#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 3.68 -0.01 4.33 2.36 -1.26 -2.15 119.74 126.69 1gpx s LYS 2 Ca 0.00 0.51 0.03 0.00 -2.55 0.00 0.00 55.97 53.96 1gpx s LYS 2 Cb 0.00 -3.93 -0.03 0.00 -1.05 0.00 0.00 37.83 32.82 1gpx s LYS 2 CO 0.00 -1.44 -0.08 0.08 1.55 0.00 0.00 175.35 175.46 1gpx s VAL 3 N 4.56 3.56 -0.08 4.02 1.01 0.08 0.83 120.40 134.38 1gpx s VAL 3 Ca 0.47 -0.73 0.01 0.00 0.00 0.00 0.00 61.98 61.73 1gpx s VAL 3 Cb -0.07 -2.52 0.02 0.00 0.00 0.00 0.00 36.38 33.81 1gpx s VAL 3 CO 0.31 0.45 -0.08 -0.69 0.00 0.00 0.00 175.10 175.09 1gpx s VAL 4 N -0.93 0.89 -0.13 2.92 1.01 0.17 0.13 120.40 124.46 1gpx s VAL 4 Ca 0.16 -0.27 -0.07 0.00 0.00 0.00 0.00 61.98 61.80 1gpx s VAL 4 Cb -0.11 -0.89 -0.04 0.00 0.00 0.00 0.00 36.38 35.34 1gpx s VAL 4 CO 0.06 0.32 0.12 -0.31 0.00 0.00 0.00 175.10 175.29 1gpx s TYR 5 N 1.25 3.51 0.23 5.22 2.02 0.72 0.21 117.35 130.50 1gpx s TYR 5 Ca -0.04 0.44 0.11 0.00 -0.37 0.00 0.00 57.07 57.21 1gpx s TYR 5 Cb -0.14 -1.95 -0.05 0.00 -0.40 0.00 0.00 41.96 39.42 1gpx s TYR 5 CO -0.02 0.63 -0.20 0.08 -1.57 0.00 0.00 175.55 174.46 1gpx s VAL 6 N -0.78 2.24 -0.04 0.71 1.01 -1.02 0.26 120.40 122.78 1gpx s VAL 6 Ca 0.13 -2.22 0.07 0.00 0.00 0.00 0.00 61.98 59.96 1gpx s VAL 6 Cb -0.12 -2.15 -0.02 0.00 0.00 0.00 0.00 36.38 34.09 1gpx s VAL 6 CO 0.03 -0.36 -0.26 -0.94 0.00 0.00 0.00 175.10 173.58 1gpx s SER 7 N -3.17 3.05 0.62 3.32 1.04 0.46 -0.77 113.70 118.26 1gpx s SER 7 Ca 0.25 -0.49 0.22 0.00 0.48 0.00 0.00 55.95 56.41 1gpx s SER 7 Cb -0.05 -0.57 0.91 0.00 0.10 0.00 0.00 66.02 66.41 1gpx s SER 7 CO 0.11 0.29 1.42 1.12 0.98 0.00 0.00 173.24 177.16 1gpx h HIS 8 N 5.75 0.00 -0.01 5.02 2.07 -1.84 2.58 115.15 128.72 1gpx h HIS 8 Ca -0.38 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.14 1gpx h HIS 8 Cb 1.15 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.13 1gpx h HIS 8 CO 0.41 0.00 -0.10 -0.40 -3.07 0.00 0.00 177.93 174.76 1gpx n ASP 9 N -3.14 0.68 0.00 3.10 5.75 -1.26 -4.93 116.55 116.75 1gpx n ASP 9 Ca 0.13 -0.82 0.00 0.00 -0.01 0.00 0.00 54.79 54.08 1gpx n ASP 9 Cb 1.13 -0.02 0.00 0.00 -1.03 0.00 0.00 41.12 41.20 1gpx n ASP 9 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1gpx n GLY 10 N 1.24 3.11 3.59 6.12 0.00 0.86 -5.06 105.19 115.06 1gpx n GLY 10 Ca 0.16 -0.99 -0.48 0.00 0.00 0.00 0.00 46.02 44.71 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 0.90 -4.29 2.61 -1.04 -1.25 -4.24 114.28 106.96 1gpx n THR 11 Ca 0.00 -0.22 -0.16 0.00 -2.04 0.00 0.00 64.05 61.63 1gpx n THR 11 Cb 0.00 -0.96 -0.10 0.00 -1.82 0.00 0.00 70.33 67.45 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 -0.38 1.17 -0.04 -2.82 0.52 -1.25 0.17 118.95 116.32 1gpx s ARG 12 Ca 0.72 -1.52 -0.01 0.00 -0.52 0.00 0.00 55.73 54.40 1gpx s ARG 12 Cb -0.82 -0.77 0.03 0.00 0.52 0.00 0.00 34.95 33.92 1gpx s ARG 12 CO 0.52 0.09 0.03 -0.98 0.02 0.00 0.00 175.30 174.97 1gpx s ARG 13 N -3.73 0.18 -0.17 3.54 1.70 0.74 -4.88 118.95 116.32 1gpx s ARG 13 Ca 0.20 0.23 -0.15 0.00 -0.47 0.00 0.00 55.73 55.54 1gpx s ARG 13 Cb 0.02 -0.59 -0.04 0.00 -0.57 0.00 0.00 34.95 33.76 1gpx s ARG 13 CO 0.03 -0.27 0.34 -1.21 -1.08 0.00 0.00 175.30 173.11 1gpx s GLU 14 N 1.77 4.23 0.07 3.89 8.01 -1.26 0.26 118.70 135.67 1gpx s GLU 14 Ca 0.00 0.14 0.09 0.00 0.01 0.00 0.00 54.97 55.22 1gpx s GLU 14 Cb -0.12 -3.47 -0.03 0.00 -4.31 0.00 0.00 34.13 26.20 1gpx s GLU 14 CO -0.03 0.13 -0.25 -0.51 0.01 0.00 0.00 175.26 174.61 1gpx s LEU 15 N 0.78 2.21 -0.82 1.80 1.43 0.36 -4.95 118.68 119.50 1gpx s LEU 15 Ca 0.18 -0.62 -0.13 0.00 -1.03 0.00 0.00 54.13 52.52 1gpx s LEU 15 Cb -0.14 -1.19 0.22 0.00 0.03 0.00 0.00 46.19 45.11 1gpx s LEU 15 CO 0.06 0.21 0.75 1.51 0.23 0.00 0.00 176.35 179.10 1gpx s ASP 16 N -1.48 6.66 0.47 2.29 1.47 -1.26 -0.75 116.67 124.08 1gpx s ASP 16 Ca 0.11 -2.71 0.07 0.00 1.18 0.00 0.00 52.55 51.20 1gpx s ASP 16 Cb -0.10 -2.19 0.03 0.00 -0.34 0.00 0.00 42.92 40.32 1gpx s ASP 16 CO 0.03 -0.56 0.64 -0.69 0.68 0.00 0.00 175.17 175.28 1gpx s VAL 17 N 0.14 2.80 0.00 2.11 1.01 -0.91 -4.85 120.40 120.70 1gpx s VAL 17 Ca 0.18 -0.94 0.00 0.00 0.00 0.00 0.00 61.98 61.22 1gpx s VAL 17 Cb -0.11 -2.86 0.00 0.00 0.00 0.00 0.00 36.38 33.41 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 -2.00 0.00 -3.20 5.51 0.00 -1.26 0.28 120.51 119.83 1gpx n ALA 18 Ca 0.09 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.19 1gpx n ALA 18 Cb 0.60 0.00 -0.13 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 0.88 4.59 0.00 0.00 1.47 -1.22 -3.82 116.67 118.57 1gpx s ASP 19 Ca 0.00 -0.26 0.00 0.00 1.18 0.00 0.00 52.55 53.47 1gpx s ASP 19 Cb 0.00 -1.77 0.00 0.00 -0.34 0.00 0.00 42.92 40.81 1gpx s ASP 19 CO 0.00 0.06 0.00 0.61 0.68 0.00 0.00 175.17 176.52 1gpx n GLY 20 N 4.26 0.78 3.99 2.12 0.00 -1.08 -5.01 105.19 110.24 1gpx n GLY 20 Ca -0.18 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.65 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 2.79 0.42 1.61 1.01 -1.26 -4.83 120.40 118.14 1gpx s VAL 21 Ca 0.00 -0.80 0.06 0.00 0.00 0.00 0.00 61.98 61.23 1gpx s VAL 21 Cb 0.00 -2.99 -0.06 0.00 0.00 0.00 0.00 36.38 33.33 1gpx s VAL 21 CO 0.00 0.00 0.02 -0.44 0.00 0.00 0.00 175.10 174.68 1gpx s SER 22 N -4.40 3.76 0.40 3.32 0.01 -1.26 0.25 113.70 115.78 1gpx s SER 22 Ca 0.56 -1.43 0.17 0.00 1.31 0.00 0.00 55.95 56.56 1gpx s SER 22 Cb -0.10 -0.18 0.86 0.00 0.21 0.00 0.00 66.02 66.80 1gpx s SER 22 CO 0.36 -0.55 1.86 -0.07 0.41 0.00 0.00 173.24 175.25 1gpx h LEU 23 N 1.73 0.00 -0.79 2.44 4.07 -1.60 -1.98 115.31 119.17 1gpx h LEU 23 Ca -0.44 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.52 1gpx h LEU 23 Cb 1.26 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.00 1gpx h LEU 23 CO 0.78 0.32 0.00 0.80 -1.08 0.00 0.00 178.44 179.26 1gpx n MET 24 N -3.89 1.52 -0.04 1.13 1.56 -0.54 -3.43 117.12 113.43 1gpx n MET 24 Ca -0.02 -0.78 -0.04 0.00 -0.27 0.00 0.00 57.70 56.59 1gpx n MET 24 Cb 0.39 -1.35 -0.01 0.00 2.15 0.00 0.00 33.22 34.40 1gpx n MET 24 CO 0.00 0.00 0.00 0.94 -0.73 0.00 0.00 175.97 176.18 1gpx n GLN 25 N 0.02 0.26 -0.18 2.12 7.27 -0.75 -3.14 117.38 122.97 1gpx n GLN 25 Ca 0.15 0.10 -0.00 0.00 0.07 0.00 0.00 57.00 57.32 1gpx n GLN 25 Cb 0.25 -0.95 0.09 0.00 2.41 0.00 0.00 30.24 32.04 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 -1.38 0.59 0.33 1.69 0.00 -1.73 -0.86 119.26 117.90 1gpx h ALA 26 Ca 0.00 0.15 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 1gpx h ALA 26 Cb 0.50 0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.53 1gpx h ALA 26 CO 0.00 -0.36 -0.16 0.00 0.00 0.00 0.00 179.25 178.73 1gpx h ALA 27 N 1.48 -0.44 -0.84 0.00 0.00 -1.79 -0.34 119.26 117.33 1gpx h ALA 27 Ca 0.29 -0.10 0.09 0.00 0.00 0.00 0.00 54.91 55.19 1gpx h ALA 27 Cb 0.45 0.17 -0.11 0.00 0.00 0.00 0.00 17.79 18.30 1gpx h ALA 27 CO -0.44 -0.74 -0.45 0.28 0.00 0.00 0.00 179.25 177.91 1gpx n VAL 28 N -5.27 -0.54 -0.07 0.00 0.31 -0.42 0.21 118.33 112.55 1gpx n VAL 28 Ca -0.10 2.02 -0.08 0.00 -0.01 0.00 0.00 64.34 66.16 1gpx n VAL 28 Cb 0.20 -2.54 -0.01 0.00 -0.91 0.00 0.00 33.84 30.57 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 0.20 0.11 4.52 0.02 -1.04 0.33 113.55 117.68 1gpx h SER 29 Ca 0.18 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.14 1gpx h SER 29 Cb 0.39 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 62.91 1gpx h SER 29 CO -0.80 0.15 0.00 0.59 -1.14 0.00 0.00 176.83 175.63 1gpx n ASN 30 N -4.97 0.00 0.00 3.07 3.02 0.50 -4.76 115.26 112.11 1gpx n ASN 30 Ca -0.01 0.14 0.00 0.00 -0.03 0.00 0.00 54.58 54.67 1gpx n ASN 30 Cb 0.07 -0.25 0.00 0.00 -0.61 0.00 0.00 39.78 38.99 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 -0.68 0.64 0.48 7.41 0.00 0.56 -4.83 105.19 108.77 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 0.51 -1.99 -0.61 2.04 -1.21 -1.42 117.51 114.83 1gpx h ILE 32 Ca 0.00 -0.00 -0.73 0.00 1.00 0.00 0.00 64.86 65.13 1gpx h ILE 32 Cb 0.06 0.51 -0.31 0.00 -0.74 0.00 0.00 36.82 36.33 1gpx h ILE 32 CO 0.00 0.00 0.53 -1.22 0.00 0.00 0.00 178.15 177.46 1gpx n TYR 33 N -4.25 3.13 -0.64 1.37 4.01 -1.26 -4.80 117.16 114.71 1gpx n TYR 33 Ca 0.21 -2.71 -0.06 0.00 -0.16 0.00 0.00 57.90 55.18 1gpx n TYR 33 Cb 1.04 -0.90 -0.08 0.00 -0.31 0.00 0.00 39.34 39.09 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 -0.38 4.29 -4.67 7.72 5.75 -0.54 -4.78 116.55 123.94 1gpx n ASP 34 Ca 0.47 -2.23 -0.30 0.00 -0.01 0.00 0.00 54.79 52.72 1gpx n ASP 34 Cb 0.34 -1.06 -0.10 0.00 -1.03 0.00 0.00 41.12 39.28 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 0.96 1.65 -1.09 2.12 2.07 -1.26 -5.05 121.20 120.61 1gpx s ILE 35 Ca 0.32 -2.00 -0.22 0.00 -1.41 0.00 0.00 60.65 57.34 1gpx s ILE 35 Cb 0.15 -2.67 0.05 0.00 0.13 0.00 0.00 42.46 40.12 1gpx s ILE 35 CO 0.00 0.00 1.53 0.54 -1.91 0.00 0.00 174.94 175.10 1gpx s VAL 36 N -2.79 3.96 -0.12 4.00 0.11 -1.26 -4.94 120.40 119.36 1gpx s VAL 36 Ca 0.24 -1.03 0.03 0.00 -2.93 0.00 0.00 61.98 58.29 1gpx s VAL 36 Cb 0.07 -5.08 0.01 0.00 -1.53 0.00 0.00 36.38 29.85 1gpx s VAL 36 CO 0.12 -1.94 -0.22 -0.83 -3.33 0.00 0.00 175.10 168.90 1gpx s GLY 37 N 4.85 1.32 -0.86 6.54 0.00 -1.26 -4.76 107.32 113.16 1gpx s GLY 37 Ca 0.48 -1.02 0.01 0.00 0.00 0.00 0.00 44.72 44.20 1gpx s GLY 37 CO -0.05 -0.12 1.50 2.09 0.00 0.00 0.00 173.10 176.51 1gpx n ASP 38 N 3.87 6.28 -0.03 1.64 5.68 -1.26 -4.71 116.55 128.02 1gpx n ASP 38 Ca -0.20 -3.69 -0.07 0.00 -0.50 0.00 0.00 54.79 50.34 1gpx n ASP 38 Cb 0.52 -0.94 -0.02 0.00 -1.14 0.00 0.00 41.12 39.54 1gpx n ASP 38 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1gpx n GLY 40 N 2.45 -0.40 1.62 0.00 0.00 -1.26 0.79 105.19 108.39 1gpx n GLY 40 Ca -0.12 0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 -1.51 0.79 0.00 -0.02 0.00 -1.26 -4.95 105.19 98.24 1gpx n GLY 41 Ca 0.01 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.30 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 1.62 3.26 -3.31 1.61 2.88 0.24 -5.06 113.62 114.85 1gpx n SER 42 Ca 0.00 0.00 -0.17 0.00 -1.33 0.00 0.00 58.87 57.37 1gpx n SER 42 Cb 0.49 0.58 0.06 0.00 -0.75 0.00 0.00 64.21 64.59 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 -1.09 -2.50 -0.58 -1.46 0.00 -1.23 -4.78 120.51 108.87 1gpx n ALA 43 Ca 0.00 0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.51 1gpx n ALA 43 Cb 0.07 -5.24 0.00 0.00 0.00 0.00 0.00 19.45 14.29 1gpx n ALA 43 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1gpx n SER 44 N -3.04 0.72 -4.29 0.00 3.41 -1.26 -3.56 113.62 105.60 1gpx n SER 44 Ca -0.07 -1.30 -0.36 0.00 -0.26 0.00 0.00 58.87 56.88 1gpx n SER 44 Cb 0.61 0.00 -0.14 0.00 -0.26 0.00 0.00 64.21 64.42 1gpx n SER 44 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1gpx n ALA 46 N 4.78 2.39 0.02 0.00 0.00 -1.26 -2.99 120.51 123.45 1gpx n ALA 46 Ca -0.16 -0.15 -0.07 0.00 0.00 0.00 0.00 53.44 53.06 1gpx n ALA 46 Cb 0.48 -1.38 -0.12 0.00 0.00 0.00 0.00 19.45 18.43 1gpx n ALA 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1gpx h THR 47 N 0.00 1.20 -0.34 0.00 1.03 -1.90 -3.26 112.91 109.64 1gpx h THR 47 Ca 0.00 -2.95 0.00 0.00 -0.01 0.00 0.00 66.41 63.45 1gpx h THR 47 Cb 0.00 2.58 0.00 0.00 -1.07 0.00 0.00 68.15 69.66 1gpx h THR 47 CO 0.00 0.68 0.00 0.00 -0.01 0.00 0.00 175.52 176.19 1gpx n HIS 49 N 0.49 -0.03 -3.85 0.00 -0.00 -1.23 0.23 115.22 110.82 1gpx n HIS 49 Ca 0.12 0.90 -0.10 0.00 0.46 0.00 0.00 57.72 59.10 1gpx n HIS 49 Cb 0.37 -2.03 -0.09 0.00 -0.12 0.00 0.00 29.99 28.12 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 -1.00 0.11 -0.10 3.57 -7.23 0.93 -3.65 120.40 113.03 1gpx s VAL 50 Ca 0.63 -0.88 0.03 0.00 -1.81 0.00 0.00 61.98 59.96 1gpx s VAL 50 Cb -0.88 -0.87 0.00 0.00 0.56 0.00 0.00 36.38 35.20 1gpx s VAL 50 CO 0.57 -0.48 -0.21 -0.31 -0.31 0.00 0.00 175.10 174.35 1gpx s TYR 51 N -2.46 2.36 0.46 2.82 1.51 1.14 -0.01 117.35 123.17 1gpx s TYR 51 Ca -0.06 -0.99 0.04 0.00 -1.01 0.00 0.00 57.07 55.05 1gpx s TYR 51 Cb -0.02 -1.60 0.01 0.00 -0.11 0.00 0.00 41.96 40.25 1gpx s TYR 51 CO -0.03 -0.42 0.65 0.08 -1.11 0.00 0.00 175.55 174.72 1gpx s VAL 52 N 0.47 3.29 -0.03 0.71 1.01 -1.25 0.63 120.40 125.22 1gpx s VAL 52 Ca -0.17 -0.77 -0.17 0.00 0.00 0.00 0.00 61.98 60.87 1gpx s VAL 52 Cb -0.17 -3.18 -0.05 0.00 0.00 0.00 0.00 36.38 32.98 1gpx s VAL 52 CO 0.07 -0.10 0.47 0.54 0.00 0.00 0.00 175.10 176.07 1gpx s ASN 53 N -4.32 6.81 0.51 3.32 4.22 -0.61 -4.80 114.94 120.06 1gpx s ASN 53 Ca 0.53 0.96 0.29 0.00 -2.14 0.00 0.00 52.86 52.50 1gpx s ASN 53 Cb -0.10 -2.29 0.98 0.00 1.28 0.00 0.00 41.25 41.13 1gpx s ASN 53 CO 0.36 0.19 1.18 -1.84 -2.04 0.00 0.00 177.10 174.94 1gpx n GLU 54 N 2.52 0.01 0.18 3.55 0.28 -1.26 0.14 120.64 126.06 1gpx n GLU 54 Ca -0.11 0.89 0.14 0.00 -0.16 0.00 0.00 57.16 57.92 1gpx n GLU 54 Cb 0.52 -2.17 0.57 0.00 1.43 0.00 0.00 31.44 31.79 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 0.56 1.00 0.00 -1.84 0.00 -1.97 -3.23 119.26 113.78 1gpx h ALA 55 Ca 0.53 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.44 1gpx h ALA 55 Cb 2.73 0.00 0.00 0.00 0.00 0.00 0.00 17.79 20.52 1gpx h ALA 55 CO -0.01 0.00 -0.04 1.19 0.00 0.00 0.00 179.25 180.40 1gpx n PHE 56 N -2.54 0.00 0.11 0.00 3.01 0.38 -4.72 117.46 113.69 1gpx n PHE 56 Ca 0.01 0.00 -0.01 0.00 1.01 0.00 0.00 57.45 58.46 1gpx n PHE 56 Cb 0.25 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.69 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 1.14 -0.03 4.37 1.35 -1.41 -2.76 112.91 115.57 1gpx h THR 57 Ca 0.00 -2.63 -0.15 0.00 -0.55 0.00 0.00 66.41 63.08 1gpx h THR 57 Cb 0.00 2.55 -0.02 0.00 -1.73 0.00 0.00 68.15 68.96 1gpx h THR 57 CO 0.00 0.65 -0.69 -2.24 -0.25 0.00 0.00 175.52 172.99 1gpx h ASP 58 N 0.00 0.15 0.00 5.36 2.03 -1.81 -3.31 116.42 118.83 1gpx h ASP 58 Ca -0.02 -0.10 -0.00 0.00 -0.73 0.00 0.00 57.03 56.18 1gpx h ASP 58 Cb 1.53 -0.04 0.00 0.00 -0.83 0.00 0.00 39.33 39.99 1gpx h ASP 58 CO 0.09 0.79 -0.00 0.11 -1.03 0.00 0.00 179.24 179.20 1gpx h LYS 59 N 0.09 -0.00 -6.02 4.15 1.79 -1.84 -3.46 116.57 111.27 1gpx h LYS 59 Ca -0.01 0.00 -0.62 0.00 -2.18 0.00 0.00 60.65 57.84 1gpx h LYS 59 Cb 1.22 0.00 0.16 0.00 -1.58 0.00 0.00 32.23 32.03 1gpx h LYS 59 CO 0.10 0.70 -0.93 1.33 -1.08 0.00 0.00 179.45 179.56 1gpx n VAL 60 N -4.66 0.67 -1.06 0.50 0.24 -1.04 -4.91 118.33 108.06 1gpx n VAL 60 Ca -0.07 -0.50 -0.29 0.00 -2.04 0.00 0.00 64.34 61.44 1gpx n VAL 60 Cb 0.34 -0.04 0.20 0.00 -1.47 0.00 0.00 33.84 32.87 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 -1.04 -0.05 0.12 7.34 0.04 -1.26 -4.98 135.00 135.16 1gpx s PRO 61 Ca 0.59 0.47 -0.29 0.00 0.04 0.00 0.00 61.00 61.82 1gpx s PRO 61 Cb -0.62 -1.69 -0.06 0.00 0.04 0.00 0.00 34.50 32.17 1gpx s PRO 61 CO 0.63 -3.04 0.93 0.00 0.04 0.00 0.00 177.00 175.55 1gpx s ALA 62 N -2.89 3.28 1.20 8.56 0.00 -1.26 -5.00 121.76 125.64 1gpx s ALA 62 Ca 0.66 0.54 -0.19 0.00 0.00 0.00 0.00 51.96 52.98 1gpx s ALA 62 Cb -0.19 -3.23 0.28 0.00 0.00 0.00 0.00 23.12 19.99 1gpx s ALA 62 CO 0.59 0.02 1.10 0.00 0.00 0.00 0.00 175.76 177.46 1gpx s ALA 63 N -0.18 0.54 0.00 0.00 0.00 -1.26 -5.07 121.76 115.78 1gpx s ALA 63 Ca 0.45 -0.88 0.00 0.00 0.00 0.00 0.00 51.96 51.52 1gpx s ALA 63 Cb -0.23 -2.91 0.00 0.00 0.00 0.00 0.00 23.12 19.98 1gpx s ALA 63 CO 0.29 -3.59 0.00 0.27 0.00 0.00 0.00 175.76 172.73 1gpx n ASN 64 N -4.77 0.01 0.06 0.00 0.23 -1.26 -4.99 115.26 104.55 1gpx n ASN 64 Ca 0.12 0.00 -0.08 0.00 -0.53 0.00 0.00 54.58 54.09 1gpx n ASN 64 Cb 0.59 0.00 -0.12 0.00 -2.08 0.00 0.00 39.78 38.17 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 0.04 -0.54 -3.83 -0.00 -1.98 -3.28 114.58 105.00 1gpx h GLU 65 Ca 0.00 -0.07 -0.07 0.00 -0.00 0.00 0.00 59.36 59.22 1gpx h GLU 65 Cb 0.00 0.03 -0.02 0.00 -0.00 0.00 0.00 28.75 28.75 1gpx h GLU 65 CO 0.00 1.02 0.05 -0.09 -0.00 0.00 0.00 179.01 179.99 1gpx h ARG 66 N 0.01 0.89 0.00 1.06 2.43 -1.90 -0.77 114.38 116.10 1gpx h ARG 66 Ca -0.04 -0.23 0.00 0.00 -0.81 0.00 0.00 59.98 58.90 1gpx h ARG 66 Cb 1.81 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 31.25 1gpx h ARG 66 CO 0.14 0.85 0.00 -1.91 -1.51 0.00 0.00 179.97 177.54 1gpx n GLU 67 N -4.22 0.12 -0.02 0.20 0.00 -1.23 -2.57 120.64 112.91 1gpx n GLU 67 Ca 0.03 0.21 -0.16 0.00 0.00 0.00 0.00 57.16 57.25 1gpx n GLU 67 Cb 0.29 -1.50 -0.14 0.00 0.00 0.00 0.00 31.44 30.09 1gpx n GLU 67 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.13 176.24 1gpx n ILE 68 N -1.34 1.68 0.01 6.31 -0.00 -0.30 -3.77 119.36 121.95 1gpx n ILE 68 Ca 0.05 -0.72 -0.01 0.00 -0.00 0.00 0.00 62.75 62.07 1gpx n ILE 68 Cb 0.10 -1.37 -0.01 0.00 -0.00 0.00 0.00 39.64 38.37 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 2.26 -0.09 -0.13 7.39 0.00 -1.44 -2.01 103.07 109.05 1gpx h GLY 69 Ca -0.39 0.03 0.13 0.00 0.00 0.00 0.00 47.33 47.11 1gpx h GLY 69 CO 0.07 -0.03 -0.03 0.00 0.00 0.00 0.00 176.54 176.54 1gpx h MET 70 N -0.49 0.08 -0.15 4.80 -0.00 -1.81 0.72 114.93 118.08 1gpx h MET 70 Ca -0.01 -0.01 0.03 0.00 -0.00 0.00 0.00 59.70 59.72 1gpx h MET 70 Cb 0.07 -0.02 -0.01 0.00 -0.00 0.00 0.00 31.60 31.64 1gpx h MET 70 CO 0.01 0.06 0.11 1.25 -0.00 0.00 0.00 176.91 178.34 1gpx h LEU 71 N 0.09 0.05 0.23 -0.10 6.46 -1.68 -1.59 115.31 118.77 1gpx h LEU 71 Ca 0.32 -0.00 -0.34 0.00 -0.12 0.00 0.00 57.88 57.75 1gpx h LEU 71 Cb 0.53 -0.01 0.03 0.00 -0.73 0.00 0.00 40.66 40.47 1gpx h LEU 71 CO -0.57 0.04 -1.53 -0.08 -0.62 0.00 0.00 178.44 175.68 1gpx h GLU 72 N 0.06 0.49 -0.93 1.25 4.81 0.10 -3.29 114.58 117.08 1gpx h GLU 72 Ca 0.07 -0.84 0.21 0.00 -0.13 0.00 0.00 59.36 58.66 1gpx h GLU 72 Cb 0.20 0.31 -0.12 0.00 0.63 0.00 0.00 28.75 29.77 1gpx h GLU 72 CO -0.01 1.40 0.49 0.00 -0.73 0.00 0.00 179.01 180.16 1gpx n VAL 74 N -4.93 4.62 -1.52 0.00 0.24 -1.05 -4.95 118.33 110.73 1gpx n VAL 74 Ca 0.23 -4.50 -0.37 0.00 -2.04 0.00 0.00 64.34 57.66 1gpx n VAL 74 Cb 0.63 -2.27 -0.10 0.00 -1.47 0.00 0.00 33.84 30.62 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 2.81 -0.04 -3.16 3.34 5.66 -0.63 -4.79 114.28 117.47 1gpx n THR 75 Ca 0.44 -0.37 -0.24 0.00 -3.05 0.00 0.00 64.05 60.83 1gpx n THR 75 Cb 0.33 -1.45 -0.05 0.00 -1.55 0.00 0.00 70.33 67.61 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 12.76 3.29 -4.09 1.79 0.00 -1.26 -4.74 120.51 128.26 1gpx n ALA 76 Ca 0.54 -4.06 -0.46 0.00 0.00 0.00 0.00 53.44 49.46 1gpx n ALA 76 Cb 0.26 -0.84 0.02 0.00 0.00 0.00 0.00 19.45 18.89 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 -0.22 -1.55 0.00 0.28 -1.26 -4.72 120.64 113.63 1gpx n GLU 77 Ca 0.27 0.05 -0.50 0.00 -0.16 0.00 0.00 57.16 56.82 1gpx n GLU 77 Cb 0.50 -2.34 -0.04 0.00 1.43 0.00 0.00 31.44 30.99 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 1.13 0.00 -1.84 7.94 -1.26 -4.99 117.00 113.01 1gpx n LEU 78 Ca -0.11 1.14 -0.21 0.00 -1.11 0.00 0.00 56.01 55.73 1gpx n LEU 78 Cb 0.55 -1.16 -0.05 0.00 0.53 0.00 0.00 43.42 43.28 1gpx n LEU 78 CO 0.73 -1.52 -0.14 2.29 -1.11 0.00 0.00 177.39 177.64 1gpx n LYS 79 N 1.63 0.90 0.24 1.96 2.85 -1.26 -4.99 118.16 119.49 1gpx n LYS 79 Ca 0.16 -2.57 0.10 0.00 -1.05 0.00 0.00 58.31 54.95 1gpx n LYS 79 Cb 0.23 1.03 0.59 0.00 -0.65 0.00 0.00 35.03 36.23 1gpx n LYS 79 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 177.40 176.35 1gpx h PRO 80 N 0.00 0.00 0.00 -1.58 0.13 -2.01 -3.02 132.00 125.52 1gpx h PRO 80 Ca -0.27 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 1gpx h PRO 80 Cb 0.89 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.02 1gpx h PRO 80 CO 0.43 0.19 -1.18 0.27 -0.23 0.00 0.00 178.00 177.49 1gpx n ASN 81 N -3.66 0.67 -4.58 1.44 6.94 -1.26 -4.97 115.26 109.84 1gpx n ASN 81 Ca -0.01 -0.56 -0.37 0.00 -0.02 0.00 0.00 54.58 53.62 1gpx n ASN 81 Cb 0.32 1.10 0.06 0.00 -2.36 0.00 0.00 39.78 38.91 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 -1.77 0.24 -3.61 0.53 7.64 -1.14 -3.83 113.62 111.69 1gpx n SER 82 Ca 0.02 0.73 -0.02 0.00 1.01 0.00 0.00 58.87 60.60 1gpx n SER 82 Cb 0.40 -1.35 -0.01 0.00 -1.01 0.00 0.00 64.21 62.24 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 -2.88 0.32 0.28 1.43 3.00 0.98 -4.90 118.95 117.19 1gpx s ARG 83 Ca 0.74 -0.15 -0.22 0.00 0.00 0.00 0.00 55.73 56.10 1gpx s ARG 83 Cb -0.39 0.13 -0.09 0.00 0.00 0.00 0.00 34.95 34.60 1gpx s ARG 83 CO 0.50 -0.14 0.82 -1.17 0.00 0.00 0.00 175.30 175.31 1gpx s LEU 84 N -2.47 4.30 0.50 2.53 0.20 -1.26 0.31 118.68 122.80 1gpx s LEU 84 Ca 0.11 1.59 0.41 0.00 0.69 0.00 0.00 54.13 56.93 1gpx s LEU 84 Cb 0.01 -3.84 1.61 0.00 -0.43 0.00 0.00 46.19 43.55 1gpx s LEU 84 CO -0.04 -0.04 1.59 0.77 -0.29 0.00 0.00 176.35 178.34 1gpx h SER 85 N 3.17 0.10 -1.18 3.68 4.64 0.26 0.84 113.55 125.07 1gpx h SER 85 Ca -0.47 0.07 -0.56 0.00 -0.47 0.00 0.00 61.79 60.35 1gpx h SER 85 Cb 1.19 0.07 -0.21 0.00 -0.31 0.00 0.00 62.40 63.14 1gpx h SER 85 CO 0.65 -0.11 0.65 0.00 -0.87 0.00 0.00 176.83 177.15 1gpx n GLN 87 N 0.12 0.00 -4.01 0.00 -0.06 0.29 -3.49 117.38 110.23 1gpx n GLN 87 Ca 0.49 0.00 -0.28 0.00 -2.00 0.00 0.00 57.00 55.21 1gpx n GLN 87 Cb 0.49 -0.65 -0.05 0.00 -4.06 0.00 0.00 30.24 25.97 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 -1.75 4.86 0.34 1.69 1.01 -1.26 -4.85 121.20 121.23 1gpx s ILE 88 Ca 0.00 -0.79 0.07 0.00 0.00 0.00 0.00 60.65 59.93 1gpx s ILE 88 Cb 0.00 -3.43 -0.03 0.00 0.01 0.00 0.00 42.46 39.01 1gpx s ILE 88 CO 0.00 -0.00 0.29 -0.63 0.00 0.00 0.00 174.94 174.60 1gpx s ILE 89 N -1.62 3.51 -0.25 2.92 -1.09 -1.26 -2.88 121.20 120.53 1gpx s ILE 89 Ca 0.32 -1.38 -0.05 0.00 -2.23 0.00 0.00 60.65 57.31 1gpx s ILE 89 Cb -0.11 -3.18 -0.00 0.00 -1.58 0.00 0.00 42.46 37.59 1gpx s ILE 89 CO 0.25 -0.17 0.01 -0.32 -1.23 0.00 0.00 174.94 173.48 1gpx s MET 90 N -3.99 3.26 0.43 2.79 1.75 0.69 -4.87 119.30 119.36 1gpx s MET 90 Ca 0.41 -0.72 0.03 0.00 -1.25 0.00 0.00 55.69 54.15 1gpx s MET 90 Cb -0.06 -3.18 0.00 0.00 2.84 0.00 0.00 34.83 34.43 1gpx s MET 90 CO 0.26 -0.30 0.63 0.95 -0.65 0.00 0.00 175.02 175.91 1gpx s THR 91 N 1.49 3.79 -1.86 10.11 -4.23 -1.25 -2.65 115.64 121.05 1gpx s THR 91 Ca 0.04 -0.68 0.21 0.00 -1.18 0.00 0.00 61.69 60.08 1gpx s THR 91 Cb -0.16 -3.37 0.54 0.00 1.34 0.00 0.00 72.50 70.85 1gpx s THR 91 CO -0.00 -0.22 1.64 -0.81 -0.54 0.00 0.00 174.62 174.68 1gpx n PRO 92 N -1.98 0.57 -0.06 3.99 -0.04 -1.26 -3.53 135.00 132.68 1gpx n PRO 92 Ca 0.02 0.02 -0.13 0.00 -0.04 0.00 0.00 63.50 63.37 1gpx n PRO 92 Cb 0.58 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.50 1gpx n PRO 92 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1gpx n GLU 93 N -1.07 0.29 -0.36 0.54 2.13 -1.26 -4.69 120.64 116.22 1gpx n GLU 93 Ca 0.14 0.12 -0.09 0.00 0.66 0.00 0.00 57.16 57.99 1gpx n GLU 93 Cb 0.09 -0.99 -0.02 0.00 0.27 0.00 0.00 31.44 30.80 1gpx n GLU 93 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 1gpx n LEU 94 N -3.68 2.31 -4.84 4.31 4.77 -1.23 -4.85 117.00 113.78 1gpx n LEU 94 Ca -0.24 -1.81 -0.35 0.00 -0.03 0.00 0.00 56.01 53.59 1gpx n LEU 94 Cb 0.62 -0.71 -0.06 0.00 -2.33 0.00 0.00 43.42 40.93 1gpx n LEU 94 CO 0.03 -0.17 -0.20 1.51 -1.33 0.00 0.00 177.39 177.23 1gpx s ASP 95 N 3.80 6.10 0.00 -1.43 1.47 -1.26 -4.42 116.67 120.93 1gpx s ASP 95 Ca 0.20 0.33 0.00 0.00 1.18 0.00 0.00 52.55 54.26 1gpx s ASP 95 Cb 0.06 -1.89 0.00 0.00 -0.34 0.00 0.00 42.92 40.76 1gpx s ASP 95 CO -0.01 0.34 0.00 0.61 0.68 0.00 0.00 175.17 176.78 1gpx n GLY 96 N 1.53 1.46 3.81 2.12 0.00 0.24 -4.65 105.19 109.72 1gpx n GLY 96 Ca -0.16 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.53 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 4.12 -0.17 -0.61 -1.16 0.13 -4.91 121.20 116.60 1gpx s ILE 97 Ca 0.00 1.32 -0.01 0.00 -0.51 0.00 0.00 60.65 61.46 1gpx s ILE 97 Cb 0.00 -3.53 -0.00 0.00 0.61 0.00 0.00 42.46 39.53 1gpx s ILE 97 CO 0.00 -0.28 -0.12 -0.69 -2.81 0.00 0.00 174.94 171.03 1gpx s VAL 98 N -2.09 2.87 0.53 4.00 1.01 -1.26 -0.66 120.40 124.80 1gpx s VAL 98 Ca 0.64 -0.69 0.08 0.00 0.00 0.00 0.00 61.98 62.01 1gpx s VAL 98 Cb -0.12 -2.24 0.05 0.00 0.00 0.00 0.00 36.38 34.07 1gpx s VAL 98 CO 0.16 0.49 0.60 -0.69 0.00 0.00 0.00 175.10 175.66 1gpx s VAL 99 N 0.98 2.13 -0.20 2.92 1.01 0.57 -1.58 120.40 126.24 1gpx s VAL 99 Ca -0.02 -1.20 -0.27 0.00 0.00 0.00 0.00 61.98 60.49 1gpx s VAL 99 Cb -0.15 -2.33 0.09 0.00 0.00 0.00 0.00 36.38 33.99 1gpx s VAL 99 CO -0.02 0.00 0.80 -1.81 0.00 0.00 0.00 175.10 174.07 1gpx s ASP 100 N -4.45 -0.62 -0.11 3.32 1.01 0.20 -2.44 116.67 113.58 1gpx s ASP 100 Ca 0.51 1.02 -0.15 0.00 0.71 0.00 0.00 52.55 54.64 1gpx s ASP 100 Cb -0.05 0.97 -0.05 0.00 1.01 0.00 0.00 42.92 44.81 1gpx s ASP 100 CO 0.31 -0.34 0.37 -0.69 0.21 0.00 0.00 175.17 175.04 1gpx s VAL 101 N -0.25 5.21 0.13 -1.27 1.01 0.06 0.36 120.40 125.65 1gpx s VAL 101 Ca -0.03 0.73 -0.30 0.00 0.00 0.00 0.00 61.98 62.39 1gpx s VAL 101 Cb -0.03 -3.70 -0.06 0.00 0.00 0.00 0.00 36.38 32.59 1gpx s VAL 101 CO 0.02 0.43 0.98 -2.16 0.00 0.00 0.00 175.10 174.37 1gpx s PRO 102 N 0.06 4.70 -0.39 2.72 0.04 -1.24 -3.03 135.00 137.86 1gpx s PRO 102 Ca 0.21 1.49 -0.05 0.00 0.04 0.00 0.00 61.00 62.69 1gpx s PRO 102 Cb -0.15 -3.36 0.09 0.00 0.04 0.00 0.00 34.50 31.13 1gpx s PRO 102 CO 0.08 0.22 0.19 0.34 0.04 0.00 0.00 177.00 177.87 1gpx s ASP 103 N -0.11 5.34 -0.26 6.66 2.15 -1.26 -4.90 116.67 124.30 1gpx s ASP 103 Ca 0.47 -1.68 0.12 0.00 0.43 0.00 0.00 52.55 51.89 1gpx s ASP 103 Cb -0.24 -1.87 0.55 0.00 -0.30 0.00 0.00 42.92 41.05 1gpx s ASP 103 CO 0.31 -0.49 1.50 0.54 -0.17 0.00 0.00 175.17 176.86 1gpx n ARG 104 N 4.73 2.46 0.00 4.34 3.00 -1.26 -4.99 116.66 124.94 1gpx n ARG 104 Ca -0.07 -3.02 0.00 0.00 -0.01 0.00 0.00 57.85 54.74 1gpx n ARG 104 Cb 0.42 -1.88 0.00 0.00 0.00 0.00 0.00 32.46 31.00 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 -0.80 4.00 0.00 5.56 7.27 -1.26 -4.95 117.38 127.20 1gpx n GLN 105 Ca 0.31 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.38 1gpx n GLN 105 Cb 1.05 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.70 1gpx n GLN 105 CO 0.00 0.00 0.00 1.87 0.07 0.00 0.00 177.06 179.00