#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 4.23 0.08 1.43 2.20 -1.26 -1.66 119.74 124.76 1gpx s LYS 2 Ca 0.00 1.69 0.10 0.00 -0.36 0.00 0.00 55.97 57.40 1gpx s LYS 2 Cb 0.00 -3.77 -0.03 0.00 -1.51 0.00 0.00 37.83 32.51 1gpx s LYS 2 CO 0.00 -0.71 -0.26 0.08 -0.36 0.00 0.00 175.35 174.10 1gpx s VAL 3 N 3.50 2.24 -0.08 4.02 1.01 -0.21 0.76 120.40 131.65 1gpx s VAL 3 Ca 0.56 -1.51 0.01 0.00 0.00 0.00 0.00 61.98 61.03 1gpx s VAL 3 Cb -0.22 -1.92 0.02 0.00 0.00 0.00 0.00 36.38 34.25 1gpx s VAL 3 CO 0.16 0.26 -0.08 -0.69 0.00 0.00 0.00 175.10 174.75 1gpx s VAL 4 N -0.91 0.88 -0.13 2.92 1.01 0.66 0.14 120.40 124.97 1gpx s VAL 4 Ca 0.13 -0.27 -0.07 0.00 0.00 0.00 0.00 61.98 61.77 1gpx s VAL 4 Cb -0.10 -0.87 -0.04 0.00 0.00 0.00 0.00 36.38 35.37 1gpx s VAL 4 CO 0.04 0.32 0.11 -0.31 0.00 0.00 0.00 175.10 175.25 1gpx s TYR 5 N 1.18 3.47 -0.08 5.22 2.02 0.83 0.17 117.35 130.16 1gpx s TYR 5 Ca -0.06 0.41 0.05 0.00 -0.37 0.00 0.00 57.07 57.10 1gpx s TYR 5 Cb -0.14 -1.95 -0.00 0.00 -0.40 0.00 0.00 41.96 39.46 1gpx s TYR 5 CO -0.02 0.59 -0.24 0.08 -1.57 0.00 0.00 175.55 174.40 1gpx s VAL 6 N -0.71 1.98 0.00 0.71 1.01 -1.12 0.18 120.40 122.44 1gpx s VAL 6 Ca 0.13 -1.00 0.00 0.00 0.00 0.00 0.00 61.98 61.11 1gpx s VAL 6 Cb -0.12 -1.69 0.00 0.00 0.00 0.00 0.00 36.38 34.57 1gpx s VAL 6 CO 0.03 0.55 0.00 -1.54 0.00 0.00 0.00 175.10 174.13 1gpx n SER 7 N 3.25 0.00 -0.09 3.32 3.41 0.23 0.18 113.62 123.92 1gpx n SER 7 Ca -0.18 0.00 0.05 0.00 -0.26 0.00 0.00 58.87 58.48 1gpx n SER 7 Cb 0.52 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.44 1gpx n SER 7 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1gpx n HIS 8 N -0.01 0.00 0.76 7.33 1.44 -1.24 -3.55 115.22 119.95 1gpx n HIS 8 Ca 0.00 0.00 0.12 0.00 -2.01 0.00 0.00 57.72 55.83 1gpx n HIS 8 Cb 0.00 0.00 0.14 0.00 0.12 0.00 0.00 29.99 30.25 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 -0.89 3.13 0.00 4.39 5.68 -1.26 -4.93 116.55 122.67 1gpx n ASP 9 Ca 0.03 -1.98 0.00 0.00 -0.50 0.00 0.00 54.79 52.33 1gpx n ASP 9 Cb 0.19 -0.08 0.00 0.00 -1.14 0.00 0.00 41.12 40.09 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 1.38 2.63 3.59 6.12 0.00 -1.26 -5.06 105.19 112.58 1gpx n GLY 10 Ca 0.16 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.79 1.78 -4.24 2.61 -1.04 -1.26 -4.63 114.28 106.71 1gpx n THR 11 Ca 0.00 -0.44 -0.19 0.00 -2.04 0.00 0.00 64.05 61.37 1gpx n THR 11 Cb 0.00 -0.99 -0.12 0.00 -1.82 0.00 0.00 70.33 67.40 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 -1.32 0.88 -0.06 -2.82 0.52 -1.26 0.74 118.95 115.64 1gpx s ARG 12 Ca 0.61 -0.91 -0.02 0.00 -0.52 0.00 0.00 55.73 54.89 1gpx s ARG 12 Cb -0.72 -0.91 0.03 0.00 0.52 0.00 0.00 34.95 33.87 1gpx s ARG 12 CO 0.58 0.21 0.07 0.50 0.02 0.00 0.00 175.30 176.68 1gpx s ARG 13 N -1.56 -0.06 -0.24 3.54 3.52 0.47 -4.91 118.95 119.70 1gpx s ARG 13 Ca -0.00 0.34 -0.10 0.00 -0.13 0.00 0.00 55.73 55.83 1gpx s ARG 13 Cb -0.09 -0.65 -0.05 0.00 -1.56 0.00 0.00 34.95 32.60 1gpx s ARG 13 CO 0.02 -0.37 0.16 -1.21 -0.81 0.00 0.00 175.30 173.09 1gpx s GLU 14 N 2.17 4.03 0.13 5.12 8.01 -1.26 0.29 118.70 137.19 1gpx s GLU 14 Ca 0.05 -0.29 0.06 0.00 0.01 0.00 0.00 54.97 54.80 1gpx s GLU 14 Cb -0.12 -3.53 -0.04 0.00 -4.31 0.00 0.00 34.13 26.13 1gpx s GLU 14 CO -0.04 0.03 -0.02 -0.51 0.01 0.00 0.00 175.26 174.73 1gpx s LEU 15 N 1.13 3.30 -0.79 1.80 1.43 0.37 -4.95 118.68 120.98 1gpx s LEU 15 Ca 0.07 -0.31 -0.12 0.00 -1.03 0.00 0.00 54.13 52.74 1gpx s LEU 15 Cb -0.14 -2.02 0.21 0.00 0.03 0.00 0.00 46.19 44.27 1gpx s LEU 15 CO 0.05 0.14 0.71 -0.62 0.23 0.00 0.00 176.35 176.86 1gpx s ASP 16 N -2.54 6.49 0.53 2.29 2.15 -1.26 -1.05 116.67 123.29 1gpx s ASP 16 Ca 0.25 -2.70 0.07 0.00 0.43 0.00 0.00 52.55 50.61 1gpx s ASP 16 Cb -0.11 -2.15 0.06 0.00 -0.30 0.00 0.00 42.92 40.42 1gpx s ASP 16 CO 0.17 -0.54 0.73 -0.69 -0.17 0.00 0.00 175.17 174.67 1gpx s VAL 17 N 0.15 2.50 0.00 1.11 1.01 -0.66 -4.90 120.40 119.62 1gpx s VAL 17 Ca 0.17 -0.93 0.00 0.00 0.00 0.00 0.00 61.98 61.22 1gpx s VAL 17 Cb -0.12 -2.57 0.00 0.00 0.00 0.00 0.00 36.38 33.68 1gpx s VAL 17 CO -0.08 0.00 0.00 0.00 0.00 0.00 0.00 175.10 175.02 1gpx n ALA 18 N -2.17 0.00 -3.20 5.51 0.00 -1.26 0.31 120.51 119.70 1gpx n ALA 18 Ca 0.12 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.21 1gpx n ALA 18 Cb 0.60 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.92 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 4.60 0.00 0.00 -4.77 -1.23 -2.80 116.67 113.47 1gpx s ASP 19 Ca 0.00 -0.26 0.00 0.00 -3.30 0.00 0.00 52.55 48.99 1gpx s ASP 19 Cb 0.00 -1.78 0.00 0.00 -1.09 0.00 0.00 42.92 40.05 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 4.31 0.95 3.98 2.12 0.00 -1.18 -5.02 105.19 110.34 1gpx n GLY 20 Ca -0.18 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.04 2.76 0.39 1.61 1.01 -1.26 -4.84 120.40 118.03 1gpx s VAL 21 Ca 0.00 -0.69 0.07 0.00 0.00 0.00 0.00 61.98 61.36 1gpx s VAL 21 Cb 0.00 -3.02 -0.08 0.00 0.00 0.00 0.00 36.38 33.28 1gpx s VAL 21 CO 0.00 -0.02 0.00 -0.94 0.00 0.00 0.00 175.10 174.15 1gpx s SER 22 N -4.41 3.61 0.37 3.32 1.04 -1.26 0.95 113.70 117.31 1gpx s SER 22 Ca 0.57 -1.35 0.04 0.00 0.48 0.00 0.00 55.95 55.69 1gpx s SER 22 Cb -0.10 -0.34 0.70 0.00 0.10 0.00 0.00 66.02 66.38 1gpx s SER 22 CO 0.38 -0.44 2.00 -0.07 0.98 0.00 0.00 173.24 176.08 1gpx h LEU 23 N 1.87 0.59 0.51 2.42 3.38 -1.64 -3.01 115.31 119.43 1gpx h LEU 23 Ca -0.43 -0.04 -0.03 0.00 0.09 0.00 0.00 57.88 57.48 1gpx h LEU 23 Cb 1.24 -0.15 0.01 0.00 0.09 0.00 0.00 40.66 41.85 1gpx h LEU 23 CO 0.78 0.48 -0.25 -0.03 0.09 0.00 0.00 178.44 179.51 1gpx h MET 24 N 0.68 -0.66 0.00 1.13 4.05 -1.32 -3.14 114.93 115.66 1gpx h MET 24 Ca 0.18 0.05 0.00 0.00 -0.28 0.00 0.00 59.70 59.64 1gpx h MET 24 Cb 0.01 0.15 0.00 0.00 -0.80 0.00 0.00 31.60 30.96 1gpx h MET 24 CO -0.03 -0.44 0.00 0.94 0.23 0.00 0.00 176.91 177.61 1gpx n GLN 25 N -4.54 0.00 -0.28 0.39 7.27 -1.14 0.35 117.38 119.42 1gpx n GLN 25 Ca -0.09 0.60 -0.07 0.00 0.07 0.00 0.00 57.00 57.52 1gpx n GLN 25 Cb 0.27 -1.06 -0.03 0.00 2.41 0.00 0.00 30.24 31.84 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 -1.52 -0.23 0.15 1.69 0.00 -1.71 0.17 119.26 117.81 1gpx h ALA 26 Ca 0.00 0.15 0.01 0.00 0.00 0.00 0.00 54.91 55.07 1gpx h ALA 26 Cb 0.00 1.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.79 1gpx h ALA 26 CO 0.00 -0.79 -0.21 0.00 0.00 0.00 0.00 179.25 178.25 1gpx h ALA 27 N 0.80 -0.38 -0.53 0.00 0.00 -1.28 -1.61 119.26 116.26 1gpx h ALA 27 Ca 0.22 -0.04 0.05 0.00 0.00 0.00 0.00 54.91 55.13 1gpx h ALA 27 Cb 0.55 0.32 -0.06 0.00 0.00 0.00 0.00 17.79 18.60 1gpx h ALA 27 CO -0.80 -0.75 -0.31 0.28 0.00 0.00 0.00 179.25 177.67 1gpx n VAL 28 N -5.33 -0.36 -0.12 0.00 0.31 1.06 0.12 118.33 114.01 1gpx n VAL 28 Ca -0.07 1.65 -0.07 0.00 -0.01 0.00 0.00 64.34 65.84 1gpx n VAL 28 Cb 0.25 -2.07 0.01 0.00 -0.91 0.00 0.00 33.84 31.12 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 0.31 0.00 4.52 0.87 -1.20 0.77 113.55 118.83 1gpx h SER 29 Ca 0.08 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.66 1gpx h SER 29 Cb 0.22 -0.05 0.00 0.00 -0.44 0.00 0.00 62.40 62.13 1gpx h SER 29 CO -0.50 0.23 0.00 0.59 -0.53 0.00 0.00 176.83 176.62 1gpx n ASN 30 N -4.91 0.00 0.00 6.23 3.02 0.23 -4.73 115.26 115.10 1gpx n ASN 30 Ca 0.01 0.43 0.00 0.00 -0.03 0.00 0.00 54.58 54.99 1gpx n ASN 30 Cb 0.08 -0.43 0.00 0.00 -0.61 0.00 0.00 39.78 38.82 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 2.45 0.38 7.41 0.00 0.31 -4.86 105.19 109.45 1gpx n GLY 31 Ca 0.00 0.00 0.31 0.00 0.00 0.00 0.00 46.02 46.33 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 0.17 -3.00 -0.61 2.04 -1.12 -2.05 117.51 112.94 1gpx h ILE 32 Ca 0.00 -0.05 -0.68 0.00 1.00 0.00 0.00 64.86 65.12 1gpx h ILE 32 Cb 0.00 -0.00 -0.37 0.00 -0.74 0.00 0.00 36.82 35.71 1gpx h ILE 32 CO 0.00 0.03 -0.16 -1.22 0.00 0.00 0.00 178.15 176.79 1gpx n TYR 33 N -4.96 3.73 0.31 1.37 4.01 -1.24 -4.85 117.16 115.53 1gpx n TYR 33 Ca 0.35 -3.99 0.11 0.00 -0.16 0.00 0.00 57.90 54.22 1gpx n TYR 33 Cb 1.22 -0.95 0.56 0.00 -0.31 0.00 0.00 39.34 39.86 1gpx n TYR 33 CO 0.00 0.00 0.00 0.38 -0.46 0.00 0.00 176.86 176.78 1gpx h ASP 34 N 5.44 0.00 -1.11 7.72 3.04 -1.66 -3.28 116.42 126.58 1gpx h ASP 34 Ca 0.17 0.00 -0.57 0.00 -3.24 0.00 0.00 57.03 53.40 1gpx h ASP 34 Cb 0.74 0.00 -0.09 0.00 -1.04 0.00 0.00 39.33 38.94 1gpx h ASP 34 CO 0.89 0.00 1.41 -0.51 -2.04 0.00 0.00 179.24 178.99 1gpx s ILE 35 N -4.10 3.87 0.00 4.15 2.07 -1.26 -4.69 121.20 121.24 1gpx s ILE 35 Ca -0.02 -0.69 0.00 0.00 -1.41 0.00 0.00 60.65 58.53 1gpx s ILE 35 Cb 0.07 -4.95 0.00 0.00 0.13 0.00 0.00 42.46 37.71 1gpx s ILE 35 CO 0.21 -1.84 0.98 0.55 -1.91 0.00 0.00 174.94 172.93 1gpx n VAL 36 N 6.98 0.96 -1.05 4.00 3.14 -1.24 -4.61 118.33 126.51 1gpx n VAL 36 Ca 0.33 -0.98 0.05 0.00 -2.96 0.00 0.00 64.34 60.78 1gpx n VAL 36 Cb 0.51 0.52 0.27 0.00 -1.06 0.00 0.00 33.84 34.08 1gpx n VAL 36 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1gpx n GLY 37 N -0.48 4.00 1.00 7.55 0.00 -1.26 -4.20 105.19 111.80 1gpx n GLY 37 Ca 0.00 -1.05 0.00 0.00 0.00 0.00 0.00 46.02 44.97 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 -0.43 0.01 -0.06 1.61 9.92 -1.26 -4.95 116.55 121.38 1gpx n ASP 38 Ca 0.26 0.00 -0.13 0.00 -0.53 0.00 0.00 54.79 54.39 1gpx n ASP 38 Cb 1.01 -0.00 -0.04 0.00 -0.64 0.00 0.00 41.12 41.44 1gpx n ASP 38 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1gpx n GLY 40 N 2.20 -0.36 1.92 0.00 0.00 -1.26 0.11 105.19 107.80 1gpx n GLY 40 Ca -0.24 0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.90 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 -1.56 0.45 0.00 -0.02 0.00 -1.26 -4.94 105.19 97.86 1gpx n GLY 41 Ca -0.03 -0.86 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 -1.14 0.00 0.00 0.00 173.32 172.18 1gpx n SER 42 N 1.92 4.55 -2.15 1.61 3.41 0.31 -5.07 113.62 118.20 1gpx n SER 42 Ca 0.00 0.00 -0.05 0.00 -0.26 0.00 0.00 58.87 58.56 1gpx n SER 42 Cb 0.49 0.37 0.02 0.00 -0.26 0.00 0.00 64.21 64.83 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 -2.06 -1.30 -0.62 7.33 0.00 -1.24 -4.99 120.51 117.63 1gpx n ALA 43 Ca 0.00 0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.49 1gpx n ALA 43 Cb 0.48 -2.30 0.00 0.00 0.00 0.00 0.00 19.45 17.63 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 -2.06 0.73 -4.68 0.00 2.88 -1.26 -4.66 113.62 104.57 1gpx n SER 44 Ca -0.02 -1.35 -0.23 0.00 -1.33 0.00 0.00 58.87 55.93 1gpx n SER 44 Cb 0.54 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.93 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 -1.00 2.25 0.39 0.00 0.00 -1.21 -4.19 120.51 116.74 1gpx n ALA 46 Ca -0.05 -0.35 0.12 0.00 0.00 0.00 0.00 53.44 53.16 1gpx n ALA 46 Cb 0.60 -0.28 0.51 0.00 0.00 0.00 0.00 19.45 20.28 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 -1.99 0.82 -0.02 0.00 5.66 -1.26 -1.63 114.28 115.86 1gpx n THR 47 Ca -0.05 0.23 0.07 0.00 -3.05 0.00 0.00 64.05 61.26 1gpx n THR 47 Cb 0.40 -1.18 0.27 0.00 -1.55 0.00 0.00 70.33 68.27 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 0.85 0.84 -3.91 0.00 -0.00 -0.65 0.27 115.22 112.61 1gpx n HIS 49 Ca 0.19 0.77 -0.09 0.00 0.46 0.00 0.00 57.72 59.05 1gpx n HIS 49 Cb 0.66 -2.18 -0.09 0.00 -0.12 0.00 0.00 29.99 28.26 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 -0.83 0.14 -0.16 3.57 -7.23 0.86 -4.08 120.40 112.67 1gpx s VAL 50 Ca 0.64 -1.18 0.02 0.00 -1.81 0.00 0.00 61.98 59.65 1gpx s VAL 50 Cb -0.80 -1.12 0.02 0.00 0.56 0.00 0.00 36.38 35.04 1gpx s VAL 50 CO 0.57 -0.65 -0.21 -0.31 -0.31 0.00 0.00 175.10 174.20 1gpx s TYR 51 N -3.16 2.74 0.10 2.82 2.02 0.75 -0.32 117.35 122.31 1gpx s TYR 51 Ca -0.00 -1.52 0.00 0.00 -0.37 0.00 0.00 57.07 55.18 1gpx s TYR 51 Cb 0.02 -1.88 -0.04 0.00 -0.40 0.00 0.00 41.96 39.66 1gpx s TYR 51 CO -0.07 -0.73 0.26 0.08 -1.57 0.00 0.00 175.55 173.52 1gpx s VAL 52 N 1.10 5.34 -0.04 0.71 1.01 -1.26 0.26 120.40 127.52 1gpx s VAL 52 Ca 0.00 -0.45 -0.30 0.00 0.00 0.00 0.00 61.98 61.23 1gpx s VAL 52 Cb -0.14 -3.67 -0.04 0.00 0.00 0.00 0.00 36.38 32.53 1gpx s VAL 52 CO -0.08 0.04 1.24 0.54 0.00 0.00 0.00 175.10 176.83 1gpx s ASN 53 N -2.78 7.02 0.40 3.32 6.03 0.17 -4.76 114.94 124.34 1gpx s ASN 53 Ca 0.36 1.87 0.34 0.00 -1.03 0.00 0.00 52.86 54.40 1gpx s ASN 53 Cb -0.12 -2.56 1.16 0.00 -3.03 0.00 0.00 41.25 36.70 1gpx s ASN 53 CO 0.28 -0.61 1.08 -1.84 -2.03 0.00 0.00 177.10 173.99 1gpx n GLU 54 N 5.20 0.00 0.23 3.55 0.00 -1.26 0.13 120.64 128.50 1gpx n GLU 54 Ca 0.11 0.76 0.16 0.00 0.00 0.00 0.00 57.16 58.20 1gpx n GLU 54 Cb 0.46 -1.78 0.81 0.00 0.00 0.00 0.00 31.44 30.93 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 0.66 1.00 0.00 -1.84 0.00 -1.97 -2.85 119.26 114.27 1gpx h ALA 55 Ca 0.63 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.54 1gpx h ALA 55 Cb 2.62 0.00 0.00 0.00 0.00 0.00 0.00 17.79 20.41 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 -2.65 0.00 0.10 0.00 3.01 0.35 -4.62 117.46 113.65 1gpx n PHE 56 Ca -0.01 0.00 -0.16 0.00 1.01 0.00 0.00 57.45 58.29 1gpx n PHE 56 Cb 0.11 0.00 -0.14 0.00 -0.01 0.00 0.00 39.48 39.44 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 0.03 1.48 0.00 4.37 1.35 -1.28 -3.05 112.91 115.82 1gpx h THR 57 Ca 0.00 -3.06 0.00 0.00 -0.55 0.00 0.00 66.41 62.80 1gpx h THR 57 Cb 0.01 2.93 0.00 0.00 -1.73 0.00 0.00 68.15 69.36 1gpx h THR 57 CO 0.00 0.89 0.00 -2.24 -0.25 0.00 0.00 175.52 173.92 1gpx h ASP 58 N 0.07 0.00 0.02 5.36 2.03 -1.78 -3.27 116.42 118.84 1gpx h ASP 58 Ca -0.14 0.00 -0.00 0.00 -0.73 0.00 0.00 57.03 56.16 1gpx h ASP 58 Cb 1.97 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 40.47 1gpx h ASP 58 CO 0.20 0.00 -0.01 0.11 -1.03 0.00 0.00 179.24 178.51 1gpx h LYS 59 N 0.00 -0.03 -6.93 4.15 1.57 -1.81 -3.46 116.57 110.07 1gpx h LYS 59 Ca 0.00 0.00 -0.47 0.00 -1.87 0.00 0.00 60.65 58.31 1gpx h LYS 59 Cb 0.67 0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.99 1gpx h LYS 59 CO 0.00 0.37 0.38 0.54 -0.57 0.00 0.00 179.45 180.17 1gpx s VAL 60 N -1.96 3.98 0.89 0.50 0.11 -1.15 -5.02 120.40 117.75 1gpx s VAL 60 Ca -0.08 1.56 -0.10 0.00 -2.93 0.00 0.00 61.98 60.42 1gpx s VAL 60 Cb -0.01 -3.82 0.13 0.00 -1.53 0.00 0.00 36.38 31.15 1gpx s VAL 60 CO 0.29 0.05 1.14 -2.16 -3.33 0.00 0.00 175.10 171.09 1gpx s PRO 61 N -2.32 1.19 0.14 1.54 0.04 -1.26 -4.84 135.00 129.49 1gpx s PRO 61 Ca 0.54 1.50 -0.02 0.00 0.04 0.00 0.00 61.00 63.06 1gpx s PRO 61 Cb -0.20 -1.75 0.03 0.00 0.04 0.00 0.00 34.50 32.62 1gpx s PRO 61 CO 0.25 -2.50 0.19 0.00 0.04 0.00 0.00 177.00 174.99 1gpx n ALA 62 N -4.14 -0.21 -2.96 8.56 0.00 -1.26 -4.93 120.51 115.57 1gpx n ALA 62 Ca 0.11 -0.25 -0.22 0.00 0.00 0.00 0.00 53.44 53.08 1gpx n ALA 62 Cb 0.52 -0.01 -0.02 0.00 0.00 0.00 0.00 19.45 19.94 1gpx n ALA 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1gpx s ALA 63 N -3.93 3.93 0.22 0.00 0.00 -1.26 -5.01 121.76 115.71 1gpx s ALA 63 Ca 0.11 -1.19 0.04 0.00 0.00 0.00 0.00 51.96 50.91 1gpx s ALA 63 Cb -0.00 -1.73 0.04 0.00 0.00 0.00 0.00 23.12 21.43 1gpx s ALA 63 CO 0.08 0.30 0.30 0.27 0.00 0.00 0.00 175.76 176.71 1gpx n ASN 64 N -1.22 0.83 0.04 0.00 0.23 -1.26 -4.89 115.26 109.00 1gpx n ASN 64 Ca -0.09 -1.59 0.21 0.00 -0.53 0.00 0.00 54.58 52.59 1gpx n ASN 64 Cb 0.56 -0.15 0.60 0.00 -2.08 0.00 0.00 39.78 38.71 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 0.75 -3.83 4.11 -2.01 -0.78 114.58 112.82 1gpx h GLU 65 Ca -0.10 0.00 -0.04 0.00 0.07 0.00 0.00 59.36 59.29 1gpx h GLU 65 Cb 0.47 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.73 1gpx h GLU 65 CO 0.15 0.00 -0.36 -0.09 0.07 0.00 0.00 179.01 178.78 1gpx h ARG 66 N 0.00 -0.97 -0.16 1.06 2.43 -1.93 -2.69 114.38 112.13 1gpx h ARG 66 Ca 0.25 0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.49 1gpx h ARG 66 Cb 1.71 0.22 0.00 0.00 -0.42 0.00 0.00 29.97 31.48 1gpx h ARG 66 CO -0.00 -0.63 0.00 -1.91 -1.51 0.00 0.00 179.97 175.91 1gpx n GLU 67 N -5.45 0.35 -0.01 0.20 2.13 -0.31 -2.97 120.64 114.58 1gpx n GLU 67 Ca -0.13 0.00 -0.17 0.00 0.66 0.00 0.00 57.16 57.52 1gpx n GLU 67 Cb 0.40 -1.08 -0.14 0.00 0.27 0.00 0.00 31.44 30.89 1gpx n GLU 67 CO 0.00 0.00 0.00 -0.89 -0.41 0.00 0.00 177.13 175.83 1gpx n ILE 68 N -0.12 1.72 -0.08 6.31 -0.00 -1.01 -3.66 119.36 122.52 1gpx n ILE 68 Ca 0.00 -0.70 -0.09 0.00 -0.00 0.00 0.00 62.75 61.96 1gpx n ILE 68 Cb 0.04 -1.50 -0.04 0.00 -0.00 0.00 0.00 39.64 38.13 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 1.88 -0.92 0.29 7.39 0.00 -1.16 -2.36 105.19 110.31 1gpx n GLY 69 Ca -0.28 -0.09 0.09 0.00 0.00 0.00 0.00 46.02 45.73 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 -1.00 0.27 -0.03 1.61 -0.00 -1.81 2.45 114.93 116.41 1gpx h MET 70 Ca -0.10 -0.02 -0.12 0.00 -0.00 0.00 0.00 59.70 59.46 1gpx h MET 70 Cb 0.74 -0.06 -0.01 0.00 -0.00 0.00 0.00 31.60 32.26 1gpx h MET 70 CO -0.06 0.18 -0.54 1.25 -0.00 0.00 0.00 176.91 177.73 1gpx h LEU 71 N 0.28 0.10 0.00 -0.10 6.46 -1.73 -2.87 115.31 117.45 1gpx h LEU 71 Ca 0.47 -0.05 0.00 0.00 -0.12 0.00 0.00 57.88 58.19 1gpx h LEU 71 Cb 0.87 -0.03 0.00 0.00 -0.73 0.00 0.00 40.66 40.77 1gpx h LEU 71 CO -0.56 0.62 -0.62 1.21 -0.62 0.00 0.00 178.44 178.48 1gpx n GLU 72 N -3.90 0.08 -0.17 1.25 2.13 0.22 -4.26 120.64 115.99 1gpx n GLU 72 Ca -0.02 0.01 -0.03 0.00 0.66 0.00 0.00 57.16 57.79 1gpx n GLU 72 Cb 0.56 -1.54 0.03 0.00 0.27 0.00 0.00 31.44 30.76 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 -6.18 4.60 -0.82 0.00 -7.23 -1.26 -4.95 120.40 104.56 1gpx s VAL 74 Ca -0.14 -0.96 -0.26 0.00 -1.81 0.00 0.00 61.98 58.80 1gpx s VAL 74 Cb 0.17 -4.67 -0.18 0.00 0.56 0.00 0.00 36.38 32.25 1gpx s VAL 74 CO 0.72 -1.40 2.51 1.07 -0.31 0.00 0.00 175.10 177.69 1gpx n THR 75 N 5.65 -0.03 -2.44 5.32 5.66 -1.20 -4.73 114.28 122.51 1gpx n THR 75 Ca 0.05 -0.36 -0.19 0.00 -3.05 0.00 0.00 64.05 60.50 1gpx n THR 75 Cb 0.46 -1.29 0.02 0.00 -1.55 0.00 0.00 70.33 67.96 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 12.31 4.37 -4.12 1.79 0.00 -1.26 -4.90 120.51 128.70 1gpx n ALA 76 Ca 0.55 -3.72 -0.44 0.00 0.00 0.00 0.00 53.44 49.84 1gpx n ALA 76 Cb 0.24 -0.61 -0.00 0.00 0.00 0.00 0.00 19.45 19.08 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 -0.47 -0.33 -0.72 0.00 0.28 -1.26 -4.59 120.64 113.54 1gpx n GLU 77 Ca 0.30 0.04 -0.28 0.00 -0.16 0.00 0.00 57.16 57.06 1gpx n GLU 77 Cb 0.79 -2.51 -0.03 0.00 1.43 0.00 0.00 31.44 31.12 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 -4.89 -0.11 -5.01 -1.84 7.94 -1.26 -4.93 117.00 106.90 1gpx n LEU 78 Ca -0.14 0.56 -0.18 0.00 -1.11 0.00 0.00 56.01 55.14 1gpx n LEU 78 Cb 0.56 -0.45 0.02 0.00 0.53 0.00 0.00 43.42 44.08 1gpx n LEU 78 CO 0.74 -1.02 0.20 -0.54 -1.11 0.00 0.00 177.39 175.67 1gpx s LYS 79 N -0.08 2.73 0.40 1.96 1.02 -1.26 -4.97 119.74 119.54 1gpx s LYS 79 Ca 0.42 -1.21 0.16 0.00 0.02 0.00 0.00 55.97 55.36 1gpx s LYS 79 Cb -0.59 -2.71 0.85 0.00 -0.52 0.00 0.00 37.83 34.86 1gpx s LYS 79 CO 0.28 -0.40 1.86 -1.00 -0.92 0.00 0.00 175.35 175.17 1gpx h PRO 80 N 0.50 0.00 -0.01 -1.68 0.13 -2.01 -2.87 132.00 126.06 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 -0.38 0.27 -0.23 0.00 0.00 178.00 178.44 1gpx n ASN 81 N -3.97 1.62 -4.25 1.44 6.94 -1.26 -5.01 115.26 110.77 1gpx n ASN 81 Ca -0.02 -1.31 -0.34 0.00 -0.02 0.00 0.00 54.58 52.89 1gpx n ASN 81 Cb 0.38 0.50 0.11 0.00 -2.36 0.00 0.00 39.78 38.42 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 -0.19 -2.99 -3.69 0.53 7.64 -1.09 -4.17 113.62 109.66 1gpx n SER 82 Ca 0.07 0.12 0.02 0.00 1.01 0.00 0.00 58.87 60.08 1gpx n SER 82 Cb 0.35 -0.96 0.00 0.00 -1.01 0.00 0.00 64.21 62.59 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 -3.08 0.48 -0.02 1.43 0.52 0.57 -4.91 118.95 113.93 1gpx s ARG 83 Ca 0.51 -0.29 -0.09 0.00 -0.52 0.00 0.00 55.73 55.34 1gpx s ARG 83 Cb -0.14 0.14 -0.05 0.00 0.52 0.00 0.00 34.95 35.43 1gpx s ARG 83 CO 0.70 -0.22 0.29 -1.17 0.02 0.00 0.00 175.30 174.91 1gpx s LEU 84 N -3.37 4.40 0.55 2.53 0.20 -1.26 0.30 118.68 122.03 1gpx s LEU 84 Ca 0.21 0.67 0.41 0.00 0.69 0.00 0.00 54.13 56.11 1gpx s LEU 84 Cb 0.02 -2.53 1.60 0.00 -0.43 0.00 0.00 46.19 44.85 1gpx s LEU 84 CO -0.02 0.30 1.73 0.28 -0.29 0.00 0.00 176.35 178.35 1gpx h SER 85 N 4.40 0.00 -0.93 3.68 0.02 0.35 0.45 113.55 121.52 1gpx h SER 85 Ca -0.52 0.00 -0.62 0.00 -0.84 0.00 0.00 61.79 59.82 1gpx h SER 85 Cb 1.21 0.00 -0.27 0.00 0.14 0.00 0.00 62.40 63.48 1gpx h SER 85 CO 0.63 0.00 0.80 0.00 -1.14 0.00 0.00 176.83 177.12 1gpx n GLN 87 N -0.79 0.00 -3.06 0.00 -0.06 0.16 -3.60 117.38 110.03 1gpx n GLN 87 Ca 0.59 0.00 -0.32 0.00 -2.00 0.00 0.00 57.00 55.26 1gpx n GLN 87 Cb 0.76 -0.59 -0.06 0.00 -4.06 0.00 0.00 30.24 26.29 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 -1.82 4.69 0.29 1.69 1.01 -1.26 -4.99 121.20 120.80 1gpx s ILE 88 Ca 0.00 0.91 0.09 0.00 0.00 0.00 0.00 60.65 61.65 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 -0.26 0.08 -0.63 0.00 0.00 0.00 174.94 174.13 1gpx s ILE 89 N -2.08 3.53 -0.32 2.92 -1.09 -1.26 -3.31 121.20 119.59 1gpx s ILE 89 Ca 0.54 -1.74 -0.06 0.00 -2.23 0.00 0.00 60.65 57.17 1gpx s ILE 89 Cb -0.10 -3.00 0.03 0.00 -1.58 0.00 0.00 42.46 37.81 1gpx s ILE 89 CO 0.20 -0.31 0.08 -0.32 -1.23 0.00 0.00 174.94 173.36 1gpx s MET 90 N -3.76 2.72 0.34 2.79 1.75 0.27 -4.91 119.30 118.50 1gpx s MET 90 Ca 0.34 -1.10 -0.04 0.00 -1.25 0.00 0.00 55.69 53.63 1gpx s MET 90 Cb -0.06 -3.37 -0.05 0.00 2.84 0.00 0.00 34.83 34.19 1gpx s MET 90 CO 0.22 -0.59 0.61 0.95 -0.65 0.00 0.00 175.02 175.56 1gpx s THR 91 N 1.40 5.00 -1.86 10.11 -4.23 -1.26 -3.09 115.64 121.71 1gpx s THR 91 Ca -0.01 0.03 0.14 0.00 -1.18 0.00 0.00 61.69 60.67 1gpx s THR 91 Cb -0.19 -3.78 0.36 0.00 1.34 0.00 0.00 72.50 70.24 1gpx s THR 91 CO 0.02 -0.47 1.29 -0.81 -0.54 0.00 0.00 174.62 174.11 1gpx n PRO 92 N -1.35 0.38 -0.04 3.99 -0.04 -1.26 -2.53 135.00 134.14 1gpx n PRO 92 Ca -0.02 0.04 -0.03 0.00 -0.04 0.00 0.00 63.50 63.46 1gpx n PRO 92 Cb 0.55 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.43 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 -1.07 1.90 -2.36 0.54 0.00 -1.26 -4.65 120.64 113.73 1gpx n GLU 93 Ca 0.10 -0.03 -0.40 0.00 0.00 0.00 0.00 57.16 56.83 1gpx n GLU 93 Cb 0.06 -1.26 0.01 0.00 0.00 0.00 0.00 31.44 30.26 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 -2.26 7.51 -4.91 -1.84 4.77 -1.05 -4.99 117.00 114.24 1gpx n LEU 94 Ca -0.13 -5.15 -0.30 0.00 -0.03 0.00 0.00 56.01 50.40 1gpx n LEU 94 Cb 0.70 -1.21 -0.04 0.00 -2.33 0.00 0.00 43.42 40.54 1gpx n LEU 94 CO 0.22 2.01 -0.15 -0.62 -1.33 0.00 0.00 177.39 177.51 1gpx s ASP 95 N -0.83 6.24 0.00 -1.43 -1.08 -1.26 -4.46 116.67 113.86 1gpx s ASP 95 Ca 0.45 0.21 0.00 0.00 -0.52 0.00 0.00 52.55 52.69 1gpx s ASP 95 Cb 0.22 -1.88 0.00 0.00 -1.46 0.00 0.00 42.92 39.80 1gpx s ASP 95 CO -0.16 0.14 0.00 0.61 0.52 0.00 0.00 175.17 176.29 1gpx n GLY 96 N 0.13 1.15 3.77 2.66 0.00 0.23 -4.76 105.19 108.36 1gpx n GLY 96 Ca -0.06 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.58 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 3.75 -0.17 -0.61 -1.16 -0.76 -4.89 121.20 115.36 1gpx s ILE 97 Ca 0.00 1.57 -0.05 0.00 -0.51 0.00 0.00 60.65 61.66 1gpx s ILE 97 Cb 0.00 -3.92 -0.03 0.00 0.61 0.00 0.00 42.46 39.12 1gpx s ILE 97 CO 0.00 0.22 -0.01 -0.69 -2.81 0.00 0.00 174.94 171.65 1gpx s VAL 98 N -1.40 4.07 0.37 4.00 1.01 -1.26 -0.25 120.40 126.94 1gpx s VAL 98 Ca 0.49 -0.29 0.05 0.00 0.00 0.00 0.00 61.98 62.23 1gpx s VAL 98 Cb -0.26 -2.80 0.05 0.00 0.00 0.00 0.00 36.38 33.37 1gpx s VAL 98 CO 0.33 0.47 0.42 0.52 0.00 0.00 0.00 175.10 176.84 1gpx n VAL 99 N 3.68 0.00 -3.63 2.92 0.31 0.44 -0.65 118.33 121.39 1gpx n VAL 99 Ca -0.17 -1.33 -0.12 0.00 -0.01 0.00 0.00 64.34 62.71 1gpx n VAL 99 Cb 0.52 -0.48 -0.07 0.00 -0.91 0.00 0.00 33.84 32.90 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 -3.24 -0.73 -0.43 4.52 1.01 0.73 -2.77 116.67 115.76 1gpx s ASP 100 Ca 0.32 1.36 -0.17 0.00 0.71 0.00 0.00 52.55 54.76 1gpx s ASP 100 Cb -0.03 1.36 0.03 0.00 1.01 0.00 0.00 42.92 45.30 1gpx s ASP 100 CO 0.20 -0.23 0.45 -0.69 0.21 0.00 0.00 175.17 175.11 1gpx s VAL 101 N 0.59 5.08 -0.40 -1.27 1.01 0.48 0.27 120.40 126.15 1gpx s VAL 101 Ca -0.01 -0.41 -0.28 0.00 0.00 0.00 0.00 61.98 61.28 1gpx s VAL 101 Cb -0.05 -4.07 -0.01 0.00 0.00 0.00 0.00 36.38 32.25 1gpx s VAL 101 CO -0.04 -0.47 1.74 -2.16 0.00 0.00 0.00 175.10 174.17 1gpx s PRO 102 N 2.15 3.23 -0.33 2.72 0.04 -1.26 -3.73 135.00 137.83 1gpx s PRO 102 Ca 0.12 1.17 -0.05 0.00 0.04 0.00 0.00 61.00 62.28 1gpx s PRO 102 Cb -0.18 -4.21 0.04 0.00 0.04 0.00 0.00 34.50 30.20 1gpx s PRO 102 CO 0.13 -1.99 0.07 0.34 0.04 0.00 0.00 177.00 175.59 1gpx s ASP 103 N 6.11 5.17 -0.75 6.66 2.15 -1.26 -4.96 116.67 129.80 1gpx s ASP 103 Ca 0.74 -1.18 -0.03 0.00 0.43 0.00 0.00 52.55 52.50 1gpx s ASP 103 Cb -0.19 -1.81 0.19 0.00 -0.30 0.00 0.00 42.92 40.81 1gpx s ASP 103 CO 0.31 -0.30 0.60 -0.13 -0.17 0.00 0.00 175.17 175.47 1gpx s ARG 104 N 1.35 2.93 -0.13 4.34 3.00 -1.26 -4.84 118.95 124.34 1gpx s ARG 104 Ca -0.03 -2.81 0.15 0.00 0.00 0.00 0.00 55.73 53.04 1gpx s ARG 104 Cb -0.20 -3.88 0.53 0.00 0.00 0.00 0.00 34.95 31.40 1gpx s ARG 104 CO 0.02 -1.22 1.44 0.94 0.00 0.00 0.00 175.30 176.48 1gpx n GLN 105 N 3.09 3.22 0.00 3.54 7.27 -1.26 -5.03 117.38 128.21 1gpx n GLN 105 Ca 0.13 -2.69 0.00 0.00 0.07 0.00 0.00 57.00 54.51 1gpx n GLN 105 Cb 0.38 -1.76 0.00 0.00 2.41 0.00 0.00 30.24 31.28 1gpx n GLN 105 CO 0.00 0.00 0.00 1.87 0.07 0.00 0.00 177.06 179.00