#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 3.23 0.03 1.43 2.20 -1.26 0.26 119.74 125.63 1gpx s LYS 2 Ca 0.00 0.75 0.03 0.00 -0.36 0.00 0.00 55.97 56.40 1gpx s LYS 2 Cb 0.00 -4.17 -0.04 0.00 -1.51 0.00 0.00 37.83 32.11 1gpx s LYS 2 CO 0.00 -2.01 -0.04 0.08 -0.36 0.00 0.00 175.35 173.02 1gpx s VAL 3 N 6.68 3.82 -0.04 4.02 1.01 0.22 -0.94 120.40 135.16 1gpx s VAL 3 Ca 0.62 -0.82 0.02 0.00 0.00 0.00 0.00 61.98 61.81 1gpx s VAL 3 Cb -0.14 -2.71 0.01 0.00 0.00 0.00 0.00 36.38 33.54 1gpx s VAL 3 CO 0.27 0.31 -0.10 -0.69 0.00 0.00 0.00 175.10 174.90 1gpx s VAL 4 N -1.10 0.88 -0.16 2.92 1.01 0.63 0.29 120.40 124.87 1gpx s VAL 4 Ca 0.20 -0.37 -0.03 0.00 0.00 0.00 0.00 61.98 61.78 1gpx s VAL 4 Cb -0.11 -0.81 -0.02 0.00 0.00 0.00 0.00 36.38 35.43 1gpx s VAL 4 CO 0.11 0.29 -0.05 -0.31 0.00 0.00 0.00 175.10 175.13 1gpx s TYR 5 N 0.49 2.98 -0.28 5.22 2.02 0.85 0.25 117.35 128.88 1gpx s TYR 5 Ca -0.09 -0.41 -0.10 0.00 -0.37 0.00 0.00 57.07 56.10 1gpx s TYR 5 Cb -0.12 -1.95 -0.04 0.00 -0.40 0.00 0.00 41.96 39.45 1gpx s TYR 5 CO 0.02 -0.11 0.16 0.08 -1.57 0.00 0.00 175.55 174.12 1gpx s VAL 6 N 0.46 4.97 0.01 0.71 1.01 0.70 0.28 120.40 128.54 1gpx s VAL 6 Ca -0.05 0.01 -0.30 0.00 0.00 0.00 0.00 61.98 61.64 1gpx s VAL 6 Cb -0.15 -3.38 -0.03 0.00 0.00 0.00 0.00 36.38 32.82 1gpx s VAL 6 CO 0.03 0.25 0.99 -0.94 0.00 0.00 0.00 175.10 175.43 1gpx s SER 7 N 1.71 7.36 0.54 3.32 1.04 0.72 0.14 113.70 128.53 1gpx s SER 7 Ca 0.07 1.69 0.29 0.00 0.48 0.00 0.00 55.95 58.48 1gpx s SER 7 Cb -0.16 -2.57 1.00 0.00 0.10 0.00 0.00 66.02 64.39 1gpx s SER 7 CO 0.09 -0.26 1.24 0.00 0.98 0.00 0.00 173.24 175.28 1gpx n HIS 8 N 3.83 0.00 1.64 5.02 1.44 -1.18 0.33 115.22 126.30 1gpx n HIS 8 Ca 0.06 0.00 0.15 0.00 -2.01 0.00 0.00 57.72 55.92 1gpx n HIS 8 Cb 0.51 -0.29 0.82 0.00 0.12 0.00 0.00 29.99 31.15 1gpx n HIS 8 CO 0.00 0.00 0.00 -0.40 -2.81 0.00 0.00 176.34 173.13 1gpx n ASP 9 N -3.22 0.00 0.00 4.39 5.68 -1.26 -4.88 116.55 117.26 1gpx n ASP 9 Ca 0.26 -0.52 0.00 0.00 -0.50 0.00 0.00 54.79 54.03 1gpx n ASP 9 Cb 1.50 -0.15 0.00 0.00 -1.14 0.00 0.00 41.12 41.33 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 1.08 2.19 3.56 6.12 0.00 0.99 -5.06 105.19 114.06 1gpx n GLY 10 Ca 0.18 -0.35 -0.43 0.00 0.00 0.00 0.00 46.02 45.42 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 2.09 -4.03 2.61 -1.04 -1.22 -4.47 114.28 108.22 1gpx n THR 11 Ca 0.00 -0.50 -0.28 0.00 -2.04 0.00 0.00 64.05 61.23 1gpx n THR 11 Cb 0.00 -0.92 -0.17 0.00 -1.82 0.00 0.00 70.33 67.42 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 -1.67 1.92 0.12 -2.82 0.52 -1.26 0.26 118.95 116.02 1gpx s ARG 12 Ca 0.61 -0.42 0.01 0.00 -0.52 0.00 0.00 55.73 55.42 1gpx s ARG 12 Cb -0.65 -1.83 -0.04 0.00 0.52 0.00 0.00 34.95 32.95 1gpx s ARG 12 CO 0.59 -0.23 0.26 0.50 0.02 0.00 0.00 175.30 176.44 1gpx s ARG 13 N 1.51 3.44 -0.04 3.54 3.52 0.81 -4.84 118.95 126.89 1gpx s ARG 13 Ca 0.03 -0.53 0.03 0.00 -0.13 0.00 0.00 55.73 55.13 1gpx s ARG 13 Cb -0.13 -2.99 0.01 0.00 -1.56 0.00 0.00 34.95 30.27 1gpx s ARG 13 CO -0.08 0.55 -0.11 -1.21 -0.81 0.00 0.00 175.30 173.64 1gpx s GLU 14 N -2.96 1.25 0.04 5.12 2.02 -1.26 0.29 118.70 123.20 1gpx s GLU 14 Ca 0.35 -0.37 0.08 0.00 0.02 0.00 0.00 54.97 55.05 1gpx s GLU 14 Cb -0.12 -1.12 -0.03 0.00 0.10 0.00 0.00 34.13 32.97 1gpx s GLU 14 CO 0.28 0.11 -0.24 -0.51 0.02 0.00 0.00 175.26 174.92 1gpx s LEU 15 N 0.31 2.16 -0.94 1.80 1.43 0.83 -4.95 118.68 119.33 1gpx s LEU 15 Ca -0.06 -0.55 -0.12 0.00 -1.03 0.00 0.00 54.13 52.37 1gpx s LEU 15 Cb -0.11 -1.15 0.24 0.00 0.03 0.00 0.00 46.19 45.21 1gpx s LEU 15 CO 0.01 0.22 0.90 -0.62 0.23 0.00 0.00 176.35 177.09 1gpx s ASP 16 N -1.17 6.98 0.50 2.29 2.15 -1.26 0.71 116.67 126.87 1gpx s ASP 16 Ca 0.10 -3.04 0.07 0.00 0.43 0.00 0.00 52.55 50.11 1gpx s ASP 16 Cb -0.09 -2.21 0.04 0.00 -0.30 0.00 0.00 42.92 40.36 1gpx s ASP 16 CO 0.02 -0.47 0.69 -0.69 -0.17 0.00 0.00 175.17 174.55 1gpx s VAL 17 N -0.37 2.66 0.00 1.11 1.01 0.72 -4.86 120.40 120.67 1gpx s VAL 17 Ca 0.23 -0.92 0.00 0.00 0.00 0.00 0.00 61.98 61.29 1gpx s VAL 17 Cb -0.10 -2.74 0.00 0.00 0.00 0.00 0.00 36.38 33.54 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 -2.10 0.00 -2.63 5.51 0.00 -1.26 0.15 120.51 120.19 1gpx n ALA 18 Ca 0.11 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.16 1gpx n ALA 18 Cb 0.60 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.96 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 6.24 0.00 0.00 1.47 -1.25 -1.35 116.67 122.78 1gpx s ASP 19 Ca 0.00 0.27 0.00 0.00 1.18 0.00 0.00 52.55 54.00 1gpx s ASP 19 Cb 0.00 -2.18 0.00 0.00 -0.34 0.00 0.00 42.92 40.40 1gpx s ASP 19 CO 0.00 -0.10 0.00 0.61 0.68 0.00 0.00 175.17 176.36 1gpx n GLY 20 N 4.49 1.42 3.94 2.12 0.00 -0.77 -5.01 105.19 111.39 1gpx n GLY 20 Ca -0.10 0.00 -0.24 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 -2.15 2.48 0.15 1.61 1.01 -1.26 -4.76 120.40 117.49 1gpx s VAL 21 Ca 0.00 -0.40 0.10 0.00 0.00 0.00 0.00 61.98 61.68 1gpx s VAL 21 Cb 0.00 -3.02 -0.04 0.00 0.00 0.00 0.00 36.38 33.32 1gpx s VAL 21 CO 0.00 -0.02 -0.24 -0.94 0.00 0.00 0.00 175.10 173.90 1gpx s SER 22 N -4.47 3.15 0.62 3.32 1.04 -1.26 0.27 113.70 116.37 1gpx s SER 22 Ca 0.59 -0.80 0.28 0.00 0.48 0.00 0.00 55.95 56.50 1gpx s SER 22 Cb -0.11 -0.21 1.48 0.00 0.10 0.00 0.00 66.02 67.28 1gpx s SER 22 CO 0.42 0.11 1.87 -0.07 0.98 0.00 0.00 173.24 176.55 1gpx h LEU 23 N 3.58 0.00 0.14 2.42 3.38 -1.64 -1.81 115.31 121.37 1gpx h LEU 23 Ca -0.47 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.49 1gpx h LEU 23 Cb 1.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.94 1gpx h LEU 23 CO 0.44 0.00 -0.07 -0.03 0.09 0.00 0.00 178.44 178.87 1gpx h MET 24 N 0.00 -0.18 0.00 1.13 1.85 -1.47 -2.99 114.93 113.28 1gpx h MET 24 Ca 0.12 0.01 0.00 0.00 -0.61 0.00 0.00 59.70 59.22 1gpx h MET 24 Cb 1.02 0.04 0.00 0.00 0.43 0.00 0.00 31.60 33.09 1gpx h MET 24 CO -0.00 -0.12 0.00 0.94 -0.40 0.00 0.00 176.91 177.33 1gpx n GLN 25 N -3.22 0.00 0.02 0.39 7.27 -0.69 0.37 117.38 121.52 1gpx n GLN 25 Ca -0.02 0.84 -0.14 0.00 0.07 0.00 0.00 57.00 57.75 1gpx n GLN 25 Cb 0.07 -1.27 -0.09 0.00 2.41 0.00 0.00 30.24 31.37 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 -0.88 -0.81 -0.25 1.69 0.00 -1.72 -1.40 119.26 115.89 1gpx h ALA 26 Ca 0.00 -0.05 0.05 0.00 0.00 0.00 0.00 54.91 54.90 1gpx h ALA 26 Cb 0.00 0.91 -0.07 0.00 0.00 0.00 0.00 17.79 18.62 1gpx h ALA 26 CO 0.00 -1.04 -0.50 0.00 0.00 0.00 0.00 179.25 177.71 1gpx h ALA 27 N -0.20 -0.71 -0.38 0.00 0.00 -0.88 0.27 119.26 117.36 1gpx h ALA 27 Ca 0.04 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 54.97 1gpx h ALA 27 Cb 0.68 0.97 -0.05 0.00 0.00 0.00 0.00 17.79 19.40 1gpx h ALA 27 CO -0.39 -1.01 -0.22 0.28 0.00 0.00 0.00 179.25 177.91 1gpx n VAL 28 N -5.42 -0.26 -0.10 0.00 0.31 1.17 0.77 118.33 114.80 1gpx n VAL 28 Ca -0.04 1.42 -0.08 0.00 -0.01 0.00 0.00 64.34 65.63 1gpx n VAL 28 Cb 0.36 -1.80 -0.00 0.00 -0.91 0.00 0.00 33.84 31.49 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 0.31 0.00 4.52 0.02 -0.54 0.14 113.55 118.00 1gpx h SER 29 Ca 0.06 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.02 1gpx h SER 29 Cb 0.15 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 62.64 1gpx h SER 29 CO -0.35 0.23 0.00 0.59 -1.14 0.00 0.00 176.83 176.15 1gpx n ASN 30 N -4.91 0.00 0.00 3.07 3.02 0.23 -4.75 115.26 111.93 1gpx n ASN 30 Ca -0.00 0.35 0.00 0.00 -0.03 0.00 0.00 54.58 54.90 1gpx n ASN 30 Cb 0.06 -0.35 0.00 0.00 -0.61 0.00 0.00 39.78 38.88 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 -1.35 3.04 0.39 7.41 0.00 0.22 -4.87 105.19 110.03 1gpx n GLY 31 Ca 0.00 0.00 0.35 0.00 0.00 0.00 0.00 46.02 46.37 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 0.05 -2.26 -0.61 2.04 -1.43 -1.10 117.51 114.20 1gpx h ILE 32 Ca 0.00 -0.02 -0.70 0.00 1.00 0.00 0.00 64.86 65.14 1gpx h ILE 32 Cb 0.00 0.00 -0.34 0.00 -0.74 0.00 0.00 36.82 35.74 1gpx h ILE 32 CO 0.00 0.01 0.24 -1.22 0.00 0.00 0.00 178.15 177.18 1gpx n TYR 33 N -4.98 3.39 0.33 1.37 4.01 -1.25 -4.71 117.16 115.32 1gpx n TYR 33 Ca 0.38 -3.24 0.06 0.00 -0.16 0.00 0.00 57.90 54.95 1gpx n TYR 33 Cb 1.38 -0.86 0.27 0.00 -0.31 0.00 0.00 39.34 39.82 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 -0.16 0.12 -4.58 7.72 5.75 -0.42 -4.45 116.55 120.53 1gpx n ASP 34 Ca 0.40 0.54 -0.42 0.00 -0.01 0.00 0.00 54.79 55.29 1gpx n ASP 34 Cb 0.32 -0.56 -0.02 0.00 -1.03 0.00 0.00 41.12 39.83 1gpx n ASP 34 CO 0.00 0.00 0.00 -0.51 -0.11 0.00 0.00 177.20 176.58 1gpx s ILE 35 N -3.08 4.04 -0.03 2.12 2.07 -1.26 -5.01 121.20 120.06 1gpx s ILE 35 Ca 0.04 0.95 -0.24 0.00 -1.41 0.00 0.00 60.65 59.99 1gpx s ILE 35 Cb 0.07 -4.71 -0.04 0.00 0.13 0.00 0.00 42.46 37.90 1gpx s ILE 35 CO 0.21 -1.30 0.73 -0.69 -1.91 0.00 0.00 174.94 171.98 1gpx s VAL 36 N 4.89 4.94 0.00 4.00 1.01 -1.26 -4.78 120.40 129.20 1gpx s VAL 36 Ca 0.44 1.52 0.00 0.00 0.00 0.00 0.00 61.98 63.93 1gpx s VAL 36 Cb -0.07 -4.07 0.00 0.00 0.00 0.00 0.00 36.38 32.24 1gpx s VAL 36 CO 0.26 0.29 0.00 0.61 0.00 0.00 0.00 175.10 176.26 1gpx n GLY 37 N 2.86 3.65 1.89 4.51 0.00 -1.26 -4.97 105.19 111.87 1gpx n GLY 37 Ca -0.01 -0.81 -0.22 0.00 0.00 0.00 0.00 46.02 44.98 1gpx n GLY 37 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1gpx n ASP 38 N 0.00 5.01 -0.06 1.61 5.75 -1.19 -4.57 116.55 123.10 1gpx n ASP 38 Ca 0.00 -3.77 -0.07 0.00 -0.01 0.00 0.00 54.79 50.93 1gpx n ASP 38 Cb 0.00 -0.54 -0.07 0.00 -1.03 0.00 0.00 41.12 39.49 1gpx n ASP 38 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1gpx n GLY 40 N 2.68 -0.49 1.90 0.00 0.00 -1.26 0.26 105.19 108.28 1gpx n GLY 40 Ca -0.20 0.02 0.00 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.75 0.49 0.00 -0.02 0.00 -1.26 -4.93 105.19 98.72 1gpx n GLY 41 Ca -0.06 -0.85 0.00 0.00 0.00 0.00 0.00 46.02 45.11 1gpx n GLY 41 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1gpx n SER 42 N 1.90 0.65 -2.04 1.61 7.64 0.74 -5.03 113.62 119.10 1gpx n SER 42 Ca 0.00 -1.23 -0.08 0.00 1.01 0.00 0.00 58.87 58.57 1gpx n SER 42 Cb 0.50 0.00 0.04 0.00 -1.01 0.00 0.00 64.21 63.74 1gpx n SER 42 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1gpx n ALA 43 N -0.11 -0.83 -2.58 -0.43 0.00 -0.92 -4.97 120.51 110.66 1gpx n ALA 43 Ca 0.00 0.02 -0.11 0.00 0.00 0.00 0.00 53.44 53.34 1gpx n ALA 43 Cb 0.28 -1.64 0.03 0.00 0.00 0.00 0.00 19.45 18.11 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 -1.65 2.65 -4.65 0.00 7.64 -1.24 -4.75 113.62 111.60 1gpx n SER 44 Ca -0.10 -2.81 -0.27 0.00 1.01 0.00 0.00 58.87 56.69 1gpx n SER 44 Cb 0.57 -0.47 -0.08 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 0.07 2.72 -0.05 0.00 0.00 -1.26 -3.98 120.51 118.01 1gpx n ALA 46 Ca -0.10 -0.47 -0.05 0.00 0.00 0.00 0.00 53.44 52.82 1gpx n ALA 46 Cb 0.54 -0.34 -0.08 0.00 0.00 0.00 0.00 19.45 19.58 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 0.68 0.37 0.00 -2.24 -1.26 -4.09 114.28 107.70 1gpx n THR 47 Ca 0.04 -0.42 -0.00 0.00 -2.27 0.00 0.00 64.05 61.40 1gpx n THR 47 Cb 0.21 -0.75 0.00 0.00 -2.10 0.00 0.00 70.33 67.70 1gpx n THR 47 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1gpx s HIS 49 N -0.06 2.84 0.04 0.00 2.46 -1.26 0.26 115.29 119.57 1gpx s HIS 49 Ca 0.01 0.60 -0.00 0.00 0.47 0.00 0.00 55.06 56.14 1gpx s HIS 49 Cb 0.01 -4.09 -0.03 0.00 -0.13 0.00 0.00 32.58 28.34 1gpx s HIS 49 CO 0.00 -3.86 -0.04 0.14 -2.47 0.00 0.00 174.74 168.52 1gpx s VAL 50 N 0.53 0.23 -0.32 0.89 -7.23 0.25 -4.10 120.40 110.65 1gpx s VAL 50 Ca 0.68 -1.42 -0.00 0.00 -1.81 0.00 0.00 61.98 59.43 1gpx s VAL 50 Cb -0.48 -0.99 0.07 0.00 0.56 0.00 0.00 36.38 35.54 1gpx s VAL 50 CO 0.41 -0.76 0.03 -0.31 -0.31 0.00 0.00 175.10 174.16 1gpx s TYR 51 N -2.78 3.41 0.25 2.82 1.51 0.21 -1.02 117.35 121.74 1gpx s TYR 51 Ca -0.03 -2.25 -0.14 0.00 -1.01 0.00 0.00 57.07 53.65 1gpx s TYR 51 Cb -0.00 -2.44 -0.08 0.00 -0.11 0.00 0.00 41.96 39.33 1gpx s TYR 51 CO -0.05 -0.88 0.65 0.08 -1.11 0.00 0.00 175.55 174.23 1gpx s VAL 52 N 1.14 4.77 0.02 0.71 1.01 -1.26 0.29 120.40 127.09 1gpx s VAL 52 Ca -0.01 0.82 -0.30 0.00 0.00 0.00 0.00 61.98 62.49 1gpx s VAL 52 Cb -0.20 -3.66 -0.05 0.00 0.00 0.00 0.00 36.38 32.46 1gpx s VAL 52 CO -0.04 -0.03 1.27 0.54 0.00 0.00 0.00 175.10 176.85 1gpx s ASN 53 N -2.13 6.98 0.33 3.32 6.03 0.19 -4.67 114.94 124.99 1gpx s ASN 53 Ca 0.48 2.02 0.24 0.00 -1.03 0.00 0.00 52.86 54.57 1gpx s ASN 53 Cb -0.12 -2.57 1.10 0.00 -3.03 0.00 0.00 41.25 36.63 1gpx s ASN 53 CO 0.19 -0.59 1.13 -1.84 -2.03 0.00 0.00 177.10 173.97 1gpx n GLU 54 N 4.67 -0.02 0.22 3.55 0.28 -1.26 0.18 120.64 128.25 1gpx n GLU 54 Ca 0.11 0.90 0.12 0.00 -0.16 0.00 0.00 57.16 58.13 1gpx n GLU 54 Cb 0.45 -1.80 0.62 0.00 1.43 0.00 0.00 31.44 32.15 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 1.13 1.16 0.00 -1.84 0.00 -1.96 -1.99 119.26 115.75 1gpx h ALA 55 Ca 0.64 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.55 1gpx h ALA 55 Cb 2.11 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.90 1gpx h ALA 55 CO -0.32 -0.16 -0.35 1.19 0.00 0.00 0.00 179.25 179.62 1gpx n PHE 56 N -2.41 0.00 0.08 0.00 3.01 0.48 -4.62 117.46 113.99 1gpx n PHE 56 Ca -0.02 0.00 -0.11 0.00 1.01 0.00 0.00 57.45 58.34 1gpx n PHE 56 Cb 0.23 0.00 -0.13 0.00 -0.01 0.00 0.00 39.48 39.57 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 1.61 0.00 4.37 1.35 -0.95 -2.59 112.91 116.69 1gpx h THR 57 Ca 0.00 -3.27 -0.11 0.00 -0.55 0.00 0.00 66.41 62.48 1gpx h THR 57 Cb 0.00 2.88 -0.02 0.00 -1.73 0.00 0.00 68.15 69.28 1gpx h THR 57 CO 0.00 0.94 -0.53 -2.24 -0.25 0.00 0.00 175.52 173.44 1gpx h ASP 58 N 0.03 0.00 0.00 5.36 2.03 -1.64 -3.30 116.42 118.89 1gpx h ASP 58 Ca -0.07 0.00 -0.00 0.00 -0.73 0.00 0.00 57.03 56.23 1gpx h ASP 58 Cb 1.86 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 40.36 1gpx h ASP 58 CO 0.16 0.53 -0.00 0.11 -1.03 0.00 0.00 179.24 179.00 1gpx h LYS 59 N 0.00 -0.00 -6.17 4.15 1.79 -1.77 -3.46 116.57 111.10 1gpx h LYS 59 Ca -0.01 0.00 -0.50 0.00 -2.18 0.00 0.00 60.65 57.96 1gpx h LYS 59 Cb 1.13 0.00 0.25 0.00 -1.58 0.00 0.00 32.23 32.03 1gpx h LYS 59 CO 0.07 0.62 -2.10 1.33 -1.08 0.00 0.00 179.45 178.30 1gpx n VAL 60 N -4.68 0.00 -0.76 0.50 0.24 -0.98 -4.87 118.33 107.78 1gpx n VAL 60 Ca -0.06 -0.19 -0.30 0.00 -2.04 0.00 0.00 64.34 61.75 1gpx n VAL 60 Cb 0.30 -0.15 0.17 0.00 -1.47 0.00 0.00 33.84 32.70 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 -2.37 0.79 -0.11 7.34 0.04 -1.26 -4.95 135.00 134.47 1gpx s PRO 61 Ca 0.42 1.32 -0.29 0.00 0.04 0.00 0.00 61.00 62.49 1gpx s PRO 61 Cb -0.02 -1.72 -0.01 0.00 0.04 0.00 0.00 34.50 32.79 1gpx s PRO 61 CO 0.70 -2.71 0.97 0.00 0.04 0.00 0.00 177.00 176.00 1gpx s ALA 62 N -2.66 3.42 0.46 8.56 0.00 -1.26 -4.99 121.76 125.28 1gpx s ALA 62 Ca 0.66 0.31 -0.23 0.00 0.00 0.00 0.00 51.96 52.71 1gpx s ALA 62 Cb -0.22 -3.39 -0.07 0.00 0.00 0.00 0.00 23.12 19.44 1gpx s ALA 62 CO 0.59 -0.59 1.17 0.00 0.00 0.00 0.00 175.76 176.92 1gpx s ALA 63 N 1.99 2.98 0.14 0.00 0.00 -1.26 -5.04 121.76 120.57 1gpx s ALA 63 Ca 0.46 0.93 0.02 0.00 0.00 0.00 0.00 51.96 53.38 1gpx s ALA 63 Cb -0.18 -3.38 0.02 0.00 0.00 0.00 0.00 23.12 19.58 1gpx s ALA 63 CO 0.17 -0.65 0.19 0.27 0.00 0.00 0.00 175.76 175.74 1gpx n ASN 64 N -0.46 0.57 0.31 0.00 2.04 -1.26 -4.93 115.26 111.53 1gpx n ASN 64 Ca 0.07 -1.38 0.17 0.00 -0.44 0.00 0.00 54.58 52.99 1gpx n ASN 64 Cb 0.48 -0.10 0.85 0.00 -2.53 0.00 0.00 39.78 38.48 1gpx n ASN 64 CO 0.00 0.00 0.00 1.05 -0.44 0.00 0.00 177.26 177.87 1gpx h GLU 65 N 0.00 0.00 0.45 -3.83 4.11 -2.00 -1.87 114.58 111.44 1gpx h GLU 65 Ca -0.07 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.34 1gpx h GLU 65 Cb 0.31 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.56 1gpx h GLU 65 CO 0.10 0.00 -0.22 -0.09 0.07 0.00 0.00 179.01 178.87 1gpx h ARG 66 N 0.00 -0.59 -0.07 1.06 2.43 -1.95 -3.19 114.38 112.07 1gpx h ARG 66 Ca 0.02 0.04 0.01 0.00 -0.81 0.00 0.00 59.98 59.25 1gpx h ARG 66 Cb 0.65 0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 30.32 1gpx h ARG 66 CO -0.00 -0.30 -0.02 1.49 -1.51 0.00 0.00 179.97 179.63 1gpx h GLU 67 N -0.81 0.00 -0.81 0.20 4.81 -1.63 -2.16 114.58 114.18 1gpx h GLU 67 Ca -0.06 -0.00 0.23 0.00 -0.13 0.00 0.00 59.36 59.40 1gpx h GLU 67 Cb 0.56 -0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.90 1gpx h GLU 67 CO 0.10 0.00 0.78 0.82 -0.73 0.00 0.00 179.01 179.98 1gpx h ILE 68 N 0.00 0.27 0.00 2.32 5.03 -1.56 0.74 117.51 124.31 1gpx h ILE 68 Ca 0.03 0.00 0.00 0.00 -0.12 0.00 0.00 64.86 64.77 1gpx h ILE 68 Cb 0.05 0.40 0.00 0.00 -3.03 0.00 0.00 36.82 34.24 1gpx h ILE 68 CO -0.07 0.00 -0.07 0.61 -0.68 0.00 0.00 178.15 177.94 1gpx n GLY 69 N -1.63 -0.58 0.33 5.37 0.00 -0.85 -2.70 105.19 105.13 1gpx n GLY 69 Ca 0.17 -0.02 0.15 0.00 0.00 0.00 0.00 46.02 46.31 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 -0.13 0.48 0.00 1.61 -0.00 -1.28 2.06 114.93 117.67 1gpx h MET 70 Ca 0.00 -0.03 -0.05 0.00 -0.00 0.00 0.00 59.70 59.62 1gpx h MET 70 Cb 0.07 -0.11 -0.01 0.00 -0.00 0.00 0.00 31.60 31.55 1gpx h MET 70 CO 0.00 0.32 -0.23 1.25 -0.00 0.00 0.00 176.91 178.25 1gpx h LEU 71 N 0.50 0.00 0.00 -0.10 6.46 0.37 -2.23 115.31 120.31 1gpx h LEU 71 Ca 0.59 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 58.35 1gpx h LEU 71 Cb 1.11 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.04 1gpx h LEU 71 CO -0.49 0.23 -0.72 1.21 -0.62 0.00 0.00 178.44 178.05 1gpx n GLU 72 N -3.42 0.21 -0.19 1.25 2.13 0.60 -4.20 120.64 117.02 1gpx n GLU 72 Ca -0.00 0.03 -0.01 0.00 0.66 0.00 0.00 57.16 57.84 1gpx n GLU 72 Cb 0.42 -1.60 0.06 0.00 0.27 0.00 0.00 31.44 30.59 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 -6.22 4.71 -0.89 0.00 -7.23 -1.26 -4.94 120.40 104.58 1gpx s VAL 74 Ca -0.14 -1.34 -0.19 0.00 -1.81 0.00 0.00 61.98 58.50 1gpx s VAL 74 Cb 0.18 -4.72 -0.23 0.00 0.56 0.00 0.00 36.38 32.17 1gpx s VAL 74 CO 0.73 -1.44 2.33 1.07 -0.31 0.00 0.00 175.10 177.49 1gpx n THR 75 N 5.50 -0.01 -2.55 5.32 5.66 -1.17 -4.71 114.28 122.32 1gpx n THR 75 Ca 0.15 -0.46 -0.23 0.00 -3.05 0.00 0.00 64.05 60.45 1gpx n THR 75 Cb 0.48 -0.97 0.00 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 11.42 4.66 -4.09 1.79 0.00 -1.26 -4.93 120.51 128.11 1gpx n ALA 76 Ca 0.58 -4.08 -0.46 0.00 0.00 0.00 0.00 53.44 49.48 1gpx n ALA 76 Cb 0.26 -0.64 0.02 0.00 0.00 0.00 0.00 19.45 19.09 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 -0.37 -0.22 -0.89 0.00 0.28 -1.26 -4.53 120.64 113.64 1gpx n GLU 77 Ca 0.32 0.04 -0.35 0.00 -0.16 0.00 0.00 57.16 57.01 1gpx n GLU 77 Cb 0.68 -2.33 -0.05 0.00 1.43 0.00 0.00 31.44 31.18 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 -4.97 0.50 -4.94 -1.84 7.94 -1.26 -4.90 117.00 107.54 1gpx n LEU 78 Ca -0.11 0.62 -0.26 0.00 -1.11 0.00 0.00 56.01 55.16 1gpx n LEU 78 Cb 0.54 -0.47 0.08 0.00 0.53 0.00 0.00 43.42 44.10 1gpx n LEU 78 CO 0.73 -0.56 0.61 -0.54 -1.11 0.00 0.00 177.39 176.52 1gpx s LYS 79 N 1.25 2.06 0.47 1.96 -0.14 -1.26 -4.93 119.74 119.15 1gpx s LYS 79 Ca 0.54 -0.37 0.23 0.00 -1.36 0.00 0.00 55.97 55.01 1gpx s LYS 79 Cb -0.77 -2.18 1.17 0.00 -1.68 0.00 0.00 37.83 34.37 1gpx s LYS 79 CO 0.40 -1.31 1.97 -1.00 -0.76 0.00 0.00 175.35 174.65 1gpx h PRO 80 N -0.63 0.00 -0.01 -1.68 0.13 -2.00 -2.86 132.00 124.95 1gpx h PRO 80 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 1gpx h PRO 80 Cb 1.31 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.44 1gpx h PRO 80 CO 0.57 0.20 -0.21 0.27 -0.23 0.00 0.00 178.00 178.59 1gpx n ASN 81 N -3.71 1.39 -4.52 1.44 6.94 -1.26 -5.02 115.26 110.51 1gpx n ASN 81 Ca -0.01 -1.20 -0.42 0.00 -0.02 0.00 0.00 54.58 52.93 1gpx n ASN 81 Cb 0.31 0.41 0.00 0.00 -2.36 0.00 0.00 39.78 38.15 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 0.15 -3.79 0.53 7.64 -1.08 -4.28 113.62 112.67 1gpx n SER 82 Ca 0.05 1.00 -0.09 0.00 1.01 0.00 0.00 58.87 60.84 1gpx n SER 82 Cb 0.25 -1.21 -0.04 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 -1.70 1.40 0.15 1.43 1.81 -0.19 -4.88 118.95 116.96 1gpx s ARG 83 Ca 0.63 -0.93 -0.18 0.00 -1.72 0.00 0.00 55.73 53.52 1gpx s ARG 83 Cb -0.62 0.51 -0.07 0.00 -0.45 0.00 0.00 34.95 34.32 1gpx s ARG 83 CO 0.58 -0.59 0.61 -1.17 -0.68 0.00 0.00 175.30 174.05 1gpx s LEU 84 N -2.90 4.41 0.26 2.53 0.20 -1.26 0.86 118.68 122.78 1gpx s LEU 84 Ca 0.11 1.26 -0.04 0.00 0.69 0.00 0.00 54.13 56.15 1gpx s LEU 84 Cb -0.01 -3.24 0.52 0.00 -0.43 0.00 0.00 46.19 43.03 1gpx s LEU 84 CO -0.01 0.14 1.65 0.77 -0.29 0.00 0.00 176.35 178.61 1gpx h SER 85 N 3.85 -0.18 -0.60 3.68 4.64 0.33 0.48 113.55 125.76 1gpx h SER 85 Ca -0.49 0.19 -0.39 0.00 -0.47 0.00 0.00 61.79 60.63 1gpx h SER 85 Cb 1.20 0.29 -0.17 0.00 -0.31 0.00 0.00 62.40 63.41 1gpx h SER 85 CO 0.65 -0.15 0.51 0.00 -0.87 0.00 0.00 176.83 176.97 1gpx n GLN 87 N -0.00 0.00 -3.52 0.00 -0.06 0.17 -2.17 117.38 111.80 1gpx n GLN 87 Ca 0.37 0.00 -0.32 0.00 -2.00 0.00 0.00 57.00 55.05 1gpx n GLN 87 Cb 0.67 -0.87 -0.05 0.00 -4.06 0.00 0.00 30.24 25.93 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 -1.85 5.03 0.33 1.69 1.01 -1.21 -4.94 121.20 121.25 1gpx s ILE 88 Ca 0.00 0.31 0.08 0.00 0.00 0.00 0.00 60.65 61.04 1gpx s ILE 88 Cb 0.00 -3.62 -0.04 0.00 0.01 0.00 0.00 42.46 38.81 1gpx s ILE 88 CO 0.00 -0.01 0.15 -0.63 0.00 0.00 0.00 174.94 174.45 1gpx s ILE 89 N -1.74 3.21 -0.18 2.92 -1.09 -1.26 -3.28 121.20 119.79 1gpx s ILE 89 Ca 0.44 -1.66 -0.03 0.00 -2.23 0.00 0.00 60.65 57.17 1gpx s ILE 89 Cb -0.12 -3.01 -0.02 0.00 -1.58 0.00 0.00 42.46 37.73 1gpx s ILE 89 CO 0.22 -0.21 -0.04 -0.32 -1.23 0.00 0.00 174.94 173.36 1gpx s MET 90 N -3.85 3.54 0.25 2.79 1.75 0.76 -4.83 119.30 119.72 1gpx s MET 90 Ca 0.37 -0.57 0.07 0.00 -1.25 0.00 0.00 55.69 54.31 1gpx s MET 90 Cb -0.04 -2.93 -0.04 0.00 2.84 0.00 0.00 34.83 34.67 1gpx s MET 90 CO 0.23 0.08 0.20 0.95 -0.65 0.00 0.00 175.02 175.83 1gpx s THR 91 N 0.77 4.49 -1.84 10.11 -4.23 -1.26 -1.85 115.64 121.84 1gpx s THR 91 Ca -0.02 -1.38 0.20 0.00 -1.18 0.00 0.00 61.69 59.32 1gpx s THR 91 Cb -0.15 -3.42 0.51 0.00 1.34 0.00 0.00 72.50 70.78 1gpx s THR 91 CO 0.02 -0.34 1.60 -0.81 -0.54 0.00 0.00 174.62 174.54 1gpx n PRO 92 N -1.17 0.53 -0.04 3.99 -0.04 -1.26 -2.75 135.00 134.26 1gpx n PRO 92 Ca -0.08 0.03 -0.03 0.00 -0.04 0.00 0.00 63.50 63.38 1gpx n PRO 92 Cb 0.58 -1.50 -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 -1.08 2.07 -1.01 0.54 0.28 -1.26 -4.51 120.64 115.67 1gpx n GLU 93 Ca 0.14 -0.02 -0.22 0.00 -0.16 0.00 0.00 57.16 56.90 1gpx n GLU 93 Cb 0.09 -1.26 0.07 0.00 1.43 0.00 0.00 31.44 31.77 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 -2.30 6.63 -4.78 -1.84 4.77 -1.11 -4.95 117.00 113.42 1gpx n LEU 94 Ca -0.14 -3.51 -0.38 0.00 -0.03 0.00 0.00 56.01 51.95 1gpx n LEU 94 Cb 0.75 -0.96 -0.06 0.00 -2.33 0.00 0.00 43.42 40.82 1gpx n LEU 94 CO 0.22 1.22 0.57 1.51 -1.33 0.00 0.00 177.39 179.57 1gpx s ASP 95 N -0.57 7.34 0.00 -1.43 -4.77 -1.24 -4.05 116.67 111.95 1gpx s ASP 95 Ca 0.43 1.73 0.00 0.00 -3.30 0.00 0.00 52.55 51.40 1gpx s ASP 95 Cb 0.34 -2.53 0.00 0.00 -1.09 0.00 0.00 42.92 39.64 1gpx s ASP 95 CO 0.01 0.05 0.00 0.61 0.70 0.00 0.00 175.17 176.54 1gpx n GLY 96 N 0.95 1.84 3.73 2.12 0.00 -0.11 -4.85 105.19 108.86 1gpx n GLY 96 Ca -0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 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 4.32 -0.50 -0.61 -1.16 -0.65 -4.92 121.20 115.68 1gpx s ILE 97 Ca 0.00 1.86 -0.13 0.00 -0.51 0.00 0.00 60.65 61.87 1gpx s ILE 97 Cb 0.00 -4.19 0.11 0.00 0.61 0.00 0.00 42.46 38.99 1gpx s ILE 97 CO 0.00 0.26 0.41 -0.69 -2.81 0.00 0.00 174.94 172.11 1gpx s VAL 98 N 0.21 4.86 0.42 4.00 1.01 -1.26 -0.27 120.40 129.37 1gpx s VAL 98 Ca 0.50 -1.47 0.08 0.00 0.00 0.00 0.00 61.98 61.09 1gpx s VAL 98 Cb -0.25 -4.07 -0.01 0.00 0.00 0.00 0.00 36.38 32.04 1gpx s VAL 98 CO 0.31 -0.75 0.44 0.54 0.00 0.00 0.00 175.10 175.65 1gpx s VAL 99 N 1.53 2.76 0.25 2.92 0.11 0.69 0.56 120.40 129.22 1gpx s VAL 99 Ca 0.04 -1.23 -0.03 0.00 -2.93 0.00 0.00 61.98 57.82 1gpx s VAL 99 Cb -0.27 -2.98 -0.02 0.00 -1.53 0.00 0.00 36.38 31.57 1gpx s VAL 99 CO 0.03 0.00 0.29 -1.81 -3.33 0.00 0.00 175.10 170.28 1gpx s ASP 100 N -4.21 0.36 -0.36 3.54 1.01 0.84 0.25 116.67 118.10 1gpx s ASP 100 Ca 0.50 -1.32 -0.09 0.00 0.71 0.00 0.00 52.55 52.36 1gpx s ASP 100 Cb -0.05 0.49 0.04 0.00 1.01 0.00 0.00 42.92 44.41 1gpx s ASP 100 CO 0.30 -1.01 0.17 -0.69 0.21 0.00 0.00 175.17 174.14 1gpx s VAL 101 N -3.89 4.17 -0.77 -1.27 1.01 0.36 0.64 120.40 120.65 1gpx s VAL 101 Ca 0.34 -1.05 -0.25 0.00 0.00 0.00 0.00 61.98 61.01 1gpx s VAL 101 Cb 0.03 -3.37 -0.02 0.00 0.00 0.00 0.00 36.38 33.02 1gpx s VAL 101 CO 0.14 -0.24 1.84 -2.16 0.00 0.00 0.00 175.10 174.67 1gpx s PRO 102 N 1.47 2.69 -0.30 2.72 0.04 -1.26 -3.11 135.00 137.25 1gpx s PRO 102 Ca 0.00 0.05 -0.05 0.00 0.04 0.00 0.00 61.00 61.04 1gpx s PRO 102 Cb -0.20 -4.73 0.02 0.00 0.04 0.00 0.00 34.50 29.63 1gpx s PRO 102 CO 0.04 -2.94 0.06 0.34 0.04 0.00 0.00 177.00 174.54 1gpx s ASP 103 N 7.60 5.04 -0.29 6.66 -1.08 -1.26 -4.96 116.67 128.37 1gpx s ASP 103 Ca 0.65 -0.92 -0.05 0.00 -0.52 0.00 0.00 52.55 51.71 1gpx s ASP 103 Cb -0.09 -1.83 0.02 0.00 -1.46 0.00 0.00 42.92 39.56 1gpx s ASP 103 CO 0.09 -0.23 0.05 -0.13 0.52 0.00 0.00 175.17 175.46 1gpx s ARG 104 N 1.42 2.89 0.00 4.34 3.00 -1.26 -4.92 118.95 124.42 1gpx s ARG 104 Ca 0.00 -0.98 0.02 0.00 0.00 0.00 0.00 55.73 54.77 1gpx s ARG 104 Cb -0.18 -3.28 0.03 0.00 0.00 0.00 0.00 34.95 31.52 1gpx s ARG 104 CO 0.01 -0.49 0.81 0.00 0.00 0.00 0.00 175.30 175.63 1gpx n GLN 105 N 4.79 1.23 0.00 3.54 10.64 -1.26 -5.06 117.38 131.26 1gpx n GLN 105 Ca -0.14 -1.12 0.09 0.00 -1.83 0.00 0.00 57.00 53.99 1gpx n GLN 105 Cb 0.47 -1.04 0.07 0.00 -0.86 0.00 0.00 30.24 28.89 1gpx n GLN 105 CO 0.00 0.00 0.00 1.87 -1.83 0.00 0.00 177.06 177.10