#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 4.82 0.05 4.33 2.20 -1.25 -1.15 119.74 128.73 1gpx s LYS 2 Ca 0.00 1.48 0.06 0.00 -0.36 0.00 0.00 55.97 57.15 1gpx s LYS 2 Cb 0.00 -3.31 -0.03 0.00 -1.51 0.00 0.00 37.83 32.99 1gpx s LYS 2 CO 0.00 0.44 -0.17 0.08 -0.36 0.00 0.00 175.35 175.34 1gpx s VAL 3 N -0.87 1.35 -0.06 4.02 1.01 0.81 0.06 120.40 126.71 1gpx s VAL 3 Ca 0.43 -1.18 0.02 0.00 0.00 0.00 0.00 61.98 61.25 1gpx s VAL 3 Cb -0.25 -1.22 0.02 0.00 0.00 0.00 0.00 36.38 34.93 1gpx s VAL 3 CO 0.31 0.02 -0.10 -0.69 0.00 0.00 0.00 175.10 174.64 1gpx s VAL 4 N -0.94 0.95 -0.10 2.92 1.01 0.17 0.19 120.40 124.60 1gpx s VAL 4 Ca 0.03 -0.37 -0.03 0.00 0.00 0.00 0.00 61.98 61.62 1gpx s VAL 4 Cb -0.09 -0.89 -0.03 0.00 0.00 0.00 0.00 36.38 35.37 1gpx s VAL 4 CO 0.02 0.31 0.02 -0.31 0.00 0.00 0.00 175.10 175.14 1gpx s TYR 5 N 0.72 3.21 0.15 5.22 2.02 0.72 0.29 117.35 129.68 1gpx s TYR 5 Ca -0.14 0.20 0.10 0.00 -0.37 0.00 0.00 57.07 56.86 1gpx s TYR 5 Cb -0.15 -1.83 -0.04 0.00 -0.40 0.00 0.00 41.96 39.53 1gpx s TYR 5 CO 0.03 0.45 -0.24 0.08 -1.57 0.00 0.00 175.55 174.30 1gpx s VAL 6 N -0.75 2.12 -0.06 0.71 1.01 -0.91 0.17 120.40 122.68 1gpx s VAL 6 Ca 0.12 -1.83 0.03 0.00 0.00 0.00 0.00 61.98 60.30 1gpx s VAL 6 Cb -0.12 -1.93 -0.02 0.00 0.00 0.00 0.00 36.38 34.31 1gpx s VAL 6 CO 0.02 -0.07 -0.16 -0.94 0.00 0.00 0.00 175.10 173.96 1gpx s SER 7 N -2.32 3.89 0.64 3.32 1.04 0.46 0.86 113.70 121.58 1gpx s SER 7 Ca 0.15 -0.26 0.21 0.00 0.48 0.00 0.00 55.95 56.53 1gpx s SER 7 Cb -0.09 -0.94 0.99 0.00 0.10 0.00 0.00 66.02 66.09 1gpx s SER 7 CO 0.07 0.31 1.53 -0.74 0.98 0.00 0.00 173.24 175.39 1gpx h HIS 8 N 5.63 0.00 -0.00 5.02 2.76 -1.18 2.61 115.15 129.98 1gpx h HIS 8 Ca -0.42 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 57.75 1gpx h HIS 8 Cb 1.16 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.12 1gpx h HIS 8 CO 0.49 0.00 -0.16 -0.40 -1.30 0.00 0.00 177.93 176.56 1gpx n ASP 9 N -3.03 0.44 0.00 3.26 5.68 -1.26 -4.92 116.55 116.72 1gpx n ASP 9 Ca 0.06 -0.40 0.00 0.00 -0.50 0.00 0.00 54.79 53.96 1gpx n ASP 9 Cb 0.86 -0.08 0.00 0.00 -1.14 0.00 0.00 41.12 40.76 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 1.34 2.53 3.60 6.12 0.00 0.88 -5.06 105.19 114.61 1gpx n GLY 10 Ca 0.12 -0.62 -0.49 0.00 0.00 0.00 0.00 46.02 45.03 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 0.66 -4.25 2.61 -1.04 -1.25 -4.28 114.28 106.72 1gpx n THR 11 Ca 0.00 -0.16 -0.18 0.00 -2.04 0.00 0.00 64.05 61.66 1gpx n THR 11 Cb 0.00 -0.97 -0.11 0.00 -1.82 0.00 0.00 70.33 67.43 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 -0.12 1.05 -0.07 -2.82 0.52 -1.25 0.17 118.95 116.43 1gpx s ARG 12 Ca 0.75 -1.26 -0.01 0.00 -0.52 0.00 0.00 55.73 54.69 1gpx s ARG 12 Cb -0.83 -0.93 0.03 0.00 0.52 0.00 0.00 34.95 33.73 1gpx s ARG 12 CO 0.50 0.18 -0.00 -0.98 0.02 0.00 0.00 175.30 175.01 1gpx s ARG 13 N -2.72 0.60 -0.23 3.54 1.70 0.44 -4.89 118.95 117.39 1gpx s ARG 13 Ca 0.10 0.09 -0.16 0.00 -0.47 0.00 0.00 55.73 55.29 1gpx s ARG 13 Cb -0.05 -0.93 -0.04 0.00 -0.57 0.00 0.00 34.95 33.37 1gpx s ARG 13 CO 0.03 -0.28 0.40 -1.21 -1.08 0.00 0.00 175.30 173.16 1gpx s GLU 14 N 1.84 4.12 0.05 3.89 2.02 -1.26 0.26 118.70 129.61 1gpx s GLU 14 Ca 0.03 0.16 0.04 0.00 0.02 0.00 0.00 54.97 55.22 1gpx s GLU 14 Cb -0.12 -3.58 -0.04 0.00 0.10 0.00 0.00 34.13 30.49 1gpx s GLU 14 CO -0.05 -0.13 -0.03 -0.51 0.02 0.00 0.00 175.26 174.56 1gpx s LEU 15 N 1.61 3.33 -0.89 1.80 1.43 0.49 -4.95 118.68 121.50 1gpx s LEU 15 Ca 0.18 -0.16 -0.13 0.00 -1.03 0.00 0.00 54.13 52.98 1gpx s LEU 15 Cb -0.15 -2.00 0.23 0.00 0.03 0.00 0.00 46.19 44.30 1gpx s LEU 15 CO 0.08 0.23 0.85 -1.81 0.23 0.00 0.00 176.35 175.93 1gpx s ASP 16 N -1.88 6.87 0.42 2.29 1.01 -1.26 -0.13 116.67 123.98 1gpx s ASP 16 Ca 0.21 -2.85 0.07 0.00 0.71 0.00 0.00 52.55 50.69 1gpx s ASP 16 Cb -0.11 -2.22 0.01 0.00 1.01 0.00 0.00 42.92 41.61 1gpx s ASP 16 CO 0.13 -0.53 0.58 -0.69 0.21 0.00 0.00 175.17 174.86 1gpx s VAL 17 N -0.02 3.21 0.00 -1.27 1.01 -0.30 -4.94 120.40 118.09 1gpx s VAL 17 Ca 0.21 -0.94 0.00 0.00 0.00 0.00 0.00 61.98 61.25 1gpx s VAL 17 Cb -0.10 -3.10 0.00 0.00 0.00 0.00 0.00 36.38 33.18 1gpx s VAL 17 CO -0.09 -0.04 0.00 0.00 0.00 0.00 0.00 175.10 174.97 1gpx n ALA 18 N -1.87 0.00 -3.10 5.51 0.00 -1.25 0.27 120.51 120.07 1gpx n ALA 18 Ca 0.06 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.15 1gpx n ALA 18 Cb 0.59 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.91 1gpx n ALA 18 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 1gpx s ASP 19 N 1.00 4.89 0.00 0.00 -4.77 -1.23 -2.20 116.67 114.35 1gpx s ASP 19 Ca 0.00 -0.20 0.00 0.00 -3.30 0.00 0.00 52.55 49.05 1gpx s ASP 19 Cb 0.00 -1.84 0.00 0.00 -1.09 0.00 0.00 42.92 39.99 1gpx s ASP 19 CO 0.00 0.05 0.00 0.61 0.70 0.00 0.00 175.17 176.53 1gpx n GLY 20 N 4.34 0.77 4.00 2.12 0.00 -1.11 -5.01 105.19 110.30 1gpx n GLY 20 Ca -0.17 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.67 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 2.85 0.19 1.61 1.01 -1.26 -4.84 120.40 117.97 1gpx s VAL 21 Ca 0.00 -0.89 0.11 0.00 0.00 0.00 0.00 61.98 61.20 1gpx s VAL 21 Cb 0.00 -2.96 -0.04 0.00 0.00 0.00 0.00 36.38 33.38 1gpx s VAL 21 CO 0.00 0.00 -0.23 -0.94 0.00 0.00 0.00 175.10 173.93 1gpx s SER 22 N -4.39 3.36 0.62 3.32 1.04 -1.26 0.26 113.70 116.65 1gpx s SER 22 Ca 0.56 -0.87 0.25 0.00 0.48 0.00 0.00 55.95 56.37 1gpx s SER 22 Cb -0.10 -0.25 1.23 0.00 0.10 0.00 0.00 66.02 67.01 1gpx s SER 22 CO 0.35 0.11 1.68 -0.07 0.98 0.00 0.00 173.24 176.29 1gpx h LEU 23 N 3.19 0.00 0.00 2.42 3.38 -1.64 -1.96 115.31 120.70 1gpx h LEU 23 Ca -0.46 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.51 1gpx h LEU 23 Cb 1.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.96 1gpx h LEU 23 CO 0.48 0.00 -0.13 -0.03 0.09 0.00 0.00 178.44 178.86 1gpx h MET 24 N 0.00 0.00 -0.83 1.13 4.05 -0.77 -3.13 114.93 115.38 1gpx h MET 24 Ca 0.18 0.00 0.13 0.00 -0.28 0.00 0.00 59.70 59.73 1gpx h MET 24 Cb 1.46 0.00 -0.13 0.00 -0.80 0.00 0.00 31.60 32.13 1gpx h MET 24 CO -0.00 0.00 -0.33 0.94 0.23 0.00 0.00 176.91 177.75 1gpx n GLN 25 N -4.00 -0.20 0.03 0.39 7.27 -0.75 0.39 117.38 120.51 1gpx n GLN 25 Ca -0.02 1.27 -0.12 0.00 0.07 0.00 0.00 57.00 58.21 1gpx n GLN 25 Cb 0.07 -1.89 -0.07 0.00 2.41 0.00 0.00 30.24 30.75 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 1.13 0.01 0.73 1.69 0.00 -1.71 -2.61 119.26 118.51 1gpx h ALA 26 Ca 0.29 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.13 1gpx h ALA 26 Cb 0.49 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 1gpx h ALA 26 CO -0.82 -0.46 -0.44 0.00 0.00 0.00 0.00 179.25 177.53 1gpx h ALA 27 N 0.93 -1.25 -0.48 0.00 0.00 0.15 -1.76 119.26 116.85 1gpx h ALA 27 Ca 0.00 -0.23 0.05 0.00 0.00 0.00 0.00 54.91 54.73 1gpx h ALA 27 Cb 0.07 0.55 -0.06 0.00 0.00 0.00 0.00 17.79 18.34 1gpx h ALA 27 CO -0.00 -1.20 -0.27 0.28 0.00 0.00 0.00 179.25 178.06 1gpx n VAL 28 N -5.21 -0.32 -0.04 0.00 0.31 1.28 0.17 118.33 114.53 1gpx n VAL 28 Ca -0.13 1.16 -0.11 0.00 -0.01 0.00 0.00 64.34 65.24 1gpx n VAL 28 Cb 0.45 -1.45 -0.05 0.00 -0.91 0.00 0.00 33.84 31.88 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 0.20 0.00 4.52 0.87 -1.36 0.12 113.55 117.90 1gpx h SER 29 Ca 0.09 -0.18 0.00 0.00 -1.23 0.00 0.00 61.79 60.47 1gpx h SER 29 Cb 0.21 -0.05 0.00 0.00 -0.44 0.00 0.00 62.40 62.12 1gpx h SER 29 CO -0.46 0.33 0.01 0.59 -0.53 0.00 0.00 176.83 176.77 1gpx n ASN 30 N -4.87 0.16 0.00 6.23 3.02 0.46 -4.75 115.26 115.52 1gpx n ASN 30 Ca -0.05 0.57 0.00 0.00 -0.03 0.00 0.00 54.58 55.07 1gpx n ASN 30 Cb 0.13 -0.59 0.00 0.00 -0.61 0.00 0.00 39.78 38.71 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 -1.43 1.69 0.65 7.41 0.00 0.41 -4.87 105.19 109.04 1gpx n GLY 31 Ca -0.00 0.00 0.47 0.00 0.00 0.00 0.00 46.02 46.49 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 0.14 -2.27 -0.61 2.04 -1.47 -1.58 117.51 113.77 1gpx h ILE 32 Ca 0.00 -0.00 -0.62 0.00 1.00 0.00 0.00 64.86 65.24 1gpx h ILE 32 Cb 0.00 0.14 -0.41 0.00 -0.74 0.00 0.00 36.82 35.81 1gpx h ILE 32 CO 0.00 0.00 -0.46 -1.22 0.00 0.00 0.00 178.15 176.47 1gpx n TYR 33 N -4.04 3.64 -0.05 1.37 4.01 -1.26 -4.80 117.16 116.03 1gpx n TYR 33 Ca 0.38 -3.97 -0.07 0.00 -0.16 0.00 0.00 57.90 54.09 1gpx n TYR 33 Cb 1.75 -0.61 0.13 0.00 -0.31 0.00 0.00 39.34 40.30 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 0.59 3.37 -2.78 7.72 5.75 -0.59 -4.81 116.55 125.81 1gpx n ASP 34 Ca 0.30 -2.68 0.00 0.00 -0.01 0.00 0.00 54.79 52.40 1gpx n ASP 34 Cb 0.40 -0.64 0.00 0.00 -1.03 0.00 0.00 41.12 39.84 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 -0.10 0.00 -3.92 2.12 -5.35 -1.26 -5.03 119.36 105.82 1gpx n ILE 35 Ca 0.24 0.00 -0.29 0.00 -0.27 0.00 0.00 62.75 62.43 1gpx n ILE 35 Cb 0.96 -1.97 -0.13 0.00 -1.74 0.00 0.00 39.64 36.76 1gpx n ILE 35 CO 0.00 0.00 0.00 0.68 -1.76 0.00 0.00 176.55 175.47 1gpx s VAL 36 N -0.24 2.60 0.14 7.28 -7.23 -1.26 -5.08 120.40 116.61 1gpx s VAL 36 Ca 0.00 -3.55 0.11 0.00 -1.81 0.00 0.00 61.98 56.73 1gpx s VAL 36 Cb 0.00 -2.78 -0.04 0.00 0.56 0.00 0.00 36.38 34.12 1gpx s VAL 36 CO 0.00 -0.86 -0.26 -0.83 -0.31 0.00 0.00 175.10 172.83 1gpx s GLY 37 N -0.58 1.58 0.00 2.32 0.00 -1.26 -4.55 107.32 104.83 1gpx s GLY 37 Ca 0.19 -1.49 0.16 0.00 0.00 0.00 0.00 44.72 43.59 1gpx s GLY 37 CO -0.05 -1.48 1.46 1.34 0.00 0.00 0.00 173.10 174.38 1gpx n ASP 38 N 0.81 1.22 0.01 1.64 2.03 -1.04 -3.95 116.55 117.26 1gpx n ASP 38 Ca -0.17 -1.74 -0.06 0.00 0.52 0.00 0.00 54.79 53.33 1gpx n ASP 38 Cb 0.54 -0.10 0.12 0.00 -0.72 0.00 0.00 41.12 40.96 1gpx n ASP 38 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1gpx n GLY 40 N -0.05 -0.49 1.69 0.00 0.00 -1.25 0.22 105.19 105.30 1gpx n GLY 40 Ca -0.02 0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.71 0.71 0.00 -0.02 0.00 -1.26 -4.94 105.19 98.97 1gpx n GLY 41 Ca -0.04 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.22 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 1.69 0.00 -2.45 1.61 2.88 0.60 -5.03 113.62 112.92 1gpx n SER 42 Ca 0.00 -1.00 -0.09 0.00 -1.33 0.00 0.00 58.87 56.45 1gpx n SER 42 Cb 0.49 0.00 0.05 0.00 -0.75 0.00 0.00 64.21 64.00 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 -1.37 -2.16 -1.46 0.00 -0.99 -4.95 120.51 109.57 1gpx n ALA 43 Ca 0.00 0.01 0.04 0.00 0.00 0.00 0.00 53.44 53.49 1gpx n ALA 43 Cb 0.47 -2.44 0.09 0.00 0.00 0.00 0.00 19.45 17.57 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 -2.34 1.43 -4.62 0.00 2.88 -1.26 -4.88 113.62 104.82 1gpx n SER 44 Ca -0.11 -2.78 -0.30 0.00 -1.33 0.00 0.00 58.87 54.35 1gpx n SER 44 Cb 0.59 -0.40 -0.09 0.00 -0.75 0.00 0.00 64.21 63.56 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 0.66 2.62 -0.03 0.00 0.00 -1.25 -3.84 120.51 118.67 1gpx n ALA 46 Ca -0.12 -0.52 0.00 0.00 0.00 0.00 0.00 53.44 52.79 1gpx n ALA 46 Cb 0.52 -0.35 -0.08 0.00 0.00 0.00 0.00 19.45 19.54 1gpx n ALA 46 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 1gpx n THR 47 N 0.25 0.35 1.24 0.00 5.66 -1.26 -4.43 114.28 116.09 1gpx n THR 47 Ca 0.05 -0.33 0.00 0.00 -3.05 0.00 0.00 64.05 60.72 1gpx n THR 47 Cb 0.24 -0.25 0.00 0.00 -1.55 0.00 0.00 70.33 68.77 1gpx n THR 47 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1gpx n HIS 49 N -0.20 1.43 -3.85 0.00 -0.00 -1.26 0.37 115.22 111.70 1gpx n HIS 49 Ca 0.00 0.65 -0.07 0.00 0.46 0.00 0.00 57.72 58.76 1gpx n HIS 49 Cb 0.11 -2.30 -0.02 0.00 -0.12 0.00 0.00 29.99 27.66 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 -0.45 0.00 -0.15 3.57 -7.23 -0.39 -4.67 120.40 111.08 1gpx s VAL 50 Ca 0.68 -0.99 0.02 0.00 -1.81 0.00 0.00 61.98 59.88 1gpx s VAL 50 Cb -0.77 -2.03 0.01 0.00 0.56 0.00 0.00 36.38 34.15 1gpx s VAL 50 CO 0.54 0.00 -0.21 -0.31 -0.31 0.00 0.00 175.10 174.82 1gpx s TYR 51 N -3.84 2.66 0.26 2.82 2.02 0.54 -1.59 117.35 120.22 1gpx s TYR 51 Ca 0.11 -1.43 -0.09 0.00 -0.37 0.00 0.00 57.07 55.29 1gpx s TYR 51 Cb -0.06 -1.83 -0.07 0.00 -0.40 0.00 0.00 41.96 39.61 1gpx s TYR 51 CO 0.07 -0.68 0.58 0.08 -1.57 0.00 0.00 175.55 174.03 1gpx s VAL 52 N 1.01 4.92 0.15 0.71 1.01 -1.26 0.20 120.40 127.15 1gpx s VAL 52 Ca -0.02 0.44 -0.30 0.00 0.00 0.00 0.00 61.98 62.09 1gpx s VAL 52 Cb -0.14 -3.64 -0.07 0.00 0.00 0.00 0.00 36.38 32.52 1gpx s VAL 52 CO -0.06 -0.15 1.19 0.54 0.00 0.00 0.00 175.10 176.62 1gpx s ASN 53 N -2.55 7.09 0.59 3.32 6.03 0.12 -4.72 114.94 124.82 1gpx s ASN 53 Ca 0.47 2.17 0.34 0.00 -1.03 0.00 0.00 52.86 54.81 1gpx s ASN 53 Cb -0.11 -2.60 1.20 0.00 -3.03 0.00 0.00 41.25 36.71 1gpx s ASN 53 CO 0.23 -0.39 1.42 1.05 -2.03 0.00 0.00 177.10 177.39 1gpx h GLU 54 N 5.65 0.00 0.00 3.55 9.09 -1.96 0.98 114.58 131.89 1gpx h GLU 54 Ca -0.44 0.00 0.00 0.00 0.05 0.00 0.00 59.36 58.97 1gpx h GLU 54 Cb 1.21 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.31 1gpx h GLU 54 CO 0.76 0.00 0.00 0.00 0.05 0.00 0.00 179.01 179.82 1gpx h ALA 55 N 0.74 1.00 0.00 1.06 0.00 -1.95 -3.00 119.26 117.10 1gpx h ALA 55 Ca 0.61 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.52 1gpx h ALA 55 Cb 3.07 0.00 0.00 0.00 0.00 0.00 0.00 17.79 20.86 1gpx h ALA 55 CO -0.01 0.00 0.00 1.19 0.00 0.00 0.00 179.25 180.43 1gpx n PHE 56 N -2.64 0.00 0.14 0.00 3.01 0.33 -4.68 117.46 113.62 1gpx n PHE 56 Ca -0.02 0.00 -0.24 0.00 1.01 0.00 0.00 57.45 58.20 1gpx n PHE 56 Cb 0.08 0.00 -0.16 0.00 -0.01 0.00 0.00 39.48 39.39 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 0.04 1.27 0.00 4.37 1.35 -1.27 -3.04 112.91 115.63 1gpx h THR 57 Ca 0.00 -2.72 0.00 0.00 -0.55 0.00 0.00 66.41 63.14 1gpx h THR 57 Cb 0.02 3.01 0.00 0.00 -1.73 0.00 0.00 68.15 69.45 1gpx h THR 57 CO 0.00 0.82 0.00 -0.67 -0.25 0.00 0.00 175.52 175.42 1gpx n ASP 58 N -3.69 0.33 -0.05 5.36 2.03 -1.15 -3.22 116.55 116.16 1gpx n ASP 58 Ca -0.17 0.56 -0.08 0.00 0.52 0.00 0.00 54.79 55.62 1gpx n ASP 58 Cb 1.10 -0.64 -0.07 0.00 -0.72 0.00 0.00 41.12 40.79 1gpx n ASP 58 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 1gpx h LYS 59 N 0.00 -0.02 -6.49 -0.67 1.79 -1.80 -3.45 116.57 105.94 1gpx h LYS 59 Ca 0.00 0.00 -0.52 0.00 -2.18 0.00 0.00 60.65 57.95 1gpx h LYS 59 Cb 0.43 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.06 1gpx h LYS 59 CO 0.00 0.51 0.32 0.54 -1.08 0.00 0.00 179.45 179.73 1gpx s VAL 60 N -2.03 4.58 0.80 0.50 0.11 -1.15 -5.03 120.40 118.18 1gpx s VAL 60 Ca -0.10 1.97 -0.10 0.00 -2.93 0.00 0.00 61.98 60.81 1gpx s VAL 60 Cb -0.01 -4.28 0.08 0.00 -1.53 0.00 0.00 36.38 30.64 1gpx s VAL 60 CO 0.38 0.32 1.10 -2.16 -3.33 0.00 0.00 175.10 171.41 1gpx s PRO 61 N 0.07 1.99 0.93 1.54 0.04 -1.26 -4.84 135.00 133.46 1gpx s PRO 61 Ca 0.45 1.26 -0.14 0.00 0.04 0.00 0.00 61.00 62.61 1gpx s PRO 61 Cb -0.22 -1.86 0.19 0.00 0.04 0.00 0.00 34.50 32.64 1gpx s PRO 61 CO 0.28 -1.86 1.28 0.00 0.04 0.00 0.00 177.00 176.74 1gpx s ALA 62 N -2.84 2.39 0.00 8.56 0.00 -1.26 -4.98 121.76 123.64 1gpx s ALA 62 Ca 0.63 -1.21 0.00 0.00 0.00 0.00 0.00 51.96 51.37 1gpx s ALA 62 Cb -0.18 -2.72 0.00 0.00 0.00 0.00 0.00 23.12 20.22 1gpx s ALA 62 CO 0.56 -2.30 0.00 0.00 0.00 0.00 0.00 175.76 174.02 1gpx n ALA 63 N -3.65 0.00 -2.00 0.00 0.00 -1.26 -5.14 120.51 108.45 1gpx n ALA 63 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.59 1gpx n ALA 63 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.05 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 0.00 0.00 0.18 0.00 6.94 -1.26 -4.92 115.26 116.19 1gpx n ASN 64 Ca 0.00 0.00 0.12 0.00 -0.02 0.00 0.00 54.58 54.68 1gpx n ASN 64 Cb 0.00 0.00 0.26 0.00 -2.36 0.00 0.00 39.78 37.68 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 0.13 -3.83 4.11 -2.01 -3.32 114.58 109.66 1gpx h GLU 65 Ca 0.00 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.42 1gpx h GLU 65 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1gpx h GLU 65 CO 0.00 0.00 -0.06 0.00 0.07 0.00 0.00 179.01 179.02 1gpx h ARG 66 N 0.00 -0.17 0.00 1.06 2.47 -1.96 -1.54 114.38 114.24 1gpx h ARG 66 Ca 0.00 0.01 0.00 0.00 -1.26 0.00 0.00 59.98 58.73 1gpx h ARG 66 Cb 0.90 0.04 0.00 0.00 -1.65 0.00 0.00 29.97 29.26 1gpx h ARG 66 CO 0.00 0.26 0.06 1.49 0.56 0.00 0.00 179.97 182.35 1gpx h GLU 67 N -0.68 0.00 0.00 0.04 4.22 -1.90 0.10 114.58 116.36 1gpx h GLU 67 Ca -0.02 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.42 1gpx h GLU 67 Cb 0.51 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.76 1gpx h GLU 67 CO 0.03 0.00 -0.28 -0.89 -2.18 0.00 0.00 179.01 175.69 1gpx n ILE 68 N -2.33 0.70 -0.03 2.32 -0.00 -1.07 -3.81 119.36 115.13 1gpx n ILE 68 Ca -0.02 0.36 -0.14 0.00 -0.00 0.00 0.00 62.75 62.95 1gpx n ILE 68 Cb 0.10 -1.94 -0.10 0.00 -0.00 0.00 0.00 39.64 37.71 1gpx n ILE 68 CO 0.00 0.00 0.00 1.23 -0.00 0.00 0.00 176.55 177.78 1gpx h GLY 69 N -0.49 0.19 -0.14 7.39 0.00 -1.21 0.69 103.07 109.50 1gpx h GLY 69 Ca 0.00 -0.24 0.09 0.00 0.00 0.00 0.00 47.33 47.19 1gpx h GLY 69 CO 0.00 0.21 -0.24 1.98 0.00 0.00 0.00 176.54 178.50 1gpx h MET 70 N -0.37 -0.13 0.23 4.80 -1.53 -0.97 2.64 114.93 119.60 1gpx h MET 70 Ca -0.00 0.01 -0.01 0.00 -3.44 0.00 0.00 59.70 56.25 1gpx h MET 70 Cb 0.75 0.03 0.00 0.00 -0.55 0.00 0.00 31.60 31.84 1gpx h MET 70 CO 0.03 -0.09 -0.11 1.25 0.14 0.00 0.00 176.91 178.13 1gpx h LEU 71 N -0.14 -0.26 -1.33 3.39 6.46 -1.53 -1.84 115.31 120.06 1gpx h LEU 71 Ca 0.22 -0.08 -0.00 0.00 -0.12 0.00 0.00 57.88 57.90 1gpx h LEU 71 Cb 0.48 0.07 -0.00 0.00 -0.73 0.00 0.00 40.66 40.48 1gpx h LEU 71 CO -0.55 -0.09 0.00 1.21 -0.62 0.00 0.00 178.44 178.39 1gpx n GLU 72 N -5.17 1.41 0.01 1.25 2.13 0.24 -4.15 120.64 116.35 1gpx n GLU 72 Ca -0.09 -0.34 0.23 0.00 0.66 0.00 0.00 57.16 57.61 1gpx n GLU 72 Cb 0.18 -1.56 0.66 0.00 0.27 0.00 0.00 31.44 30.99 1gpx n GLU 72 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1gpx n VAL 74 N -3.55 0.00 -2.85 0.00 0.24 -1.26 -5.04 118.33 105.87 1gpx n VAL 74 Ca 0.12 0.00 -0.20 0.00 -2.04 0.00 0.00 64.34 62.22 1gpx n VAL 74 Cb 0.88 0.00 -0.01 0.00 -1.47 0.00 0.00 33.84 33.24 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 0.00 1.46 -1.12 3.34 5.66 -1.26 -4.88 114.28 117.49 1gpx n THR 75 Ca 0.00 -4.55 -0.25 0.00 -3.05 0.00 0.00 64.05 56.21 1gpx n THR 75 Cb 0.00 -0.53 0.15 0.00 -1.55 0.00 0.00 70.33 68.39 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 -0.09 5.57 -4.07 1.79 0.00 -1.26 -4.91 120.51 117.53 1gpx n ALA 76 Ca 0.26 -2.82 -0.45 0.00 0.00 0.00 0.00 53.44 50.43 1gpx n ALA 76 Cb 0.63 -1.49 0.02 0.00 0.00 0.00 0.00 19.45 18.61 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 -0.97 -0.28 0.00 0.00 0.28 -1.26 -4.54 120.64 113.87 1gpx n GLU 77 Ca 0.56 0.06 0.00 0.00 -0.16 0.00 0.00 57.16 57.62 1gpx n GLU 77 Cb 1.38 -2.29 0.00 0.00 1.43 0.00 0.00 31.44 31.97 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 0.00 0.00 -1.84 7.94 -1.26 -4.94 117.00 112.06 1gpx n LEU 78 Ca -0.12 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.78 1gpx n LEU 78 Cb 0.54 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.49 1gpx n LEU 78 CO 0.71 0.00 0.00 0.29 -1.11 0.00 0.00 177.39 177.28 1gpx n LYS 79 N 0.00 1.34 0.07 1.96 5.02 -1.26 -4.99 118.16 120.29 1gpx n LYS 79 Ca 0.00 0.00 -0.04 0.00 -2.02 0.00 0.00 58.31 56.25 1gpx n LYS 79 Cb 0.00 0.00 -0.08 0.00 -0.02 0.00 0.00 35.03 34.93 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 -0.01 1.97 0.13 -2.02 -3.33 132.00 128.75 1gpx h PRO 80 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1gpx h PRO 80 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1gpx h PRO 80 CO 0.00 0.72 -0.51 0.27 -0.23 0.00 0.00 178.00 178.25 1gpx n ASN 81 N -3.22 1.18 -4.54 1.44 6.94 -1.26 -5.01 115.26 110.79 1gpx n ASN 81 Ca -0.03 -1.09 -0.42 0.00 -0.02 0.00 0.00 54.58 53.02 1gpx n ASN 81 Cb 0.89 0.72 0.00 0.00 -2.36 0.00 0.00 39.78 39.04 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 -0.71 0.42 -3.53 0.53 7.64 -1.25 -4.20 113.62 112.52 1gpx n SER 82 Ca 0.05 1.02 -0.16 0.00 1.01 0.00 0.00 58.87 60.78 1gpx n SER 82 Cb 0.29 -1.24 -0.06 0.00 -1.01 0.00 0.00 64.21 62.19 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 -1.76 1.06 0.46 1.43 1.81 -0.62 -4.90 118.95 116.43 1gpx s ARG 83 Ca 0.63 0.08 -0.22 0.00 -1.72 0.00 0.00 55.73 54.50 1gpx s ARG 83 Cb -0.61 0.49 -0.08 0.00 -0.45 0.00 0.00 34.95 34.30 1gpx s ARG 83 CO 0.58 -0.35 1.06 -0.51 -0.68 0.00 0.00 175.30 175.39 1gpx s LEU 84 N -1.48 3.94 0.60 2.53 1.43 -1.26 -1.26 118.68 123.18 1gpx s LEU 84 Ca -0.09 2.01 0.28 0.00 -1.03 0.00 0.00 54.13 55.30 1gpx s LEU 84 Cb -0.01 -4.42 1.25 0.00 0.03 0.00 0.00 46.19 43.04 1gpx s LEU 84 CO 0.05 -0.73 1.64 0.28 0.23 0.00 0.00 176.35 177.83 1gpx h SER 85 N 1.86 0.00 -1.60 2.29 0.02 -0.39 0.34 113.55 116.07 1gpx h SER 85 Ca -0.49 0.00 -0.67 0.00 -0.84 0.00 0.00 61.79 59.79 1gpx h SER 85 Cb 1.22 0.00 -0.35 0.00 0.14 0.00 0.00 62.40 63.41 1gpx h SER 85 CO 0.60 0.00 0.14 0.00 -1.14 0.00 0.00 176.83 176.43 1gpx n GLN 87 N -0.57 0.31 -3.99 0.00 -0.06 0.12 -2.36 117.38 110.84 1gpx n GLN 87 Ca 0.48 0.00 -0.25 0.00 -2.00 0.00 0.00 57.00 55.23 1gpx n GLN 87 Cb 0.51 -0.87 -0.04 0.00 -4.06 0.00 0.00 30.24 25.79 1gpx n GLN 87 CO 0.00 0.00 0.00 0.42 -0.20 0.00 0.00 177.06 177.28 1gpx s ILE 88 N -1.74 5.06 0.32 1.69 1.01 -1.26 -4.93 121.20 121.35 1gpx s ILE 88 Ca 0.00 -0.87 0.08 0.00 0.00 0.00 0.00 60.65 59.87 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 -0.14 0.15 -0.63 0.00 0.00 0.00 174.94 174.31 1gpx s ILE 89 N -1.80 3.35 -0.37 2.92 -1.09 -1.26 -3.49 121.20 119.47 1gpx s ILE 89 Ca 0.33 -1.65 -0.06 0.00 -2.23 0.00 0.00 60.65 57.05 1gpx s ILE 89 Cb -0.10 -3.04 0.06 0.00 -1.58 0.00 0.00 42.46 37.81 1gpx s ILE 89 CO 0.27 -0.24 0.15 -0.32 -1.23 0.00 0.00 174.94 173.58 1gpx s MET 90 N -3.84 2.48 0.51 2.79 1.75 0.71 -4.83 119.30 118.88 1gpx s MET 90 Ca 0.36 -1.39 -0.03 0.00 -1.25 0.00 0.00 55.69 53.39 1gpx s MET 90 Cb -0.04 -3.54 -0.00 0.00 2.84 0.00 0.00 34.83 34.09 1gpx s MET 90 CO 0.23 -0.81 0.78 0.95 -0.65 0.00 0.00 175.02 175.52 1gpx s THR 91 N 1.34 4.02 -1.31 10.11 -4.23 -1.26 -2.77 115.64 121.54 1gpx s THR 91 Ca 0.01 -0.18 0.21 0.00 -1.18 0.00 0.00 61.69 60.56 1gpx s THR 91 Cb -0.21 -3.54 0.32 0.00 1.34 0.00 0.00 72.50 70.41 1gpx s THR 91 CO 0.01 -0.47 1.69 -0.81 -0.54 0.00 0.00 174.62 174.49 1gpx n PRO 92 N -2.31 0.22 -0.07 3.99 -0.04 -1.26 -2.95 135.00 132.58 1gpx n PRO 92 Ca 0.02 0.10 -0.04 0.00 -0.04 0.00 0.00 63.50 63.54 1gpx n PRO 92 Cb 0.57 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.40 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 -1.34 1.10 -2.44 0.54 0.28 -1.26 -4.53 120.64 112.99 1gpx n GLU 93 Ca 0.09 -0.04 -0.41 0.00 -0.16 0.00 0.00 57.16 56.64 1gpx n GLU 93 Cb 0.19 -1.43 0.03 0.00 1.43 0.00 0.00 31.44 31.66 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 -2.51 7.42 -4.91 -1.84 4.77 -1.15 -4.99 117.00 113.79 1gpx n LEU 94 Ca -0.22 -5.24 -0.31 0.00 -0.03 0.00 0.00 56.01 50.21 1gpx n LEU 94 Cb 0.92 -1.14 -0.04 0.00 -2.33 0.00 0.00 43.42 40.82 1gpx n LEU 94 CO 0.36 1.97 -0.16 1.51 -1.33 0.00 0.00 177.39 179.74 1gpx s ASP 95 N -1.26 6.30 0.00 -1.43 -4.77 -1.25 -4.46 116.67 109.79 1gpx s ASP 95 Ca 0.43 0.25 0.00 0.00 -3.30 0.00 0.00 52.55 49.93 1gpx s ASP 95 Cb 0.26 -1.92 0.00 0.00 -1.09 0.00 0.00 42.92 40.16 1gpx s ASP 95 CO -0.21 0.17 0.00 0.61 0.70 0.00 0.00 175.17 176.44 1gpx n GLY 96 N 0.32 1.26 3.79 2.12 0.00 0.11 -4.74 105.19 108.05 1gpx n GLY 96 Ca -0.05 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.64 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 3.63 -0.11 -0.61 2.07 -0.49 -4.86 121.20 118.83 1gpx s ILE 97 Ca 0.00 0.78 0.03 0.00 -1.41 0.00 0.00 60.65 60.05 1gpx s ILE 97 Cb 0.00 -3.30 0.01 0.00 0.13 0.00 0.00 42.46 39.30 1gpx s ILE 97 CO 0.00 -0.44 -0.20 -0.69 -1.91 0.00 0.00 174.94 171.70 1gpx s VAL 98 N -2.38 1.79 0.56 4.00 1.01 -1.26 0.45 120.40 124.56 1gpx s VAL 98 Ca 0.65 -0.84 0.08 0.00 0.00 0.00 0.00 61.98 61.87 1gpx s VAL 98 Cb -0.18 -1.58 0.08 0.00 0.00 0.00 0.00 36.38 34.70 1gpx s VAL 98 CO 0.37 0.50 0.64 0.52 0.00 0.00 0.00 175.10 177.13 1gpx n VAL 99 N 3.85 0.00 -3.63 2.92 0.31 0.86 0.14 118.33 122.78 1gpx n VAL 99 Ca -0.20 -2.00 -0.12 0.00 -0.01 0.00 0.00 64.34 62.01 1gpx n VAL 99 Cb 0.52 -0.33 -0.07 0.00 -0.91 0.00 0.00 33.84 33.05 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 -4.41 -0.73 -0.31 4.52 1.01 0.55 -2.14 116.67 115.16 1gpx s ASP 100 Ca 0.49 1.37 -0.14 0.00 0.71 0.00 0.00 52.55 54.98 1gpx s ASP 100 Cb -0.04 1.38 -0.03 0.00 1.01 0.00 0.00 42.92 45.24 1gpx s ASP 100 CO 0.31 -0.23 0.33 -0.69 0.21 0.00 0.00 175.17 175.09 1gpx s VAL 101 N 0.54 5.20 0.00 -1.27 1.01 0.25 0.20 120.40 126.34 1gpx s VAL 101 Ca -0.01 0.23 0.00 0.00 0.00 0.00 0.00 61.98 62.20 1gpx s VAL 101 Cb -0.05 -3.72 0.00 0.00 0.00 0.00 0.00 36.38 32.61 1gpx s VAL 101 CO -0.03 0.06 0.00 -0.81 0.00 0.00 0.00 175.10 174.32 1gpx n PRO 102 N 5.29 -0.59 0.00 2.72 -0.04 -1.26 -0.83 135.00 140.29 1gpx n PRO 102 Ca -0.10 0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.42 1gpx n PRO 102 Cb 0.50 0.00 0.05 0.00 -0.04 0.00 0.00 33.50 34.01 1gpx n PRO 102 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1gpx n ASP 103 N -1.93 1.98 -4.05 3.54 5.75 -1.26 -4.37 116.55 116.20 1gpx n ASP 103 Ca 0.00 -1.49 -0.36 0.00 -0.01 0.00 0.00 54.79 52.93 1gpx n ASP 103 Cb 0.00 0.01 -0.06 0.00 -1.03 0.00 0.00 41.12 40.05 1gpx n ASP 103 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1gpx n ARG 104 N 0.65 2.80 -0.03 0.11 5.12 -1.26 -4.76 116.66 119.29 1gpx n ARG 104 Ca 0.07 -4.50 0.04 0.00 -1.93 0.00 0.00 57.85 51.53 1gpx n ARG 104 Cb 0.30 -2.41 0.05 0.00 -1.16 0.00 0.00 32.46 29.23 1gpx n ARG 104 CO 0.00 0.00 0.00 0.94 -1.93 0.00 0.00 177.63 176.64 1gpx n GLN 105 N 2.11 0.72 0.00 5.56 0.00 -1.26 -4.53 117.38 119.98 1gpx n GLN 105 Ca 0.23 -1.17 0.00 0.00 -0.00 0.00 0.00 57.00 56.06 1gpx n GLN 105 Cb 0.37 -1.15 0.00 0.00 0.00 0.00 0.00 30.24 29.46 1gpx n GLN 105 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 177.06 174.39