62 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.55 1gpx n ALA 62 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.97 1gpx n ALA 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1gpx n ALA 63 N -3.00 0.00 -2.01 0.00 0.00 -1.26 -4.96 120.51 109.28 1gpx n ALA 63 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1gpx n ALA 63 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1gpx n ALA 63 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1gpx n ASN 64 N -1.76 0.00 0.16 0.00 0.23 -1.26 -4.95 115.26 107.68 1gpx n ASN 64 Ca 0.00 0.00 0.05 0.00 -0.53 0.00 0.00 54.58 54.10 1gpx n ASN 64 Cb 0.00 0.00 0.06 0.00 -2.08 0.00 0.00 39.78 37.76 1gpx n ASN 64 CO 0.00 0.00 0.00 1.05 -0.93 0.00 0.00 177.26 177.38 1gpx h GLU 65 N 0.00 0.00 0.08 -3.83 -0.00 -2.01 -3.31 114.58 105.50 1gpx h GLU 65 Ca 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 59.36 59.36 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 0.38 -0.04 -0.09 -0.00 0.00 0.00 179.01 179.26 1gpx h ARG 66 N 0.00 -0.10 0.00 1.06 2.43 -1.94 -1.96 114.38 113.87 1gpx h ARG 66 Ca -0.00 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1gpx h ARG 66 Cb 1.29 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.87 1gpx h ARG 66 CO 0.05 0.15 0.01 -1.91 -1.51 0.00 0.00 179.97 176.76 1gpx n GLU 67 N -5.02 0.04 0.07 0.20 4.07 -1.25 -0.43 120.64 118.32 1gpx n GLU 67 Ca -0.08 0.53 0.12 0.00 -0.06 0.00 0.00 57.16 57.67 1gpx n GLU 67 Cb 0.16 -1.65 0.09 0.00 -0.06 0.00 0.00 31.44 29.98 1gpx n GLU 67 CO 0.00 0.00 0.00 0.82 -0.06 0.00 0.00 177.13 177.89 1gpx h ILE 68 N 0.00 0.00 0.00 6.31 5.03 -1.46 -3.25 117.51 124.15 1gpx h ILE 68 Ca 0.00 -0.66 0.00 0.00 -0.12 0.00 0.00 64.86 64.08 1gpx h ILE 68 Cb 0.03 1.16 0.00 0.00 -3.03 0.00 0.00 36.82 34.98 1gpx h ILE 68 CO 0.00 0.00 -0.35 0.61 -0.68 0.00 0.00 178.15 177.73 1gpx n GLY 69 N 1.29 -0.80 0.24 5.37 0.00 0.42 -1.91 105.19 109.80 1gpx n GLY 69 Ca 0.02 -0.12 0.01 0.00 0.00 0.00 0.00 46.02 45.93 1gpx n GLY 69 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1gpx h MET 70 N -0.67 0.08 -0.13 1.61 2.86 -1.75 0.50 114.93 117.44 1gpx h MET 70 Ca 0.00 -0.01 -0.07 0.00 -2.06 0.00 0.00 59.70 57.57 1gpx h MET 70 Cb 0.35 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.98 1gpx h MET 70 CO 0.00 0.06 -0.23 1.25 1.06 0.00 0.00 176.91 179.04 1gpx h LEU 71 N 0.09 0.22 -0.30 1.22 6.46 -1.75 -2.88 115.31 118.37 1gpx h LEU 71 Ca 0.33 -0.06 -0.13 0.00 -0.12 0.00 0.00 57.88 57.90 1gpx h LEU 71 Cb 0.53 -0.06 -0.00 0.00 -0.73 0.00 0.00 40.66 40.40 1gpx h LEU 71 CO -0.57 0.46 -0.33 -0.08 -0.62 0.00 0.00 178.44 177.31 1gpx h GLU 72 N 0.20 0.75 -0.92 1.25 4.81 0.61 -3.08 114.58 118.21 1gpx h GLU 72 Ca 0.03 -0.41 0.20 0.00 -0.13 0.00 0.00 59.36 59.06 1gpx h GLU 72 Cb 0.53 0.02 -0.12 0.00 0.63 0.00 0.00 28.75 29.82 1gpx h GLU 72 CO 0.04 1.03 0.46 0.00 -0.73 0.00 0.00 179.01 179.81 1gpx n VAL 74 N -4.94 4.97 -1.53 0.00 0.24 -1.16 -4.94 118.33 110.97 1gpx n VAL 74 Ca 0.22 -4.39 -0.19 0.00 -2.04 0.00 0.00 64.34 57.94 1gpx n VAL 74 Cb 0.61 -2.16 -0.15 0.00 -1.47 0.00 0.00 33.84 30.67 1gpx n VAL 74 CO 0.00 0.00 0.00 1.07 -2.14 0.00 0.00 176.83 175.76 1gpx n THR 75 N 2.20 -0.00 -3.47 3.34 5.66 -0.78 -4.78 114.28 116.44 1gpx n THR 75 Ca 0.55 -0.49 -0.26 0.00 -3.05 0.00 0.00 64.05 60.79 1gpx n THR 75 Cb 0.28 -1.02 -0.09 0.00 -1.55 0.00 0.00 70.33 67.95 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 12.04 3.19 -4.07 1.79 0.00 -1.26 -4.70 120.51 127.49 1gpx n ALA 76 Ca 0.57 -3.94 -0.45 0.00 0.00 0.00 0.00 53.44 49.63 1gpx n ALA 76 Cb 0.28 -0.87 0.02 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 1.76 -0.28 -1.66 0.00 0.28 -1.26 -4.72 120.64 114.76 1gpx n GLU 77 Ca 0.25 0.06 -0.43 0.00 -0.16 0.00 0.00 57.16 56.88 1gpx n GLU 77 Cb 0.44 -2.28 -0.03 0.00 1.43 0.00 0.00 31.44 31.00 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 -4.84 4.04 0.00 -1.84 7.94 -1.26 -4.98 117.00 116.06 1gpx n LEU 78 Ca -0.12 0.91 0.00 0.00 -1.11 0.00 0.00 56.01 55.70 1gpx n LEU 78 Cb 0.54 -1.50 0.00 0.00 0.53 0.00 0.00 43.42 42.99 1gpx n LEU 78 CO 0.71 0.16 0.00 0.29 -1.11 0.00 0.00 177.39 177.44 1gpx n LYS 79 N 7.38 1.84 0.13 1.96 5.02 -1.26 -4.96 118.16 128.27 1gpx n LYS 79 Ca 0.21 0.00 -0.00 0.00 -2.02 0.00 0.00 58.31 56.49 1gpx n LYS 79 Cb 0.39 0.00 0.14 0.00 -0.02 0.00 0.00 35.03 35.53 1gpx n LYS 79 CO 0.00 0.00 0.00 -1.00 -0.52 0.00 0.00 177.40 175.88 1gpx h PRO 80 N 0.00 0.00 0.00 1.97 0.13 -1.99 -3.21 132.00 128.90 1gpx h PRO 80 Ca 0.00 0.00 -0.22 0.00 -0.87 0.00 0.00 66.00 64.91 1gpx h PRO 80 Cb 0.00 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.09 1gpx h PRO 80 CO 0.00 0.62 -1.36 -2.95 -0.23 0.00 0.00 178.00 174.08 1gpx h ASN 81 N 0.00 0.00 -0.91 1.44 -1.07 -1.93 -3.45 115.58 109.66 1gpx h ASN 81 Ca -0.01 0.00 -0.61 0.00 0.07 0.00 0.00 56.30 55.76 1gpx h ASN 81 Cb 1.22 0.00 -0.03 0.00 -2.07 0.00 0.00 38.32 37.45 1gpx h ASN 81 CO 0.08 0.82 1.52 -1.20 0.07 0.00 0.00 177.43 178.72 1gpx n SER 82 N -3.08 1.74 -3.92 6.14 7.64 -1.21 -3.66 113.62 117.27 1gpx n SER 82 Ca -0.10 0.22 -0.12 0.00 1.01 0.00 0.00 58.87 59.88 1gpx n SER 82 Cb 0.94 -1.24 -0.07 0.00 -1.01 0.00 0.00 64.21 62.83 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 7.09 1.48 0.09 1.43 6.06 0.20 -4.75 118.95 130.54 1gpx s ARG 83 Ca 1.13 -1.53 -0.25 0.00 -2.50 0.00 0.00 55.73 52.57 1gpx s ARG 83 Cb -0.85 0.38 -0.06 0.00 0.06 0.00 0.00 34.95 34.47 1gpx s ARG 83 CO 0.46 -0.56 0.78 -0.51 -2.50 0.00 0.00 175.30 172.96 1gpx s LEU 84 N -3.13 4.50 0.56 -0.88 1.43 -1.26 0.14 118.68 120.04 1gpx s LEU 84 Ca 0.32 1.53 0.47 0.00 -1.03 0.00 0.00 54.13 55.41 1gpx s LEU 84 Cb 0.03 -3.27 1.68 0.00 0.03 0.00 0.00 46.19 44.66 1gpx s LEU 84 CO 0.13 0.08 1.64 0.77 0.23 0.00 0.00 176.35 179.20 1gpx h SER 85 N 5.18 0.00 -0.94 2.29 4.64 0.16 0.58 113.55 125.47 1gpx h SER 85 Ca -0.45 0.00 -0.57 0.00 -0.47 0.00 0.00 61.79 60.30 1gpx h SER 85 Cb 1.21 0.00 -0.28 0.00 -0.31 0.00 0.00 62.40 63.01 1gpx h SER 85 CO 0.69 0.00 0.73 0.00 -0.87 0.00 0.00 176.83 177.38 1gpx n GLN 87 N -0.90 0.00 -2.68 0.00 1.13 0.20 -3.64 117.38 111.48 1gpx n GLN 87 Ca 0.58 0.00 -0.33 0.00 -1.94 0.00 0.00 57.00 55.31 1gpx n GLN 87 Cb 1.11 -0.43 -0.06 0.00 0.11 0.00 0.00 30.24 30.97 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 -1.93 4.42 0.26 5.09 1.01 -1.25 -4.88 121.20 123.91 1gpx s ILE 88 Ca 0.00 1.40 0.09 0.00 0.00 0.00 0.00 60.65 62.14 1gpx s ILE 88 Cb 0.00 -3.63 -0.04 0.00 0.01 0.00 0.00 42.46 38.80 1gpx s ILE 88 CO 0.00 -0.43 0.03 -0.63 0.00 0.00 0.00 174.94 173.91 1gpx s ILE 89 N -2.31 3.61 -0.25 2.92 -1.09 -1.26 -3.64 121.20 119.18 1gpx s ILE 89 Ca 0.61 -1.83 -0.05 0.00 -2.23 0.00 0.00 60.65 57.15 1gpx s ILE 89 Cb -0.09 -2.94 -0.00 0.00 -1.58 0.00 0.00 42.46 37.85 1gpx s ILE 89 CO 0.19 -0.37 0.00 -0.32 -1.23 0.00 0.00 174.94 173.21 1gpx s MET 90 N -3.70 3.29 0.47 2.79 1.75 1.03 -4.88 119.30 120.04 1gpx s MET 90 Ca 0.32 -0.70 0.02 0.00 -1.25 0.00 0.00 55.69 54.08 1gpx s MET 90 Cb -0.07 -3.14 0.01 0.00 2.84 0.00 0.00 34.83 34.48 1gpx s MET 90 CO 0.21 -0.28 0.67 0.95 -0.65 0.00 0.00 175.02 175.92 1gpx s THR 91 N 1.49 3.41 -1.79 10.11 -4.23 -1.26 -1.87 115.64 121.48 1gpx s THR 91 Ca 0.04 -0.68 0.29 0.00 -1.18 0.00 0.00 61.69 60.17 1gpx s THR 91 Cb -0.15 -3.24 0.72 0.00 1.34 0.00 0.00 72.50 71.17 1gpx s THR 91 CO -0.01 -0.15 2.06 -0.81 -0.54 0.00 0.00 174.62 175.17 1gpx n PRO 92 N -2.09 0.74 -0.05 3.99 -0.04 -1.26 -3.39 135.00 132.90 1gpx n PRO 92 Ca 0.04 0.01 -0.05 0.00 -0.04 0.00 0.00 63.50 63.46 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 -1.10 2.35 -2.10 0.54 -0.00 -1.26 -4.71 120.64 114.35 1gpx n GLU 93 Ca 0.19 -0.01 -0.41 0.00 -0.00 0.00 0.00 57.16 56.93 1gpx n GLU 93 Cb 0.15 -1.26 -0.00 0.00 -0.00 0.00 0.00 31.44 30.33 1gpx n GLU 93 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 1gpx n LEU 94 N -2.37 7.29 -4.87 -1.84 4.77 -1.22 -4.98 117.00 113.80 1gpx n LEU 94 Ca -0.16 -4.67 -0.32 0.00 -0.03 0.00 0.00 56.01 50.83 1gpx n LEU 94 Cb 0.82 -1.46 -0.05 0.00 -2.33 0.00 0.00 43.42 40.40 1gpx n LEU 94 CO 0.21 1.64 -0.19 1.51 -1.33 0.00 0.00 177.39 179.23 1gpx s ASP 95 N 0.96 6.10 0.00 -1.43 1.47 -1.26 -4.50 116.67 118.01 1gpx s ASP 95 Ca 0.47 0.22 0.00 0.00 1.18 0.00 0.00 52.55 54.42 1gpx s ASP 95 Cb 0.14 -1.83 0.00 0.00 -0.34 0.00 0.00 42.92 40.89 1gpx s ASP 95 CO -0.04 0.21 0.00 0.61 0.68 0.00 0.00 175.17 176.63 1gpx n GLY 96 N 0.62 1.88 3.73 2.12 0.00 -0.48 -4.73 105.19 108.32 1gpx n GLY 96 Ca -0.08 -0.04 -0.41 0.00 0.00 0.00 0.00 46.02 45.49 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 4.46 -0.22 -0.61 -1.16 -0.33 -4.92 121.20 116.42 1gpx s ILE 97 Ca 0.00 2.06 -0.09 0.00 -0.51 0.00 0.00 60.65 62.11 1gpx s ILE 97 Cb 0.00 -4.32 -0.04 0.00 0.61 0.00 0.00 42.46 38.71 1gpx s ILE 97 CO 0.00 0.34 0.10 -0.69 -2.81 0.00 0.00 174.94 171.88 1gpx s VAL 98 N -0.15 4.91 0.57 4.00 1.01 -1.26 -0.94 120.40 128.53 1gpx s VAL 98 Ca 0.46 0.02 0.08 0.00 0.00 0.00 0.00 61.98 62.53 1gpx s VAL 98 Cb -0.24 -3.26 0.08 0.00 0.00 0.00 0.00 36.38 32.96 1gpx s VAL 98 CO 0.30 0.39 0.63 0.52 0.00 0.00 0.00 175.10 176.94 1gpx n VAL 99 N 4.14 0.00 -3.58 2.92 0.31 0.76 -0.63 118.33 122.25 1gpx n VAL 99 Ca -0.16 -2.04 -0.15 0.00 -0.01 0.00 0.00 64.34 61.98 1gpx n VAL 99 Cb 0.52 -0.30 -0.06 0.00 -0.91 0.00 0.00 33.84 33.08 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 -4.44 -0.63 0.35 4.52 1.11 0.24 -1.70 116.67 116.13 1gpx s ASP 100 Ca 0.48 0.94 -0.17 0.00 0.18 0.00 0.00 52.55 53.98 1gpx s ASP 100 Cb -0.04 0.85 -0.10 0.00 1.07 0.00 0.00 42.92 44.71 1gpx s ASP 100 CO 0.31 -0.40 0.81 -0.69 1.18 0.00 0.00 175.17 176.37 1gpx s VAL 101 N -0.50 4.58 -0.20 -1.27 1.01 0.59 0.36 120.40 124.97 1gpx s VAL 101 Ca -0.05 1.14 -0.17 0.00 0.00 0.00 0.00 61.98 62.90 1gpx s VAL 101 Cb -0.02 -3.62 -0.04 0.00 0.00 0.00 0.00 36.38 32.70 1gpx s VAL 101 CO 0.04 -0.22 0.46 -2.16 0.00 0.00 0.00 175.10 173.23 1gpx s PRO 102 N -3.01 4.17 -0.28 2.72 0.04 -1.25 -3.67 135.00 133.72 1gpx s PRO 102 Ca 0.56 0.31 -0.05 0.00 0.04 0.00 0.00 61.00 61.86 1gpx s PRO 102 Cb -0.10 -3.56 0.01 0.00 0.04 0.00 0.00 34.50 30.90 1gpx s PRO 102 CO 0.16 -0.11 0.03 0.34 0.04 0.00 0.00 177.00 177.46 1gpx s ASP 103 N 1.13 4.87 0.00 6.66 2.15 -1.26 -4.93 116.67 125.29 1gpx s ASP 103 Ca 0.22 -0.73 0.12 0.00 0.43 0.00 0.00 52.55 52.58 1gpx s ASP 103 Cb -0.15 -1.81 0.09 0.00 -0.30 0.00 0.00 42.92 40.75 1gpx s ASP 103 CO 0.09 -0.16 0.87 0.54 -0.17 0.00 0.00 175.17 176.34 1gpx n ARG 104 N 4.81 0.65 -2.98 4.34 3.00 -1.26 -4.66 116.66 120.55 1gpx n ARG 104 Ca -0.15 -1.21 -0.27 0.00 -0.01 0.00 0.00 57.85 56.21 1gpx n ARG 104 Cb 0.48 -1.22 -0.04 0.00 0.00 0.00 0.00 32.46 31.67 1gpx n ARG 104 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.63 178.57 1gpx n GLN 105 N 0.66 3.20 0.00 5.56 0.00 -1.26 -4.84 117.38 120.69 1gpx n GLN 105 Ca 0.07 -4.85 0.07 0.00 -0.00 0.00 0.00 57.00 52.28 1gpx n GLN 105 Cb 0.29 -2.24 0.39 0.00 0.00 0.00 0.00 30.24 28.68 1gpx n GLN 105 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 177.06 178.93