#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 4.45 0.02 1.43 2.20 -1.25 0.19 119.74 126.78 1gpx s LYS 2 Ca 0.00 1.57 0.00 0.00 -0.36 0.00 0.00 55.97 57.18 1gpx s LYS 2 Cb 0.00 -3.47 -0.02 0.00 -1.51 0.00 0.00 37.83 32.83 1gpx s LYS 2 CO 0.00 -0.26 -0.03 0.08 -0.36 0.00 0.00 175.35 174.78 1gpx s VAL 3 N 1.53 0.14 -0.07 4.02 1.01 0.01 0.15 120.40 127.20 1gpx s VAL 3 Ca 0.54 -0.76 0.01 0.00 0.00 0.00 0.00 61.98 61.77 1gpx s VAL 3 Cb -0.24 -0.26 0.02 0.00 0.00 0.00 0.00 36.38 35.91 1gpx s VAL 3 CO 0.25 -0.39 -0.07 -0.69 0.00 0.00 0.00 175.10 174.20 1gpx s VAL 4 N -1.17 0.84 -0.11 2.92 1.01 -0.86 0.15 120.40 123.17 1gpx s VAL 4 Ca -0.12 -0.26 -0.07 0.00 0.00 0.00 0.00 61.98 61.53 1gpx s VAL 4 Cb -0.08 -0.84 -0.04 0.00 0.00 0.00 0.00 36.38 35.42 1gpx s VAL 4 CO -0.01 0.31 0.14 -0.31 0.00 0.00 0.00 175.10 175.23 1gpx s TYR 5 N 1.13 3.59 -0.06 5.22 2.02 0.80 0.32 117.35 130.37 1gpx s TYR 5 Ca -0.07 0.51 0.06 0.00 -0.37 0.00 0.00 57.07 57.20 1gpx s TYR 5 Cb -0.14 -1.93 -0.01 0.00 -0.40 0.00 0.00 41.96 39.48 1gpx s TYR 5 CO -0.01 0.73 -0.24 0.08 -1.57 0.00 0.00 175.55 174.53 1gpx s VAL 6 N -1.04 2.00 0.00 0.71 1.01 -1.11 0.27 120.40 122.24 1gpx s VAL 6 Ca 0.16 -1.03 0.00 0.00 0.00 0.00 0.00 61.98 61.10 1gpx s VAL 6 Cb -0.12 -1.70 0.00 0.00 0.00 0.00 0.00 36.38 34.56 1gpx s VAL 6 CO 0.05 0.56 0.00 -1.54 0.00 0.00 0.00 175.10 174.16 1gpx n SER 7 N 3.00 0.00 -0.00 3.32 3.41 0.49 0.24 113.62 124.08 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 -0.06 0.00 -0.26 0.00 0.00 64.21 64.41 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 0.53 7.33 1.44 -1.24 -3.43 115.22 119.84 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 -0.01 0.17 0.00 0.12 0.00 0.00 29.99 30.27 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 -1.27 3.29 0.00 4.39 5.68 -1.26 -4.94 116.55 122.45 1gpx n ASP 9 Ca 0.02 -1.99 0.00 0.00 -0.50 0.00 0.00 54.79 52.32 1gpx n ASP 9 Cb 0.16 -0.16 0.00 0.00 -1.14 0.00 0.00 41.12 39.98 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 1.43 1.69 3.60 6.12 0.00 -1.26 -5.06 105.19 111.71 1gpx n GLY 10 Ca 0.17 0.00 -0.48 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 -0.04 0.98 -4.30 2.61 -1.04 -1.26 -4.57 114.28 106.66 1gpx n THR 11 Ca 0.00 -0.24 -0.16 0.00 -2.04 0.00 0.00 64.05 61.60 1gpx n THR 11 Cb 0.00 -0.98 -0.10 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 -0.46 1.21 0.04 -2.82 0.52 -1.26 0.19 118.95 116.37 1gpx s ARG 12 Ca 0.71 -1.56 -0.01 0.00 -0.52 0.00 0.00 55.73 54.36 1gpx s ARG 12 Cb -0.80 -0.75 -0.03 0.00 0.52 0.00 0.00 34.95 33.88 1gpx s ARG 12 CO 0.52 0.05 -0.03 0.50 0.02 0.00 0.00 175.30 176.36 1gpx s ARG 13 N -3.76 0.52 -0.09 3.54 3.52 0.78 -4.90 118.95 118.56 1gpx s ARG 13 Ca 0.22 -1.02 0.00 0.00 -0.13 0.00 0.00 55.73 54.80 1gpx s ARG 13 Cb 0.03 0.18 0.02 0.00 -1.56 0.00 0.00 34.95 33.62 1gpx s ARG 13 CO 0.05 -0.09 -0.08 -1.21 -0.81 0.00 0.00 175.30 173.16 1gpx s GLU 14 N -3.14 1.38 0.15 5.12 2.02 -1.26 0.28 118.70 123.25 1gpx s GLU 14 Ca -0.00 -0.24 0.10 0.00 0.02 0.00 0.00 54.97 54.85 1gpx s GLU 14 Cb 0.02 -1.36 -0.04 0.00 0.10 0.00 0.00 34.13 32.85 1gpx s GLU 14 CO -0.07 -0.16 -0.21 -0.51 0.02 0.00 0.00 175.26 174.33 1gpx s LEU 15 N 1.32 2.57 -0.76 1.80 1.43 0.39 -4.95 118.68 120.48 1gpx s LEU 15 Ca -0.03 -0.69 -0.11 0.00 -1.03 0.00 0.00 54.13 52.28 1gpx s LEU 15 Cb -0.14 -1.38 0.20 0.00 0.03 0.00 0.00 46.19 44.90 1gpx s LEU 15 CO -0.03 0.16 0.66 -1.81 0.23 0.00 0.00 176.35 175.55 1gpx s ASP 16 N -2.33 6.28 0.33 2.29 1.11 -1.26 -0.81 116.67 122.28 1gpx s ASP 16 Ca 0.18 -2.71 0.05 0.00 0.18 0.00 0.00 52.55 50.25 1gpx s ASP 16 Cb -0.10 -2.10 -0.01 0.00 1.07 0.00 0.00 42.92 41.78 1gpx s ASP 16 CO 0.10 -0.52 0.48 -0.69 1.18 0.00 0.00 175.17 175.71 1gpx s VAL 17 N 0.14 4.39 0.00 -1.27 1.01 0.51 -4.88 120.40 120.31 1gpx s VAL 17 Ca 0.17 -0.89 0.00 0.00 0.00 0.00 0.00 61.98 61.26 1gpx s VAL 17 Cb -0.14 -3.55 0.00 0.00 0.00 0.00 0.00 36.38 32.69 1gpx s VAL 17 CO -0.07 -0.24 0.00 0.00 0.00 0.00 0.00 175.10 174.79 1gpx n ALA 18 N -1.66 0.00 -3.10 5.51 0.00 -1.26 0.26 120.51 120.26 1gpx n ALA 18 Ca -0.02 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.07 1gpx n ALA 18 Cb 0.58 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.90 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 0.30 4.86 0.00 0.00 1.47 -1.23 0.13 116.67 122.20 1gpx s ASP 19 Ca 0.00 -0.20 0.00 0.00 1.18 0.00 0.00 52.55 53.53 1gpx s ASP 19 Cb 0.00 -1.83 0.00 0.00 -0.34 0.00 0.00 42.92 40.75 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 4.28 0.77 3.98 2.12 0.00 -1.17 -5.02 105.19 110.13 1gpx n GLY 20 Ca -0.17 0.00 -0.20 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 3.26 0.26 1.61 1.01 -1.26 -4.85 120.40 118.43 1gpx s VAL 21 Ca 0.00 -0.75 0.11 0.00 0.00 0.00 0.00 61.98 61.34 1gpx s VAL 21 Cb 0.00 -3.17 -0.05 0.00 0.00 0.00 0.00 36.38 33.16 1gpx s VAL 21 CO 0.00 -0.10 -0.18 -0.44 0.00 0.00 0.00 175.10 174.38 1gpx s SER 22 N -4.32 3.34 0.37 3.32 0.01 -1.26 0.13 113.70 115.29 1gpx s SER 22 Ca 0.53 -1.03 0.06 0.00 1.31 0.00 0.00 55.95 56.82 1gpx s SER 22 Cb -0.10 -0.26 0.75 0.00 0.21 0.00 0.00 66.02 66.62 1gpx s SER 22 CO 0.36 -0.02 1.97 -0.07 0.41 0.00 0.00 173.24 175.89 1gpx h LEU 23 N 2.33 0.64 0.00 2.44 3.38 -1.68 0.23 115.31 122.65 1gpx h LEU 23 Ca -0.40 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.58 1gpx h LEU 23 Cb 1.25 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.86 1gpx h LEU 23 CO 0.61 0.42 0.00 0.80 0.09 0.00 0.00 178.44 180.36 1gpx n MET 24 N -4.48 0.97 0.00 1.13 1.56 -0.81 -3.32 117.12 112.17 1gpx n MET 24 Ca 0.10 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.53 1gpx n MET 24 Cb 0.21 -1.14 0.00 0.00 2.15 0.00 0.00 33.22 34.45 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 -0.64 0.00 -0.16 2.12 7.27 0.78 -3.48 117.38 123.27 1gpx n GLN 25 Ca 0.06 0.00 -0.08 0.00 0.07 0.00 0.00 57.00 57.06 1gpx n GLN 25 Cb 0.03 -0.39 -0.02 0.00 2.41 0.00 0.00 30.24 32.26 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 -1.77 -0.24 -0.11 1.69 0.00 -1.69 0.91 119.26 118.04 1gpx h ALA 26 Ca 0.00 0.11 0.04 0.00 0.00 0.00 0.00 54.91 55.07 1gpx h ALA 26 Cb 0.00 0.83 -0.05 0.00 0.00 0.00 0.00 17.79 18.57 1gpx h ALA 26 CO 0.00 -0.77 -0.22 0.00 0.00 0.00 0.00 179.25 178.26 1gpx h ALA 27 N 0.71 -0.19 -0.89 0.00 0.00 -1.81 -0.33 119.26 116.75 1gpx h ALA 27 Ca 0.18 0.04 0.11 0.00 0.00 0.00 0.00 54.91 55.24 1gpx h ALA 27 Cb 0.56 0.42 -0.12 0.00 0.00 0.00 0.00 17.79 18.64 1gpx h ALA 27 CO -0.62 -0.68 -0.44 1.55 0.00 0.00 0.00 179.25 179.06 1gpx n VAL 28 N -5.35 -0.54 -0.10 0.00 3.14 0.19 0.13 118.33 115.81 1gpx n VAL 28 Ca -0.03 2.12 -0.08 0.00 -2.96 0.00 0.00 64.34 63.39 1gpx n VAL 28 Cb 0.26 -2.70 -0.00 0.00 -1.06 0.00 0.00 33.84 30.34 1gpx n VAL 28 CO 0.00 0.00 0.00 0.28 -6.46 0.00 0.00 176.83 170.65 1gpx h SER 29 N 0.00 0.28 0.09 6.55 0.02 -0.32 0.32 113.55 120.48 1gpx h SER 29 Ca 0.22 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.18 1gpx h SER 29 Cb 0.44 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 62.94 1gpx h SER 29 CO -0.86 0.20 0.00 0.59 -1.14 0.00 0.00 176.83 175.62 1gpx n ASN 30 N -4.93 0.00 0.00 3.07 3.02 0.36 -4.76 115.26 112.02 1gpx n ASN 30 Ca -0.00 0.07 0.00 0.00 -0.03 0.00 0.00 54.58 54.62 1gpx n ASN 30 Cb 0.07 -0.20 0.00 0.00 -0.61 0.00 0.00 39.78 39.04 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 -0.67 2.62 0.39 7.41 0.00 0.27 -4.86 105.19 110.36 1gpx n GLY 31 Ca 0.04 0.00 0.29 0.00 0.00 0.00 0.00 46.02 46.35 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 0.24 -2.96 -0.61 2.04 -1.21 -2.35 117.51 112.66 1gpx h ILE 32 Ca 0.00 -0.08 -0.67 0.00 1.00 0.00 0.00 64.86 65.12 1gpx h ILE 32 Cb 0.00 0.01 -0.38 0.00 -0.74 0.00 0.00 36.82 35.70 1gpx h ILE 32 CO 0.00 0.04 -0.26 -1.22 0.00 0.00 0.00 178.15 176.71 1gpx n TYR 33 N -4.87 3.67 0.20 1.37 4.01 -1.24 -4.86 117.16 115.45 1gpx n TYR 33 Ca 0.33 -4.06 0.15 0.00 -0.16 0.00 0.00 57.90 54.17 1gpx n TYR 33 Cb 1.16 -0.88 0.60 0.00 -0.31 0.00 0.00 39.34 39.92 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 5.35 0.00 -1.16 7.72 3.04 -1.72 -3.26 116.42 126.40 1gpx h ASP 34 Ca 0.17 0.00 -0.58 0.00 -3.24 0.00 0.00 57.03 53.38 1gpx h ASP 34 Cb 0.74 0.00 -0.10 0.00 -1.04 0.00 0.00 39.33 38.93 1gpx h ASP 34 CO 0.86 0.00 1.44 -0.51 -2.04 0.00 0.00 179.24 178.99 1gpx s ILE 35 N -4.26 3.89 -0.01 4.15 2.07 -1.26 -4.65 121.20 121.13 1gpx s ILE 35 Ca -0.03 -0.68 0.01 0.00 -1.41 0.00 0.00 60.65 58.55 1gpx s ILE 35 Cb 0.10 -5.00 -0.02 0.00 0.13 0.00 0.00 42.46 37.66 1gpx s ILE 35 CO 0.32 -1.89 0.02 0.52 -1.91 0.00 0.00 174.94 172.00 1gpx n VAL 36 N 6.91 0.05 0.05 4.00 0.31 -1.23 -4.64 118.33 123.78 1gpx n VAL 36 Ca 0.32 -0.05 -0.10 0.00 -0.01 0.00 0.00 64.34 64.50 1gpx n VAL 36 Cb 0.51 -0.26 0.07 0.00 -0.91 0.00 0.00 33.84 33.24 1gpx n VAL 36 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1gpx n GLY 37 N 2.67 3.05 0.60 2.92 0.00 -1.26 -3.65 105.19 109.51 1gpx n GLY 37 Ca -0.01 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.54 1gpx n GLY 37 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1gpx n ASP 38 N -0.07 1.62 -0.03 1.61 -0.08 -1.26 -4.96 116.55 113.38 1gpx n ASP 38 Ca 0.23 0.00 -0.06 0.00 -1.51 0.00 0.00 54.79 53.45 1gpx n ASP 38 Cb 0.92 0.00 -0.02 0.00 2.34 0.00 0.00 41.12 44.36 1gpx n ASP 38 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1gpx n GLY 40 N 2.46 -0.28 1.98 0.00 0.00 -1.24 0.88 105.19 108.98 1gpx n GLY 40 Ca -0.11 0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.06 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 -1.87 0.39 0.02 -0.02 0.00 -1.26 -4.94 105.19 97.50 1gpx n GLY 41 Ca -0.17 -0.89 -0.03 0.00 0.00 0.00 0.00 46.02 44.94 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 1.98 3.66 -2.11 1.61 7.64 0.25 -5.07 113.62 121.58 1gpx n SER 42 Ca 0.00 -0.02 -0.05 0.00 1.01 0.00 0.00 58.87 59.80 1gpx n SER 42 Cb 0.48 -0.04 0.03 0.00 -1.01 0.00 0.00 64.21 63.67 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 -2.61 -1.18 -0.73 -0.43 0.00 -1.26 -4.95 120.51 109.36 1gpx n ALA 43 Ca -0.08 0.04 0.01 0.00 0.00 0.00 0.00 53.44 53.41 1gpx n ALA 43 Cb 0.59 -2.32 0.01 0.00 0.00 0.00 0.00 19.45 17.73 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 -2.10 0.83 -4.29 0.00 7.64 -1.26 -4.22 113.62 110.22 1gpx n SER 44 Ca -0.03 -1.54 -0.35 0.00 1.01 0.00 0.00 58.87 57.96 1gpx n SER 44 Cb 0.54 -0.04 -0.14 0.00 -1.01 0.00 0.00 64.21 63.56 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 4.70 2.49 0.16 0.00 0.00 -1.24 -3.04 120.51 123.58 1gpx n ALA 46 Ca -0.19 -0.16 0.10 0.00 0.00 0.00 0.00 53.44 53.19 1gpx n ALA 46 Cb 0.51 -1.44 0.08 0.00 0.00 0.00 0.00 19.45 18.60 1gpx n ALA 46 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 1gpx h THR 47 N 0.00 0.17 -0.59 0.00 1.35 -1.93 -3.27 112.91 108.64 1gpx h THR 47 Ca 0.00 -1.26 0.00 0.00 -0.55 0.00 0.00 66.41 64.60 1gpx h THR 47 Cb 0.04 1.92 0.00 0.00 -1.73 0.00 0.00 68.15 68.38 1gpx h THR 47 CO 0.00 0.09 0.00 0.00 -0.25 0.00 0.00 175.52 175.36 1gpx n HIS 49 N 0.89 0.99 -4.08 0.00 -0.00 -1.23 0.28 115.22 112.07 1gpx n HIS 49 Ca 0.25 0.77 -0.09 0.00 0.46 0.00 0.00 57.72 59.11 1gpx n HIS 49 Cb 0.95 -2.21 -0.10 0.00 -0.12 0.00 0.00 29.99 28.50 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 -0.24 0.37 -0.22 3.57 -7.23 0.76 -4.01 120.40 113.41 1gpx s VAL 50 Ca 0.75 -1.53 0.00 0.00 -1.81 0.00 0.00 61.98 59.39 1gpx s VAL 50 Cb -0.93 -1.15 0.03 0.00 0.56 0.00 0.00 36.38 34.90 1gpx s VAL 50 CO 0.53 -0.76 -0.14 -0.31 -0.31 0.00 0.00 175.10 174.12 1gpx s TYR 51 N -2.91 2.97 0.46 2.82 1.51 0.90 -1.11 117.35 121.99 1gpx s TYR 51 Ca 0.01 -1.73 0.02 0.00 -1.01 0.00 0.00 57.07 54.36 1gpx s TYR 51 Cb 0.01 -1.97 0.01 0.00 -0.11 0.00 0.00 41.96 39.89 1gpx s TYR 51 CO -0.05 -0.79 0.67 0.08 -1.11 0.00 0.00 175.55 174.35 1gpx s VAL 52 N 1.27 3.65 0.09 0.71 1.01 -1.26 0.24 120.40 126.12 1gpx s VAL 52 Ca 0.01 -0.62 -0.24 0.00 0.00 0.00 0.00 61.98 61.13 1gpx s VAL 52 Cb -0.15 -3.34 -0.07 0.00 0.00 0.00 0.00 36.38 32.82 1gpx s VAL 52 CO -0.09 -0.22 0.75 0.54 0.00 0.00 0.00 175.10 176.08 1gpx s ASN 53 N -4.27 7.27 0.65 3.32 2.20 -0.59 -4.88 114.94 118.64 1gpx s ASN 53 Ca 0.50 1.50 0.07 0.00 -0.94 0.00 0.00 52.86 54.00 1gpx s ASN 53 Cb -0.10 -2.47 0.29 0.00 -2.00 0.00 0.00 41.25 36.97 1gpx s ASN 53 CO 0.37 0.12 1.13 1.05 -2.94 0.00 0.00 177.10 176.82 1gpx h GLU 54 N 5.03 0.00 0.02 3.55 4.11 -1.97 -0.19 114.58 125.14 1gpx h GLU 54 Ca -0.46 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 58.97 1gpx h GLU 54 Cb 1.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.46 1gpx h GLU 54 CO 0.68 0.00 -0.01 0.00 0.07 0.00 0.00 179.01 179.75 1gpx h ALA 55 N 0.20 -0.03 -0.00 1.06 0.00 -1.97 -3.26 119.26 115.26 1gpx h ALA 55 Ca 0.09 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1gpx h ALA 55 Cb 2.07 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.87 1gpx h ALA 55 CO -0.00 -0.13 -0.13 1.19 0.00 0.00 0.00 179.25 180.19 1gpx n PHE 56 N -4.74 0.00 -0.06 0.00 3.01 -0.14 -3.96 117.46 111.57 1gpx n PHE 56 Ca -0.09 0.00 -0.07 0.00 1.01 0.00 0.00 57.45 58.30 1gpx n PHE 56 Cb 0.35 -0.19 -0.06 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 0.58 0.88 0.00 4.37 1.35 -1.49 -3.18 112.91 115.42 1gpx h THR 57 Ca 0.00 -1.67 0.00 0.00 -0.55 0.00 0.00 66.41 64.19 1gpx h THR 57 Cb 0.38 1.67 0.00 0.00 -1.73 0.00 0.00 68.15 68.46 1gpx h THR 57 CO 0.00 0.30 0.00 -0.90 -0.25 0.00 0.00 175.52 174.67 1gpx n ASP 58 N -4.69 0.29 -0.05 5.36 5.68 -1.23 -2.17 116.55 119.74 1gpx n ASP 58 Ca -0.05 0.63 -0.08 0.00 -0.50 0.00 0.00 54.79 54.79 1gpx n ASP 58 Cb 0.25 -0.67 -0.07 0.00 -1.14 0.00 0.00 41.12 39.48 1gpx n ASP 58 CO 0.00 0.00 0.00 0.11 -1.33 0.00 0.00 177.20 175.98 1gpx h LYS 59 N 0.00 -0.02 -7.21 0.11 1.57 -1.69 -3.46 116.57 105.88 1gpx h LYS 59 Ca 0.00 0.00 -0.49 0.00 -1.87 0.00 0.00 60.65 58.29 1gpx h LYS 59 Cb 0.03 0.00 0.05 0.00 0.08 0.00 0.00 32.23 32.39 1gpx h LYS 59 CO 0.00 0.52 0.38 0.54 -0.57 0.00 0.00 179.45 180.32 1gpx s VAL 60 N -2.05 4.11 1.09 0.50 0.11 -0.92 -5.03 120.40 118.20 1gpx s VAL 60 Ca -0.11 0.98 -0.12 0.00 -2.93 0.00 0.00 61.98 59.80 1gpx s VAL 60 Cb -0.01 -3.52 0.24 0.00 -1.53 0.00 0.00 36.38 31.55 1gpx s VAL 60 CO 0.39 -0.61 1.06 -2.16 -3.33 0.00 0.00 175.10 170.44 1gpx s PRO 61 N -4.16 -0.30 0.02 1.54 0.04 -1.26 -4.91 135.00 125.97 1gpx s PRO 61 Ca 0.61 0.84 -0.00 0.00 0.04 0.00 0.00 61.00 62.49 1gpx s PRO 61 Cb -0.14 -1.63 0.00 0.00 0.04 0.00 0.00 34.50 32.78 1gpx s PRO 61 CO 0.36 -3.31 0.03 0.00 0.04 0.00 0.00 177.00 174.12 1gpx n ALA 62 N -4.63 -0.03 -2.69 8.56 0.00 -1.26 -4.97 120.51 115.49 1gpx n ALA 62 Ca 0.05 -0.04 -0.24 0.00 0.00 0.00 0.00 53.44 53.21 1gpx n ALA 62 Cb 0.55 -0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.93 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 -3.97 3.26 1.00 0.00 0.00 -1.26 -4.98 121.76 115.82 1gpx s ALA 63 Ca 0.02 -1.49 0.00 0.00 0.00 0.00 0.00 51.96 50.48 1gpx s ALA 63 Cb -0.00 -0.96 0.00 0.00 0.00 0.00 0.00 23.12 22.16 1gpx s ALA 63 CO 0.01 0.35 0.00 0.27 0.00 0.00 0.00 175.76 176.39 1gpx n ASN 64 N -0.64 -0.01 0.18 0.00 2.04 -1.26 -4.94 115.26 110.63 1gpx n ASN 64 Ca -0.08 -0.18 0.07 0.00 -0.44 0.00 0.00 54.58 53.95 1gpx n ASN 64 Cb 0.57 0.00 0.09 0.00 -2.53 0.00 0.00 39.78 37.92 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 -0.30 -3.83 4.11 -2.00 -3.28 114.58 109.28 1gpx h GLU 65 Ca 0.00 0.00 -0.12 0.00 0.07 0.00 0.00 59.36 59.31 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 0.26 -0.29 0.07 0.07 0.00 0.00 179.01 179.12 1gpx h ARG 66 N 0.00 0.72 0.00 1.06 0.11 -1.93 -2.51 114.38 111.82 1gpx h ARG 66 Ca -0.00 -0.38 0.00 0.00 0.10 0.00 0.00 59.98 59.70 1gpx h ARG 66 Cb 1.20 0.01 0.00 0.00 1.11 0.00 0.00 29.97 32.29 1gpx h ARG 66 CO 0.03 0.99 0.01 -1.91 0.10 0.00 0.00 179.97 179.20 1gpx n GLU 67 N -4.25 0.00 0.05 0.08 0.00 -1.24 -0.56 120.64 114.72 1gpx n GLU 67 Ca -0.04 0.36 0.12 0.00 0.00 0.00 0.00 57.16 57.60 1gpx n GLU 67 Cb 0.47 -1.51 0.10 0.00 0.00 0.00 0.00 31.44 30.50 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 -1.36 0.32 0.00 6.31 -0.00 -0.95 -3.62 119.36 120.07 1gpx n ILE 68 Ca 0.00 -0.30 0.00 0.00 -0.00 0.00 0.00 62.75 62.45 1gpx n ILE 68 Cb 0.01 -0.05 0.00 0.00 -0.00 0.00 0.00 39.64 39.61 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 1.33 0.56 0.43 7.39 0.00 0.28 -3.40 105.19 111.77 1gpx n GLY 69 Ca 0.02 0.00 0.25 0.00 0.00 0.00 0.00 46.02 46.29 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 0.00 0.31 -0.01 1.61 -0.00 -1.81 1.64 114.93 116.66 1gpx h MET 70 Ca 0.00 -0.02 -0.06 0.00 -0.00 0.00 0.00 59.70 59.62 1gpx h MET 70 Cb 0.00 -0.07 -0.01 0.00 -0.00 0.00 0.00 31.60 31.52 1gpx h MET 70 CO 0.00 0.20 -0.26 1.25 -0.00 0.00 0.00 176.91 178.10 1gpx h LEU 71 N 0.31 0.02 0.00 -0.10 6.46 -1.78 -2.51 115.31 117.72 1gpx h LEU 71 Ca 0.58 -0.00 -0.26 0.00 -0.12 0.00 0.00 57.88 58.07 1gpx h LEU 71 Cb 1.63 -0.01 -0.05 0.00 -0.73 0.00 0.00 40.66 41.51 1gpx h LEU 71 CO -0.24 0.28 -1.64 1.21 -0.62 0.00 0.00 178.44 177.43 1gpx n GLU 72 N -4.22 0.63 -0.20 1.25 2.13 0.49 -4.14 120.64 116.58 1gpx n GLU 72 Ca -0.02 0.28 -0.00 0.00 0.66 0.00 0.00 57.16 58.08 1gpx n GLU 72 Cb 0.32 -1.80 0.08 0.00 0.27 0.00 0.00 31.44 30.31 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 -5.33 4.32 -1.46 0.00 0.24 -1.20 -4.93 118.33 109.97 1gpx n VAL 74 Ca 0.08 -4.66 -0.15 0.00 -2.04 0.00 0.00 64.34 57.56 1gpx n VAL 74 Cb 0.34 -2.42 -0.14 0.00 -1.47 0.00 0.00 33.84 30.14 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 4.06 0.00 -1.58 3.34 5.66 -0.98 -4.69 114.28 120.10 1gpx n THR 75 Ca 0.37 -0.45 -0.32 0.00 -3.05 0.00 0.00 64.05 60.60 1gpx n THR 75 Cb 0.40 -0.83 0.06 0.00 -1.55 0.00 0.00 70.33 68.42 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 10.99 6.00 -3.10 1.79 0.00 -1.26 -4.63 120.51 130.30 1gpx n ALA 76 Ca 0.49 -3.63 -0.14 0.00 0.00 0.00 0.00 53.44 50.16 1gpx n ALA 76 Cb 0.31 -1.40 0.06 0.00 0.00 0.00 0.00 19.45 18.42 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 -0.83 -4.89 0.00 0.00 0.28 -1.26 -4.64 120.64 109.31 1gpx n GLU 77 Ca 0.57 0.55 0.00 0.00 -0.16 0.00 0.00 57.16 58.12 1gpx n GLU 77 Cb 0.70 -4.73 0.00 0.00 1.43 0.00 0.00 31.44 28.84 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 -3.30 0.00 -4.71 -1.84 7.94 -1.26 -4.94 117.00 108.89 1gpx n LEU 78 Ca -0.08 0.00 -0.28 0.00 -1.11 0.00 0.00 56.01 54.54 1gpx n LEU 78 Cb 0.57 0.00 -0.08 0.00 0.53 0.00 0.00 43.42 44.44 1gpx n LEU 78 CO 0.42 0.00 -0.22 -0.54 -1.11 0.00 0.00 177.39 175.94 1gpx s LYS 79 N 0.00 2.11 0.40 1.96 -0.14 -1.26 -4.98 119.74 117.83 1gpx s LYS 79 Ca 0.00 -2.09 0.19 0.00 -1.36 0.00 0.00 55.97 52.71 1gpx s LYS 79 Cb 0.00 -1.75 0.83 0.00 -1.68 0.00 0.00 37.83 35.23 1gpx s LYS 79 CO 0.00 -0.18 1.81 -1.00 -0.76 0.00 0.00 175.35 175.22 1gpx h PRO 80 N 1.50 0.00 -0.00 -1.68 0.13 -2.01 -3.00 132.00 126.94 1gpx h PRO 80 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 1gpx h PRO 80 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 1gpx h PRO 80 CO 0.74 0.33 -0.70 0.27 -0.23 0.00 0.00 178.00 178.41 1gpx n ASN 81 N -3.67 0.92 -4.29 1.44 6.94 -1.26 -5.02 115.26 110.32 1gpx n ASN 81 Ca -0.01 -0.96 -0.35 0.00 -0.02 0.00 0.00 54.58 53.25 1gpx n ASN 81 Cb 0.44 0.92 0.08 0.00 -2.36 0.00 0.00 39.78 38.86 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 -1.18 -3.25 -3.60 0.53 7.64 -1.13 -4.37 113.62 108.26 1gpx n SER 82 Ca 0.04 0.34 -0.03 0.00 1.01 0.00 0.00 58.87 60.22 1gpx n SER 82 Cb 0.27 -1.05 -0.02 0.00 -1.01 0.00 0.00 64.21 62.40 1gpx n SER 82 CO 0.00 0.00 0.00 -0.60 -3.01 0.00 0.00 175.04 171.43 1gpx s ARG 83 N -2.89 0.30 0.22 1.43 6.06 -0.26 -4.91 118.95 118.91 1gpx s ARG 83 Ca 0.53 -0.12 -0.30 0.00 -2.50 0.00 0.00 55.73 53.34 1gpx s ARG 83 Cb -0.23 0.13 -0.09 0.00 0.06 0.00 0.00 34.95 34.82 1gpx s ARG 83 CO 0.71 -0.13 0.93 -1.17 -2.50 0.00 0.00 175.30 173.13 1gpx s LEU 84 N -2.32 4.63 0.49 -0.88 0.20 -1.26 0.27 118.68 119.81 1gpx s LEU 84 Ca 0.10 1.91 0.42 0.00 0.69 0.00 0.00 54.13 57.26 1gpx s LEU 84 Cb 0.00 -3.58 1.55 0.00 -0.43 0.00 0.00 46.19 43.73 1gpx s LEU 84 CO -0.04 0.14 1.46 -1.20 -0.29 0.00 0.00 176.35 176.42 1gpx n SER 85 N 1.61 0.06 -1.90 3.68 7.64 0.81 0.12 113.62 125.64 1gpx n SER 85 Ca -0.02 1.05 -0.18 0.00 1.01 0.00 0.00 58.87 60.72 1gpx n SER 85 Cb 0.47 -0.52 0.06 0.00 -1.01 0.00 0.00 64.21 63.22 1gpx n SER 85 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1gpx n GLN 87 N -0.05 0.00 -3.48 0.00 1.13 0.32 -4.01 117.38 111.29 1gpx n GLN 87 Ca 0.36 0.00 -0.31 0.00 -1.94 0.00 0.00 57.00 55.10 1gpx n GLN 87 Cb 0.76 -0.77 -0.05 0.00 0.11 0.00 0.00 30.24 30.29 1gpx n GLN 87 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1gpx s ILE 88 N -1.66 5.02 0.32 5.09 1.01 -1.26 -4.94 121.20 124.78 1gpx s ILE 88 Ca 0.00 0.25 0.08 0.00 0.00 0.00 0.00 60.65 60.99 1gpx s ILE 88 Cb 0.00 -3.64 -0.04 0.00 0.01 0.00 0.00 42.46 38.79 1gpx s ILE 88 CO 0.00 -0.08 0.12 -0.63 0.00 0.00 0.00 174.94 174.34 1gpx s ILE 89 N -1.82 3.24 -0.35 2.92 -1.09 -1.26 -3.43 121.20 119.43 1gpx s ILE 89 Ca 0.45 -1.72 -0.06 0.00 -2.23 0.00 0.00 60.65 57.09 1gpx s ILE 89 Cb -0.11 -2.98 0.05 0.00 -1.58 0.00 0.00 42.46 37.83 1gpx s ILE 89 CO 0.24 -0.24 0.11 -0.32 -1.23 0.00 0.00 174.94 173.50 1gpx s MET 90 N -3.81 2.55 0.46 2.79 1.75 0.35 -4.89 119.30 118.50 1gpx s MET 90 Ca 0.36 -1.27 -0.05 0.00 -1.25 0.00 0.00 55.69 53.49 1gpx s MET 90 Cb -0.04 -3.46 -0.04 0.00 2.84 0.00 0.00 34.83 34.13 1gpx s MET 90 CO 0.22 -0.72 0.75 0.95 -0.65 0.00 0.00 175.02 175.58 1gpx s THR 91 N 1.36 4.93 -1.89 10.11 -4.23 -1.26 -3.07 115.64 121.59 1gpx s THR 91 Ca -0.01 0.14 0.19 0.00 -1.18 0.00 0.00 61.69 60.83 1gpx s THR 91 Cb -0.20 -3.86 0.51 0.00 1.34 0.00 0.00 72.50 70.29 1gpx s THR 91 CO 0.02 -0.79 1.55 -0.81 -0.54 0.00 0.00 174.62 174.05 1gpx n PRO 92 N -2.13 0.54 -0.04 3.99 -0.04 -1.26 -2.76 135.00 133.30 1gpx n PRO 92 Ca -0.00 0.02 -0.02 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 -1.05 1.81 -2.55 0.54 0.28 -1.26 -4.67 120.64 113.73 1gpx n GLU 93 Ca 0.13 -0.03 -0.41 0.00 -0.16 0.00 0.00 57.16 56.69 1gpx n GLU 93 Cb 0.08 -1.26 0.02 0.00 1.43 0.00 0.00 31.44 31.71 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 -2.24 7.44 -4.89 -1.84 4.77 -1.11 -4.99 117.00 114.14 1gpx n LEU 94 Ca -0.12 -5.30 -0.34 0.00 -0.03 0.00 0.00 56.01 50.22 1gpx n LEU 94 Cb 0.68 -1.21 -0.05 0.00 -2.33 0.00 0.00 43.42 40.51 1gpx n LEU 94 CO 0.22 2.03 -0.17 1.51 -1.33 0.00 0.00 177.39 179.65 1gpx s ASP 95 N -1.07 6.29 0.00 -1.43 -4.77 -1.26 -4.39 116.67 110.04 1gpx s ASP 95 Ca 0.41 0.34 0.00 0.00 -3.30 0.00 0.00 52.55 50.00 1gpx s ASP 95 Cb 0.18 -1.97 0.00 0.00 -1.09 0.00 0.00 42.92 40.04 1gpx s ASP 95 CO -0.11 0.29 0.00 0.61 0.70 0.00 0.00 175.17 176.65 1gpx n GLY 96 N 1.15 1.46 3.63 2.12 0.00 0.41 -4.79 105.19 109.16 1gpx n GLY 96 Ca -0.13 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.47 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 4.17 -0.12 -0.61 -1.16 -0.94 -4.86 121.20 115.69 1gpx s ILE 97 Ca 0.00 1.32 -0.30 0.00 -0.51 0.00 0.00 60.65 61.17 1gpx s ILE 97 Cb 0.00 -4.18 -0.02 0.00 0.61 0.00 0.00 42.46 38.87 1gpx s ILE 97 CO 0.00 -0.48 1.14 -0.69 -2.81 0.00 0.00 174.94 172.10 1gpx s VAL 98 N 4.32 4.46 0.38 4.00 1.01 -1.26 -2.03 120.40 131.28 1gpx s VAL 98 Ca 0.55 1.76 0.05 0.00 0.00 0.00 0.00 61.98 64.34 1gpx s VAL 98 Cb -0.16 -4.13 0.05 0.00 0.00 0.00 0.00 36.38 32.14 1gpx s VAL 98 CO 0.23 -0.06 0.43 0.52 0.00 0.00 0.00 175.10 176.21 1gpx n VAL 99 N 4.88 0.00 -3.62 2.92 0.31 0.15 -1.55 118.33 121.42 1gpx n VAL 99 Ca 0.11 -1.38 -0.13 0.00 -0.01 0.00 0.00 64.34 62.93 1gpx n VAL 99 Cb 0.46 -0.46 -0.07 0.00 -0.91 0.00 0.00 33.84 32.87 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 -3.32 -0.66 -0.52 4.52 1.01 0.67 -2.75 116.67 115.61 1gpx s ASP 100 Ca 0.32 1.19 -0.17 0.00 0.71 0.00 0.00 52.55 54.61 1gpx s ASP 100 Cb -0.03 1.18 0.09 0.00 1.01 0.00 0.00 42.92 45.18 1gpx s ASP 100 CO 0.21 -0.27 0.54 -0.69 0.21 0.00 0.00 175.17 175.16 1gpx s VAL 101 N 0.10 5.05 -1.14 -1.27 1.01 0.65 0.31 120.40 125.10 1gpx s VAL 101 Ca -0.01 -1.02 -0.23 0.00 0.00 0.00 0.00 61.98 60.72 1gpx s VAL 101 Cb -0.04 -4.30 -0.11 0.00 0.00 0.00 0.00 36.38 31.93 1gpx s VAL 101 CO 0.01 -0.82 1.95 -0.81 0.00 0.00 0.00 175.10 175.42 1gpx n PRO 102 N 5.69 1.43 -1.64 2.72 -0.04 -1.26 -3.66 135.00 138.25 1gpx n PRO 102 Ca -0.11 -2.34 -0.26 0.00 -0.04 0.00 0.00 63.50 60.75 1gpx n PRO 102 Cb 0.43 -3.69 0.06 0.00 -0.04 0.00 0.00 33.50 30.26 1gpx n PRO 102 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1gpx n ASP 103 N 14.49 5.75 -3.48 3.54 2.03 -1.26 -4.57 116.55 133.05 1gpx n ASP 103 Ca 0.45 -3.77 -0.13 0.00 0.52 0.00 0.00 54.79 51.86 1gpx n ASP 103 Cb 0.46 -0.62 0.12 0.00 -0.72 0.00 0.00 41.12 40.37 1gpx n ASP 103 CO 0.00 0.00 0.00 -2.11 -1.92 0.00 0.00 177.20 173.17 1gpx n ARG 104 N -0.83 -1.00 -3.09 -0.67 -4.01 -1.26 -4.92 116.66 100.87 1gpx n ARG 104 Ca 0.50 -0.61 -0.27 0.00 -1.04 0.00 0.00 57.85 56.43 1gpx n ARG 104 Cb 0.87 -1.32 -0.05 0.00 -3.04 0.00 0.00 32.46 28.91 1gpx n ARG 104 CO 0.00 0.00 0.00 0.94 -3.04 0.00 0.00 177.63 175.53 1gpx n GLN 105 N -0.93 3.00 0.00 2.89 -0.06 -1.26 -4.97 117.38 116.05 1gpx n GLN 105 Ca 0.06 -4.79 0.00 0.00 -2.00 0.00 0.00 57.00 50.27 1gpx n GLN 105 Cb 0.25 -2.24 0.00 0.00 -4.06 0.00 0.00 30.24 24.20 1gpx n GLN 105 CO 0.00 0.00 0.00 1.87 -0.20 0.00 0.00 177.06 178.73