#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 3.89 0.04 1.43 2.20 -1.26 0.14 119.74 126.18 1gpx s LYS 2 Ca 0.00 0.31 0.09 0.00 -0.36 0.00 0.00 55.97 56.00 1gpx s LYS 2 Cb 0.00 -3.73 -0.03 0.00 -1.51 0.00 0.00 37.83 32.56 1gpx s LYS 2 CO 0.00 -0.59 -0.26 0.08 -0.36 0.00 0.00 175.35 174.23 1gpx s VAL 3 N 2.64 2.07 -0.06 4.02 1.01 -0.69 0.15 120.40 129.54 1gpx s VAL 3 Ca 0.26 -1.34 0.02 0.00 0.00 0.00 0.00 61.98 60.92 1gpx s VAL 3 Cb -0.15 -1.77 0.01 0.00 0.00 0.00 0.00 36.38 34.48 1gpx s VAL 3 CO 0.12 0.36 -0.13 -0.69 0.00 0.00 0.00 175.10 174.76 1gpx s VAL 4 N -0.79 1.16 -0.11 2.92 1.01 0.29 0.30 120.40 125.18 1gpx s VAL 4 Ca 0.11 -0.49 -0.03 0.00 0.00 0.00 0.00 61.98 61.57 1gpx s VAL 4 Cb -0.10 -1.05 -0.03 0.00 0.00 0.00 0.00 36.38 35.20 1gpx s VAL 4 CO 0.02 0.36 0.01 -0.31 0.00 0.00 0.00 175.10 175.18 1gpx s TYR 5 N 0.63 3.18 -0.12 5.22 2.02 0.83 0.25 117.35 129.37 1gpx s TYR 5 Ca -0.14 0.14 0.03 0.00 -0.37 0.00 0.00 57.07 56.73 1gpx s TYR 5 Cb -0.16 -1.85 0.00 0.00 -0.40 0.00 0.00 41.96 39.56 1gpx s TYR 5 CO 0.04 0.39 -0.23 0.08 -1.57 0.00 0.00 175.55 174.25 1gpx s VAL 6 N -0.60 2.04 0.52 0.71 1.01 -0.47 0.18 120.40 123.80 1gpx s VAL 6 Ca 0.10 -0.99 -0.17 0.00 0.00 0.00 0.00 61.98 60.92 1gpx s VAL 6 Cb -0.12 -1.78 -0.08 0.00 0.00 0.00 0.00 36.38 34.40 1gpx s VAL 6 CO 0.02 0.55 0.99 -0.94 0.00 0.00 0.00 175.10 175.72 1gpx s SER 7 N 0.54 6.56 0.00 3.32 1.04 0.50 -0.51 113.70 125.16 1gpx s SER 7 Ca -0.14 1.60 0.12 0.00 0.48 0.00 0.00 55.95 58.00 1gpx s SER 7 Cb -0.17 -2.51 0.59 0.00 0.10 0.00 0.00 66.02 64.03 1gpx s SER 7 CO 0.04 -0.63 1.26 1.57 0.98 0.00 0.00 173.24 176.47 1gpx n HIS 8 N -1.58 0.00 0.70 5.02 -0.00 -1.24 -1.11 115.22 117.00 1gpx n HIS 8 Ca 0.07 0.00 0.11 0.00 -0.00 0.00 0.00 57.72 57.90 1gpx n HIS 8 Cb 0.54 -0.26 0.07 0.00 -0.00 0.00 0.00 29.99 30.33 1gpx n HIS 8 CO 0.00 0.00 0.00 -0.40 -0.00 0.00 0.00 176.34 175.94 1gpx n ASP 9 N -1.26 0.64 0.00 0.26 5.68 -1.26 -4.68 116.55 115.92 1gpx n ASP 9 Ca 0.06 -0.27 0.00 0.00 -0.50 0.00 0.00 54.79 54.08 1gpx n ASP 9 Cb 0.09 0.65 0.00 0.00 -1.14 0.00 0.00 41.12 40.71 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 1.41 1.91 3.63 6.12 0.00 -0.27 -5.12 105.19 112.86 1gpx n GLY 10 Ca 0.03 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.73 1gpx n GLY 10 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1gpx s THR 11 N -2.00 3.83 0.08 2.61 -1.32 -1.23 -4.87 115.64 112.73 1gpx s THR 11 Ca 0.00 -0.71 0.08 0.00 -1.21 0.00 0.00 61.69 59.85 1gpx s THR 11 Cb 0.00 -2.68 -0.03 0.00 -1.51 0.00 0.00 72.50 68.28 1gpx s THR 11 CO 0.00 0.39 -0.22 -0.13 -2.21 0.00 0.00 174.62 172.44 1gpx s ARG 12 N -1.47 1.32 0.01 7.08 0.52 -1.26 0.19 118.95 125.34 1gpx s ARG 12 Ca 0.18 -1.11 -0.00 0.00 -0.52 0.00 0.00 55.73 54.28 1gpx s ARG 12 Cb -0.11 -1.56 -0.01 0.00 0.52 0.00 0.00 34.95 33.79 1gpx s ARG 12 CO 0.08 0.38 -0.02 0.50 0.02 0.00 0.00 175.30 176.27 1gpx s ARG 13 N -1.61 0.22 -0.14 3.54 3.52 0.49 -4.92 118.95 120.06 1gpx s ARG 13 Ca 0.08 -0.42 -0.01 0.00 -0.13 0.00 0.00 55.73 55.25 1gpx s ARG 13 Cb -0.10 0.08 0.03 0.00 -1.56 0.00 0.00 34.95 33.41 1gpx s ARG 13 CO 0.03 -0.04 -0.05 -1.21 -0.81 0.00 0.00 175.30 173.23 1gpx s GLU 14 N -1.02 1.30 0.14 5.12 8.01 -1.26 0.29 118.70 131.29 1gpx s GLU 14 Ca -0.11 -0.33 0.01 0.00 0.01 0.00 0.00 54.97 54.55 1gpx s GLU 14 Cb -0.07 -1.72 0.01 0.00 -4.31 0.00 0.00 34.13 28.04 1gpx s GLU 14 CO -0.01 -0.37 0.05 1.28 0.01 0.00 0.00 175.26 176.23 1gpx n LEU 15 N 4.95 0.00 -4.07 1.80 4.32 0.15 -4.94 117.00 119.20 1gpx n LEU 15 Ca -0.11 -0.83 -0.34 0.00 -0.02 0.00 0.00 56.01 54.71 1gpx n LEU 15 Cb 0.49 0.05 -0.13 0.00 -1.62 0.00 0.00 43.42 42.21 1gpx n LEU 15 CO 0.15 -0.23 -0.20 -0.62 -1.22 0.00 0.00 177.39 175.27 1gpx s ASP 16 N -1.82 5.04 -0.56 -1.43 2.15 -1.26 -1.70 116.67 117.09 1gpx s ASP 16 Ca 0.04 -2.21 -0.17 0.00 0.43 0.00 0.00 52.55 50.64 1gpx s ASP 16 Cb -0.00 -1.75 0.12 0.00 -0.30 0.00 0.00 42.92 40.99 1gpx s ASP 16 CO 0.03 -0.46 0.56 -0.69 -0.17 0.00 0.00 175.17 174.44 1gpx s VAL 17 N 0.86 5.10 0.00 1.11 1.01 0.37 -4.69 120.40 124.16 1gpx s VAL 17 Ca 0.10 -1.37 0.00 0.00 0.00 0.00 0.00 61.98 60.72 1gpx s VAL 17 Cb -0.22 -4.39 0.00 0.00 0.00 0.00 0.00 36.38 31.78 1gpx s VAL 17 CO -0.05 -0.95 0.00 0.00 0.00 0.00 0.00 175.10 174.10 1gpx n ALA 18 N 5.55 0.00 -2.27 5.51 0.00 -1.26 0.27 120.51 128.30 1gpx n ALA 18 Ca -0.12 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 52.89 1gpx n ALA 18 Cb 0.41 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.83 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 6.86 0.00 0.00 -4.77 -1.21 -2.75 116.67 113.80 1gpx s ASP 19 Ca 0.00 1.95 0.00 0.00 -3.30 0.00 0.00 52.55 51.20 1gpx s ASP 19 Cb 0.00 -2.54 0.00 0.00 -1.09 0.00 0.00 42.92 39.29 1gpx s ASP 19 CO 0.00 -0.77 0.00 0.61 0.70 0.00 0.00 175.17 175.71 1gpx n GLY 20 N 3.72 0.80 3.92 2.12 0.00 -1.20 -5.03 105.19 109.51 1gpx n GLY 20 Ca 0.14 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.96 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 3.43 0.17 1.61 1.01 -1.11 -4.90 120.40 118.61 1gpx s VAL 21 Ca 0.00 -1.21 0.11 0.00 0.00 0.00 0.00 61.98 60.88 1gpx s VAL 21 Cb 0.00 -3.18 -0.04 0.00 0.00 0.00 0.00 36.38 33.16 1gpx s VAL 21 CO 0.00 -0.11 -0.24 -0.94 0.00 0.00 0.00 175.10 173.81 1gpx s SER 22 N -4.12 3.27 0.52 3.32 1.04 -1.26 0.29 113.70 116.75 1gpx s SER 22 Ca 0.45 -0.83 0.36 0.00 0.48 0.00 0.00 55.95 56.41 1gpx s SER 22 Cb -0.07 -0.23 1.51 0.00 0.10 0.00 0.00 66.02 67.34 1gpx s SER 22 CO 0.29 0.11 1.75 -0.07 0.98 0.00 0.00 173.24 176.29 1gpx h LEU 23 N 3.39 0.08 0.09 2.42 3.38 -1.70 -1.46 115.31 121.51 1gpx h LEU 23 Ca -0.47 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.52 1gpx h LEU 23 Cb 1.20 0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.96 1gpx h LEU 23 CO 0.46 -0.00 -0.04 -0.03 0.09 0.00 0.00 178.44 178.91 1gpx h MET 24 N 0.06 -0.12 -0.10 1.13 4.05 -1.24 -3.23 114.93 115.48 1gpx h MET 24 Ca 0.65 0.01 0.01 0.00 -0.28 0.00 0.00 59.70 60.09 1gpx h MET 24 Cb 2.45 0.03 -0.01 0.00 -0.80 0.00 0.00 31.60 33.26 1gpx h MET 24 CO -0.08 0.11 -0.06 0.94 0.23 0.00 0.00 176.91 178.04 1gpx n GLN 25 N -4.84 -0.05 -0.03 0.39 7.27 -0.56 0.43 117.38 120.00 1gpx n GLN 25 Ca -0.04 0.91 -0.02 0.00 0.07 0.00 0.00 57.00 57.93 1gpx n GLN 25 Cb 0.14 -1.37 -0.01 0.00 2.41 0.00 0.00 30.24 31.41 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 -0.71 -0.29 -0.76 1.69 0.00 -1.72 0.22 119.26 117.70 1gpx h ALA 26 Ca 0.02 0.00 0.17 0.00 0.00 0.00 0.00 54.91 55.10 1gpx h ALA 26 Cb 0.04 0.84 -0.12 0.00 0.00 0.00 0.00 17.79 18.54 1gpx h ALA 26 CO -0.10 -0.33 0.09 0.00 0.00 0.00 0.00 179.25 178.91 1gpx h ALA 27 N -1.05 0.89 -0.24 0.00 0.00 -1.23 -1.22 119.26 116.41 1gpx h ALA 27 Ca 0.01 0.21 0.03 0.00 0.00 0.00 0.00 54.91 55.17 1gpx h ALA 27 Cb 0.07 0.34 -0.06 0.00 0.00 0.00 0.00 17.79 18.15 1gpx h ALA 27 CO -0.09 -0.40 -0.40 0.28 0.00 0.00 0.00 179.25 178.63 1gpx h VAL 28 N 0.17 0.00 -0.72 0.00 2.07 1.17 0.46 116.25 119.40 1gpx h VAL 28 Ca 0.43 0.00 0.16 0.00 0.82 0.00 0.00 66.70 68.11 1gpx h VAL 28 Cb 0.76 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 30.41 1gpx h VAL 28 CO -0.61 0.00 0.09 0.28 0.02 0.00 0.00 177.57 177.35 1gpx h SER 29 N -0.32 -0.17 0.07 0.57 0.02 0.38 2.30 113.55 116.40 1gpx h SER 29 Ca 0.04 0.17 0.00 0.00 -0.84 0.00 0.00 61.79 61.16 1gpx h SER 29 Cb 0.45 0.26 0.00 0.00 0.14 0.00 0.00 62.40 63.25 1gpx h SER 29 CO -0.40 -0.11 0.00 0.59 -1.14 0.00 0.00 176.83 175.77 1gpx n ASN 30 N -5.25 0.00 0.00 3.07 3.02 0.67 -4.77 115.26 112.01 1gpx n ASN 30 Ca 0.13 -0.11 0.00 0.00 -0.03 0.00 0.00 54.58 54.57 1gpx n ASN 30 Cb 0.45 -0.12 0.00 0.00 -0.61 0.00 0.00 39.78 39.50 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 -0.45 2.45 0.53 7.41 0.00 0.78 -4.85 105.19 111.06 1gpx n GLY 31 Ca 0.06 0.00 0.40 0.00 0.00 0.00 0.00 46.02 46.48 1gpx n GLY 31 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1gpx h ILE 32 N 0.00 0.14 -2.30 -0.61 2.04 -0.39 -1.20 117.51 115.19 1gpx h ILE 32 Ca 0.00 -0.02 -0.69 0.00 1.00 0.00 0.00 64.86 65.15 1gpx h ILE 32 Cb 0.00 0.06 -0.35 0.00 -0.74 0.00 0.00 36.82 35.79 1gpx h ILE 32 CO 0.00 0.01 0.09 -1.22 0.00 0.00 0.00 178.15 177.03 1gpx n TYR 33 N -4.46 3.44 -0.87 1.37 4.01 -1.25 -4.85 117.16 114.55 1gpx n TYR 33 Ca 0.37 -3.38 -0.10 0.00 -0.16 0.00 0.00 57.90 54.64 1gpx n TYR 33 Cb 1.53 -0.81 -0.14 0.00 -0.31 0.00 0.00 39.34 39.61 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 -0.02 4.87 -0.33 7.72 5.75 -0.46 -4.79 116.55 129.28 1gpx n ASP 34 Ca 0.37 -2.40 0.00 0.00 -0.01 0.00 0.00 54.79 52.75 1gpx n ASP 34 Cb 0.34 -1.28 0.00 0.00 -1.03 0.00 0.00 41.12 39.14 1gpx n ASP 34 CO 0.00 0.00 0.00 2.30 -0.11 0.00 0.00 177.20 179.39 1gpx n ILE 35 N 2.42 0.00 -1.19 2.12 -5.35 -1.26 -5.10 119.36 111.00 1gpx n ILE 35 Ca 0.35 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.83 1gpx n ILE 35 Cb 0.81 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 38.71 1gpx n ILE 35 CO 0.00 0.00 0.00 1.33 -1.76 0.00 0.00 176.55 176.12 1gpx n VAL 36 N 0.00 0.00 -3.89 7.28 0.24 -1.26 -5.05 118.33 115.65 1gpx n VAL 36 Ca 0.00 0.00 -0.28 0.00 -2.04 0.00 0.00 64.34 62.02 1gpx n VAL 36 Cb 0.00 -1.08 -0.12 0.00 -1.47 0.00 0.00 33.84 31.17 1gpx n VAL 36 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1gpx n GLY 37 N 5.00 4.05 1.01 7.63 0.00 -1.26 -4.86 105.19 116.77 1gpx n GLY 37 Ca 0.00 -2.60 0.00 0.00 0.00 0.00 0.00 46.02 43.42 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 1.92 0.09 0.06 1.61 8.00 -1.26 -4.82 116.55 122.15 1gpx n ASP 38 Ca 0.20 0.01 -0.04 0.00 0.71 0.00 0.00 54.79 55.67 1gpx n ASP 38 Cb 0.35 -0.03 0.17 0.00 -0.02 0.00 0.00 41.12 41.59 1gpx n ASP 38 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1gpx n GLY 40 N -0.03 -0.48 1.79 0.00 0.00 -1.26 0.16 105.19 105.38 1gpx n GLY 40 Ca -0.02 0.04 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 -0.83 0.61 0.00 -0.02 0.00 -1.26 -4.93 105.19 98.75 1gpx n GLY 41 Ca -0.00 -0.80 0.00 0.00 0.00 0.00 0.00 46.02 45.22 1gpx n GLY 41 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1gpx n SER 42 N 1.79 0.00 -2.75 1.61 2.88 0.43 -5.03 113.62 112.55 1gpx n SER 42 Ca 0.00 -1.00 -0.11 0.00 -1.33 0.00 0.00 58.87 56.43 1gpx n SER 42 Cb 0.50 0.00 0.05 0.00 -0.75 0.00 0.00 64.21 64.01 1gpx n SER 42 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1gpx n ALA 43 N 0.00 -1.77 -2.21 -1.46 0.00 -0.60 -4.95 120.51 109.52 1gpx n ALA 43 Ca 0.00 0.05 0.03 0.00 0.00 0.00 0.00 53.44 53.52 1gpx n ALA 43 Cb 0.45 -3.52 0.08 0.00 0.00 0.00 0.00 19.45 16.46 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 -2.67 1.53 -4.66 0.00 2.88 -1.26 -4.91 113.62 104.53 1gpx n SER 44 Ca -0.10 -2.73 -0.28 0.00 -1.33 0.00 0.00 58.87 54.43 1gpx n SER 44 Cb 0.60 -0.39 -0.08 0.00 -0.75 0.00 0.00 64.21 63.58 1gpx n SER 44 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1gpx n ALA 46 N 0.12 2.80 -0.02 0.00 0.00 -1.26 -4.10 120.51 118.05 1gpx n ALA 46 Ca -0.10 -0.44 0.03 0.00 0.00 0.00 0.00 53.44 52.92 1gpx n ALA 46 Cb 0.54 -0.34 -0.08 0.00 0.00 0.00 0.00 19.45 19.57 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 -0.22 0.19 1.47 0.00 -2.24 -1.26 -4.13 114.28 108.09 1gpx n THR 47 Ca 0.04 -0.29 0.03 0.00 -2.27 0.00 0.00 64.05 61.56 1gpx n THR 47 Cb 0.21 -0.02 0.16 0.00 -2.10 0.00 0.00 70.33 68.58 1gpx n THR 47 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1gpx n HIS 49 N -0.62 1.86 -4.07 0.00 -0.00 -1.26 0.13 115.22 111.26 1gpx n HIS 49 Ca 0.04 0.91 -0.09 0.00 0.46 0.00 0.00 57.72 59.04 1gpx n HIS 49 Cb 0.02 -2.32 -0.09 0.00 -0.12 0.00 0.00 29.99 27.48 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 3.17 0.10 -0.21 3.57 -7.23 0.18 -4.25 120.40 115.74 1gpx s VAL 50 Ca 1.02 -1.69 -0.02 0.00 -1.81 0.00 0.00 61.98 59.48 1gpx s VAL 50 Cb -1.33 -1.91 0.01 0.00 0.56 0.00 0.00 36.38 33.71 1gpx s VAL 50 CO 0.75 -0.45 -0.10 -0.31 -0.31 0.00 0.00 175.10 174.69 1gpx s TYR 51 N -4.00 2.92 0.18 2.82 2.02 0.81 -0.65 117.35 121.44 1gpx s TYR 51 Ca 0.20 -1.26 -0.22 0.00 -0.37 0.00 0.00 57.07 55.41 1gpx s TYR 51 Cb 0.06 -2.04 -0.08 0.00 -0.40 0.00 0.00 41.96 39.50 1gpx s TYR 51 CO -0.00 -0.66 0.72 0.08 -1.57 0.00 0.00 175.55 174.12 1gpx s VAL 52 N 1.39 4.51 0.23 0.71 1.01 -1.26 -0.33 120.40 126.66 1gpx s VAL 52 Ca 0.05 1.46 -0.32 0.00 0.00 0.00 0.00 61.98 63.17 1gpx s VAL 52 Cb -0.14 -3.98 -0.12 0.00 0.00 0.00 0.00 36.38 32.13 1gpx s VAL 52 CO -0.07 0.39 1.66 -0.46 0.00 0.00 0.00 175.10 176.63 1gpx n ASN 53 N 1.24 3.82 -0.12 3.32 2.04 0.85 -4.65 115.26 121.76 1gpx n ASN 53 Ca -0.05 1.09 0.20 0.00 -0.44 0.00 0.00 54.58 55.38 1gpx n ASN 53 Cb 0.50 -1.56 0.31 0.00 -2.53 0.00 0.00 39.78 36.50 1gpx n ASN 53 CO 0.00 0.00 0.00 -1.84 -0.44 0.00 0.00 177.26 174.98 1gpx n GLU 54 N 3.34 0.01 -0.06 -3.83 0.28 -1.26 -0.47 120.64 118.65 1gpx n GLU 54 Ca 0.14 0.84 -0.15 0.00 -0.16 0.00 0.00 57.16 57.84 1gpx n GLU 54 Cb 0.35 -2.13 -0.06 0.00 1.43 0.00 0.00 31.44 31.03 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 0.37 0.34 -0.01 -1.84 0.00 -1.97 -3.19 119.26 112.96 1gpx h ALA 55 Ca 0.35 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1gpx h ALA 55 Cb 2.35 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 20.08 1gpx h ALA 55 CO -0.00 0.47 -0.32 1.19 0.00 0.00 0.00 179.25 180.59 1gpx n PHE 56 N -4.19 0.00 0.13 0.00 3.01 0.38 -3.90 117.46 112.89 1gpx n PHE 56 Ca -0.06 0.00 0.03 0.00 1.01 0.00 0.00 57.45 58.43 1gpx n PHE 56 Cb 0.56 -0.07 0.02 0.00 -0.01 0.00 0.00 39.48 39.98 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 1.78 0.78 0.00 4.37 1.35 -1.47 -2.56 112.91 117.16 1gpx h THR 57 Ca 0.00 -2.12 -0.26 0.00 -0.55 0.00 0.00 66.41 63.47 1gpx h THR 57 Cb 0.60 2.36 -0.04 0.00 -1.73 0.00 0.00 68.15 69.34 1gpx h THR 57 CO 0.00 0.44 -1.43 -2.24 -0.25 0.00 0.00 175.52 172.04 1gpx h ASP 58 N 0.00 0.01 0.00 5.36 3.04 -1.67 -3.37 116.42 119.80 1gpx h ASP 58 Ca -0.02 -0.02 -0.00 0.00 -3.24 0.00 0.00 57.03 53.75 1gpx h ASP 58 Cb 1.38 -0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.67 1gpx h ASP 58 CO 0.06 1.02 -0.00 0.11 -2.04 0.00 0.00 179.24 178.39 1gpx h LYS 59 N 0.00 -0.00 -5.92 4.15 1.79 -1.69 -3.47 116.57 111.44 1gpx h LYS 59 Ca -0.18 0.00 -0.53 0.00 -2.18 0.00 0.00 60.65 57.77 1gpx h LYS 59 Cb 1.92 0.00 0.24 0.00 -1.58 0.00 0.00 32.23 32.81 1gpx h LYS 59 CO 0.10 0.98 -2.10 1.33 -1.08 0.00 0.00 179.45 178.69 1gpx n VAL 60 N -4.62 0.00 -1.04 0.50 0.24 -0.96 -4.89 118.33 107.56 1gpx n VAL 60 Ca -0.10 -0.35 -0.29 0.00 -2.04 0.00 0.00 64.34 61.56 1gpx n VAL 60 Cb 0.47 0.00 0.17 0.00 -1.47 0.00 0.00 33.84 33.01 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 -1.97 0.63 -0.35 7.34 0.04 -1.26 -4.95 135.00 134.47 1gpx s PRO 61 Ca 0.38 0.81 -0.28 0.00 0.04 0.00 0.00 61.00 61.95 1gpx s PRO 61 Cb -0.09 -1.74 0.02 0.00 0.04 0.00 0.00 34.50 32.73 1gpx s PRO 61 CO 0.77 -2.67 1.05 0.00 0.04 0.00 0.00 177.00 176.20 1gpx s ALA 62 N -2.83 3.43 0.47 8.56 0.00 -1.26 -5.00 121.76 125.13 1gpx s ALA 62 Ca 0.65 -0.19 -0.23 0.00 0.00 0.00 0.00 51.96 52.19 1gpx s ALA 62 Cb -0.20 -3.68 -0.07 0.00 0.00 0.00 0.00 23.12 19.18 1gpx s ALA 62 CO 0.59 -1.61 1.17 0.00 0.00 0.00 0.00 175.76 175.90 1gpx s ALA 63 N 3.72 2.95 0.49 0.00 0.00 -1.26 -5.03 121.76 122.63 1gpx s ALA 63 Ca 0.44 0.94 0.09 0.00 0.00 0.00 0.00 51.96 53.43 1gpx s ALA 63 Cb -0.11 -3.39 0.05 0.00 0.00 0.00 0.00 23.12 19.67 1gpx s ALA 63 CO 0.18 -0.69 0.68 0.54 0.00 0.00 0.00 175.76 176.47 1gpx s ASN 64 N -1.37 5.39 0.56 0.00 2.20 -1.26 -4.89 114.94 115.57 1gpx s ASN 64 Ca 0.64 -0.61 0.42 0.00 -0.94 0.00 0.00 52.86 52.37 1gpx s ASN 64 Cb -0.29 -0.22 1.57 0.00 -2.00 0.00 0.00 41.25 40.32 1gpx s ASN 64 CO 0.35 -1.04 1.63 1.05 -2.94 0.00 0.00 177.10 176.15 1gpx h GLU 65 N 0.41 0.00 0.00 3.55 -0.00 -2.01 1.46 114.58 117.99 1gpx h GLU 65 Ca -0.35 0.00 -0.01 0.00 -0.00 0.00 0.00 59.36 59.00 1gpx h GLU 65 Cb 1.28 0.00 -0.00 0.00 -0.00 0.00 0.00 28.75 30.03 1gpx h GLU 65 CO 0.43 0.00 -0.03 -0.09 -0.00 0.00 0.00 179.01 179.32 1gpx h ARG 66 N 0.00 0.00 -0.14 1.06 2.43 -1.97 -0.14 114.38 115.62 1gpx h ARG 66 Ca 0.73 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.90 1gpx h ARG 66 Cb 3.06 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 32.61 1gpx h ARG 66 CO -0.01 0.03 0.00 -1.91 -1.51 0.00 0.00 179.97 176.58 1gpx n GLU 67 N -3.26 2.12 -0.06 0.20 0.00 0.50 -3.81 120.64 116.33 1gpx n GLU 67 Ca -0.01 -1.65 -0.04 0.00 0.00 0.00 0.00 57.16 55.45 1gpx n GLU 67 Cb 0.19 -1.47 -0.01 0.00 0.00 0.00 0.00 31.44 30.15 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 0.94 1.18 -0.03 6.31 -0.00 -0.07 -3.77 119.36 123.92 1gpx n ILE 68 Ca 0.17 0.26 -0.14 0.00 -0.00 0.00 0.00 62.75 63.04 1gpx n ILE 68 Cb 0.50 -2.23 -0.10 0.00 -0.00 0.00 0.00 39.64 37.81 1gpx n ILE 68 CO 0.00 0.00 0.00 1.23 -0.00 0.00 0.00 176.55 177.78 1gpx h GLY 69 N -0.82 0.13 -0.14 7.39 0.00 -1.77 0.70 103.07 108.56 1gpx h GLY 69 Ca 0.00 -0.18 0.12 0.00 0.00 0.00 0.00 47.33 47.27 1gpx h GLY 69 CO 0.00 0.16 -0.09 1.98 0.00 0.00 0.00 176.54 178.60 1gpx h MET 70 N -0.48 0.04 -0.07 4.80 -1.53 -1.82 0.78 114.93 116.65 1gpx h MET 70 Ca -0.01 -0.00 -0.15 0.00 -3.44 0.00 0.00 59.70 56.10 1gpx h MET 70 Cb 0.77 -0.01 -0.01 0.00 -0.55 0.00 0.00 31.60 31.80 1gpx h MET 70 CO 0.02 0.03 -0.63 1.25 0.14 0.00 0.00 176.91 177.72 1gpx h LEU 71 N 0.04 0.29 -0.81 3.39 6.46 -1.64 -2.70 115.31 120.34 1gpx h LEU 71 Ca 0.30 -0.18 0.00 0.00 -0.12 0.00 0.00 57.88 57.88 1gpx h LEU 71 Cb 0.47 -0.09 0.00 0.00 -0.73 0.00 0.00 40.66 40.32 1gpx h LEU 71 CO -0.58 0.85 0.00 1.21 -0.62 0.00 0.00 178.44 179.30 1gpx n GLU 72 N -3.86 1.51 -0.19 1.25 2.13 0.24 -4.17 120.64 117.57 1gpx n GLU 72 Ca -0.03 -0.79 -0.01 0.00 0.66 0.00 0.00 57.16 56.99 1gpx n GLU 72 Cb 0.64 -1.22 0.06 0.00 0.27 0.00 0.00 31.44 31.19 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 -6.20 4.91 -0.70 0.00 -7.23 -1.26 -4.93 120.40 104.98 1gpx s VAL 74 Ca -0.14 0.71 -0.14 0.00 -1.81 0.00 0.00 61.98 60.60 1gpx s VAL 74 Cb 0.18 -4.04 -0.18 0.00 0.56 0.00 0.00 36.38 32.89 1gpx s VAL 74 CO 0.73 -0.24 1.90 1.07 -0.31 0.00 0.00 175.10 178.25 1gpx n THR 75 N 5.51 0.00 -1.79 5.32 5.66 -1.25 -4.64 114.28 123.09 1gpx n THR 75 Ca -0.01 -0.40 -0.16 0.00 -3.05 0.00 0.00 64.05 60.44 1gpx n THR 75 Cb 0.49 -0.88 0.09 0.00 -1.55 0.00 0.00 70.33 68.48 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 11.34 4.75 -4.21 1.79 0.00 -1.26 -4.83 120.51 128.10 1gpx n ALA 76 Ca 0.39 -3.57 -0.34 0.00 0.00 0.00 0.00 53.44 49.93 1gpx n ALA 76 Cb 0.37 -0.52 -0.07 0.00 0.00 0.00 0.00 19.45 19.24 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 -0.88 -0.76 0.00 0.00 0.28 -1.26 -4.47 120.64 113.55 1gpx n GLU 77 Ca 0.39 0.07 0.00 0.00 -0.16 0.00 0.00 57.16 57.46 1gpx n GLU 77 Cb 0.89 -3.15 0.00 0.00 1.43 0.00 0.00 31.44 30.61 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 -4.58 0.00 0.00 -1.84 7.94 -1.26 -4.90 117.00 112.35 1gpx n LEU 78 Ca -0.26 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.64 1gpx n LEU 78 Cb 0.64 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.59 1gpx n LEU 78 CO 0.79 0.00 0.00 0.29 -1.11 0.00 0.00 177.39 177.36 1gpx n LYS 79 N 0.00 0.41 0.10 1.96 5.02 -1.26 -4.94 118.16 119.44 1gpx n LYS 79 Ca 0.00 0.00 -0.02 0.00 -2.02 0.00 0.00 58.31 56.27 1gpx n LYS 79 Cb 0.00 0.00 -0.04 0.00 -0.02 0.00 0.00 35.03 34.97 1gpx n LYS 79 CO 0.00 0.00 0.00 -1.00 -0.52 0.00 0.00 177.40 175.88 1gpx h PRO 80 N 0.00 0.00 -0.01 1.97 0.13 -2.01 -3.30 132.00 128.78 1gpx h PRO 80 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1gpx h PRO 80 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1gpx h PRO 80 CO 0.00 0.68 -0.34 0.27 -0.23 0.00 0.00 178.00 178.38 1gpx n ASN 81 N -3.24 1.33 -4.41 1.44 0.23 -1.26 -5.02 115.26 104.33 1gpx n ASN 81 Ca -0.00 -1.17 -0.37 0.00 -0.53 0.00 0.00 54.58 52.52 1gpx n ASN 81 Cb 0.83 0.56 0.06 0.00 -2.08 0.00 0.00 39.78 39.15 1gpx n ASN 81 CO 0.00 0.00 0.00 -1.20 -0.93 0.00 0.00 177.26 175.13 1gpx n SER 82 N -0.36 -1.78 -3.61 0.53 7.64 -1.25 -4.13 113.62 110.66 1gpx n SER 82 Ca 0.05 0.59 -0.05 0.00 1.01 0.00 0.00 58.87 60.47 1gpx n SER 82 Cb 0.28 -1.14 -0.04 0.00 -1.01 0.00 0.00 64.21 62.30 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 -2.44 0.28 0.23 1.43 0.52 0.17 -4.91 118.95 114.23 1gpx s ARG 83 Ca 0.63 0.01 -0.30 0.00 -0.52 0.00 0.00 55.73 55.55 1gpx s ARG 83 Cb -0.36 0.13 -0.09 0.00 0.52 0.00 0.00 34.95 35.15 1gpx s ARG 83 CO 0.60 -0.10 1.11 -0.51 0.02 0.00 0.00 175.30 176.42 1gpx s LEU 84 N -1.42 4.51 0.63 2.53 1.43 -1.26 0.51 118.68 125.61 1gpx s LEU 84 Ca 0.06 2.19 0.11 0.00 -1.03 0.00 0.00 54.13 55.46 1gpx s LEU 84 Cb -0.01 -3.61 0.36 0.00 0.03 0.00 0.00 46.19 42.96 1gpx s LEU 84 CO -0.04 -0.20 1.10 -1.54 0.23 0.00 0.00 176.35 175.89 1gpx n SER 85 N 1.85 0.00 -2.34 2.29 3.41 0.12 -1.98 113.62 116.97 1gpx n SER 85 Ca 0.01 0.59 -0.30 0.00 -0.26 0.00 0.00 58.87 58.91 1gpx n SER 85 Cb 0.45 -0.10 0.04 0.00 -0.26 0.00 0.00 64.21 64.34 1gpx n SER 85 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1gpx n GLN 87 N -0.70 1.67 -3.13 0.00 -0.00 -0.84 -1.56 117.38 112.83 1gpx n GLN 87 Ca 0.50 0.00 -0.34 0.00 -0.00 0.00 0.00 57.00 57.17 1gpx n GLN 87 Cb 0.70 -0.81 -0.06 0.00 -0.00 0.00 0.00 30.24 30.07 1gpx n GLN 87 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.06 177.48 1gpx s ILE 88 N -1.62 4.64 0.20 -0.39 1.01 -1.26 -4.98 121.20 118.80 1gpx s ILE 88 Ca 0.00 1.05 0.08 0.00 0.00 0.00 0.00 60.65 61.78 1gpx s ILE 88 Cb 0.00 -3.68 -0.04 0.00 0.01 0.00 0.00 42.46 38.75 1gpx s ILE 88 CO 0.00 -0.07 -0.00 -0.63 0.00 0.00 0.00 174.94 174.24 1gpx s ILE 89 N -1.85 3.64 -0.17 2.92 -1.09 -1.26 -3.64 121.20 119.76 1gpx s ILE 89 Ca 0.51 -1.55 -0.04 0.00 -2.23 0.00 0.00 60.65 57.33 1gpx s ILE 89 Cb -0.12 -2.86 -0.03 0.00 -1.58 0.00 0.00 42.46 37.87 1gpx s ILE 89 CO 0.18 -0.18 -0.02 -0.32 -1.23 0.00 0.00 174.94 173.38 1gpx s MET 90 N -3.13 3.69 0.44 2.79 -2.45 0.14 -4.72 119.30 116.06 1gpx s MET 90 Ca 0.28 -0.50 0.05 0.00 -1.25 0.00 0.00 55.69 54.27 1gpx s MET 90 Cb -0.09 -2.99 0.01 0.00 1.25 0.00 0.00 34.83 33.02 1gpx s MET 90 CO 0.19 0.19 0.61 0.95 1.05 0.00 0.00 175.02 178.01 1gpx s THR 91 N 0.52 3.37 -1.93 10.11 -4.23 -1.26 -3.27 115.64 118.96 1gpx s THR 91 Ca -0.02 -0.83 0.17 0.00 -1.18 0.00 0.00 61.69 59.83 1gpx s THR 91 Cb -0.14 -3.19 0.46 0.00 1.34 0.00 0.00 72.50 70.96 1gpx s THR 91 CO 0.02 -0.10 1.42 -0.81 -0.54 0.00 0.00 174.62 174.61 1gpx n PRO 92 N -1.96 0.49 -0.06 3.99 -0.04 -1.26 -3.23 135.00 132.92 1gpx n PRO 92 Ca 0.05 0.02 -0.09 0.00 -0.04 0.00 0.00 63.50 63.43 1gpx n PRO 92 Cb 0.59 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.49 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 -1.04 0.31 -0.87 0.54 -0.00 -1.26 -4.71 120.64 113.62 1gpx n GLU 93 Ca 0.12 0.08 -0.24 0.00 -0.00 0.00 0.00 57.16 57.11 1gpx n GLU 93 Cb 0.07 -1.23 -0.03 0.00 -0.00 0.00 0.00 31.44 30.24 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 -2.92 5.71 -4.89 -1.84 4.77 -1.20 -4.90 117.00 111.73 1gpx n LEU 94 Ca -0.23 -3.19 -0.33 0.00 -0.03 0.00 0.00 56.01 52.24 1gpx n LEU 94 Cb 0.73 -1.19 -0.05 0.00 -2.33 0.00 0.00 43.42 40.58 1gpx n LEU 94 CO 0.12 1.02 -0.17 -0.62 -1.33 0.00 0.00 177.39 176.41 1gpx s ASP 95 N 2.98 6.26 0.00 -1.43 -1.08 -1.26 -4.41 116.67 117.73 1gpx s ASP 95 Ca 0.48 0.30 0.00 0.00 -0.52 0.00 0.00 52.55 52.81 1gpx s ASP 95 Cb 0.13 -1.94 0.00 0.00 -1.46 0.00 0.00 42.92 39.66 1gpx s ASP 95 CO -0.04 0.25 0.00 0.61 0.52 0.00 0.00 175.17 176.52 1gpx n GLY 96 N 0.90 1.28 3.74 2.66 0.00 0.40 -4.73 105.19 109.44 1gpx n GLY 96 Ca -0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.51 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 3.53 -0.20 -0.61 1.10 0.10 -4.87 121.20 118.25 1gpx s ILE 97 Ca 0.00 1.36 -0.04 0.00 -0.51 0.00 0.00 60.65 61.46 1gpx s ILE 97 Cb 0.00 -3.86 -0.01 0.00 0.15 0.00 0.00 42.46 38.73 1gpx s ILE 97 CO 0.00 0.25 -0.04 -0.69 -2.11 0.00 0.00 174.94 172.35 1gpx s VAL 98 N -0.39 3.55 0.40 4.00 1.01 -1.26 0.10 120.40 127.81 1gpx s VAL 98 Ca 0.50 -0.45 0.08 0.00 0.00 0.00 0.00 61.98 62.11 1gpx s VAL 98 Cb -0.33 -2.60 -0.01 0.00 0.00 0.00 0.00 36.38 33.45 1gpx s VAL 98 CO 0.38 0.44 0.43 -0.69 0.00 0.00 0.00 175.10 175.66 1gpx s VAL 99 N 1.18 2.96 -0.27 2.92 1.01 0.70 -0.11 120.40 128.79 1gpx s VAL 99 Ca 0.02 -1.22 -0.24 0.00 0.00 0.00 0.00 61.98 60.54 1gpx s VAL 99 Cb -0.14 -3.05 0.08 0.00 0.00 0.00 0.00 36.38 33.27 1gpx s VAL 99 CO -0.00 -0.03 0.79 -1.81 0.00 0.00 0.00 175.10 174.05 1gpx s ASP 100 N -4.18 -0.69 -0.02 3.32 1.11 0.55 -1.36 116.67 115.38 1gpx s ASP 100 Ca 0.49 1.31 -0.18 0.00 0.18 0.00 0.00 52.55 54.34 1gpx s ASP 100 Cb -0.06 1.32 -0.05 0.00 1.07 0.00 0.00 42.92 45.20 1gpx s ASP 100 CO 0.29 -0.22 0.52 -0.69 1.18 0.00 0.00 175.17 176.25 1gpx s VAL 101 N 0.48 4.99 0.07 -1.27 1.01 0.34 0.28 120.40 126.30 1gpx s VAL 101 Ca -0.00 1.07 -0.31 0.00 0.00 0.00 0.00 61.98 62.74 1gpx s VAL 101 Cb -0.05 -3.85 -0.08 0.00 0.00 0.00 0.00 36.38 32.40 1gpx s VAL 101 CO -0.03 0.45 1.53 -2.16 0.00 0.00 0.00 175.10 174.89 1gpx s PRO 102 N -0.28 4.24 -0.36 2.72 0.04 -1.26 -3.70 135.00 136.40 1gpx s PRO 102 Ca 0.28 2.20 0.08 0.00 0.04 0.00 0.00 61.00 63.60 1gpx s PRO 102 Cb -0.17 -3.48 0.66 0.00 0.04 0.00 0.00 34.50 31.55 1gpx s PRO 102 CO 0.15 -0.63 1.76 -0.40 0.04 0.00 0.00 177.00 177.92 1gpx n ASP 103 N 5.06 3.87 0.29 6.66 5.75 -1.26 -4.62 116.55 132.30 1gpx n ASP 103 Ca 0.14 -3.48 0.09 0.00 -0.01 0.00 0.00 54.79 51.54 1gpx n ASP 103 Cb 0.41 -0.75 0.50 0.00 -1.03 0.00 0.00 41.12 40.26 1gpx n ASP 103 CO 0.00 0.00 0.00 -0.09 -0.11 0.00 0.00 177.20 177.00 1gpx h ARG 104 N 1.62 0.00 0.00 0.11 1.12 -1.92 0.34 114.38 115.65 1gpx h ARG 104 Ca 0.39 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 59.26 1gpx h ARG 104 Cb 2.36 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 32.32 1gpx h ARG 104 CO 0.78 0.00 0.00 0.00 -3.11 0.00 0.00 179.97 177.64 1gpx n GLN 105 N -2.57 0.80 0.00 0.20 10.64 -1.26 -5.03 117.38 120.15 1gpx n GLN 105 Ca -0.01 0.00 0.09 0.00 -1.83 0.00 0.00 57.00 55.25 1gpx n GLN 105 Cb 0.52 -1.42 0.08 0.00 -0.86 0.00 0.00 30.24 28.56 1gpx n GLN 105 CO 0.00 0.00 0.00 1.87 -1.83 0.00 0.00 177.06 177.10