#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 4.61 -0.01 4.33 2.20 -1.26 -1.08 119.74 128.53 1gpx s LYS 2 Ca 0.00 1.65 0.07 0.00 -0.36 0.00 0.00 55.97 57.33 1gpx s LYS 2 Cb 0.00 -3.31 -0.02 0.00 -1.51 0.00 0.00 37.83 32.99 1gpx s LYS 2 CO 0.00 0.09 -0.22 0.08 -0.36 0.00 0.00 175.35 174.94 1gpx s VAL 3 N -0.09 1.71 -0.19 4.02 1.01 -0.14 -1.91 120.40 124.81 1gpx s VAL 3 Ca 0.49 -0.95 0.01 0.00 0.00 0.00 0.00 61.98 61.54 1gpx s VAL 3 Cb -0.28 -1.42 0.03 0.00 0.00 0.00 0.00 36.38 34.71 1gpx s VAL 3 CO 0.33 0.46 -0.16 -0.69 0.00 0.00 0.00 175.10 175.04 1gpx s VAL 4 N -0.53 1.92 -0.12 2.92 1.01 -0.22 0.13 120.40 125.51 1gpx s VAL 4 Ca 0.08 -0.98 -0.11 0.00 0.00 0.00 0.00 61.98 60.97 1gpx s VAL 4 Cb -0.08 -1.82 -0.05 0.00 0.00 0.00 0.00 36.38 34.43 1gpx s VAL 4 CO -0.01 0.40 0.24 -0.31 0.00 0.00 0.00 175.10 175.42 1gpx s TYR 5 N 1.32 3.55 0.19 5.22 2.02 -1.20 0.25 117.35 128.71 1gpx s TYR 5 Ca 0.02 0.60 0.11 0.00 -0.37 0.00 0.00 57.07 57.44 1gpx s TYR 5 Cb -0.14 -2.17 -0.04 0.00 -0.40 0.00 0.00 41.96 39.21 1gpx s TYR 5 CO -0.11 0.49 -0.24 0.08 -1.57 0.00 0.00 175.55 174.20 1gpx s VAL 6 N -0.34 2.34 -0.05 0.71 1.01 0.15 0.25 120.40 124.48 1gpx s VAL 6 Ca 0.16 -2.02 0.05 0.00 0.00 0.00 0.00 61.98 60.17 1gpx s VAL 6 Cb -0.13 -2.12 -0.02 0.00 0.00 0.00 0.00 36.38 34.11 1gpx s VAL 6 CO 0.05 -0.11 -0.20 -0.94 0.00 0.00 0.00 175.10 173.90 1gpx s SER 7 N -2.65 3.54 0.61 3.32 1.04 0.76 0.90 113.70 121.23 1gpx s SER 7 Ca 0.20 -0.35 0.24 0.00 0.48 0.00 0.00 55.95 56.53 1gpx s SER 7 Cb -0.08 -0.72 1.01 0.00 0.10 0.00 0.00 66.02 66.33 1gpx s SER 7 CO 0.10 0.31 1.47 1.12 0.98 0.00 0.00 173.24 177.22 1gpx h HIS 8 N 5.59 0.00 -0.00 5.02 2.07 -1.82 2.63 115.15 128.63 1gpx h HIS 8 Ca -0.42 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.10 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 0.45 0.00 -0.15 -0.40 -3.07 0.00 0.00 177.93 174.76 1gpx n ASP 9 N -3.24 0.46 0.00 3.10 5.68 -1.26 -4.93 116.55 116.35 1gpx n ASP 9 Ca 0.14 -0.45 0.00 0.00 -0.50 0.00 0.00 54.79 53.98 1gpx n ASP 9 Cb 1.15 -0.07 0.00 0.00 -1.14 0.00 0.00 41.12 41.05 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 1.33 3.15 3.66 6.12 0.00 0.88 -5.04 105.19 115.28 1gpx n GLY 10 Ca 0.13 -0.94 -0.53 0.00 0.00 0.00 0.00 46.02 44.67 1gpx n GLY 10 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1gpx n THR 11 N 0.00 0.21 -4.21 2.61 5.66 -1.26 -4.16 114.28 113.13 1gpx n THR 11 Ca 0.00 -0.04 -0.25 0.00 -3.05 0.00 0.00 64.05 60.71 1gpx n THR 11 Cb 0.00 -1.20 -0.07 0.00 -1.55 0.00 0.00 70.33 67.51 1gpx n THR 11 CO 0.00 0.00 0.00 -0.13 -3.05 0.00 0.00 175.07 171.89 1gpx s ARG 12 N 2.30 2.49 -0.45 1.09 0.52 -1.25 -0.17 118.95 123.47 1gpx s ARG 12 Ca 0.91 -1.17 0.08 0.00 -0.52 0.00 0.00 55.73 55.03 1gpx s ARG 12 Cb -0.94 -2.35 0.27 0.00 0.52 0.00 0.00 34.95 32.45 1gpx s ARG 12 CO 0.55 0.42 0.63 2.89 0.02 0.00 0.00 175.30 179.81 1gpx n ARG 13 N -0.50 1.27 -2.20 3.54 1.85 0.70 -4.90 116.66 116.43 1gpx n ARG 13 Ca -0.08 -3.64 -0.42 0.00 -1.00 0.00 0.00 57.85 52.71 1gpx n ARG 13 Cb 0.57 -1.57 -0.03 0.00 -1.05 0.00 0.00 32.46 30.38 1gpx n ARG 13 CO 0.00 0.00 0.00 -1.21 -0.01 0.00 0.00 177.63 176.41 1gpx s GLU 14 N -1.79 4.35 0.46 2.89 8.01 -1.26 -3.23 118.70 128.14 1gpx s GLU 14 Ca 0.38 2.05 0.06 0.00 0.01 0.00 0.00 54.97 57.47 1gpx s GLU 14 Cb 0.20 -3.23 -0.03 0.00 -4.31 0.00 0.00 34.13 26.76 1gpx s GLU 14 CO -0.09 -0.37 0.18 -0.51 0.01 0.00 0.00 175.26 174.48 1gpx s LEU 15 N 0.69 2.84 -0.81 1.80 1.02 0.34 -4.85 118.68 119.71 1gpx s LEU 15 Ca 0.62 -1.26 -0.14 0.00 0.02 0.00 0.00 54.13 53.37 1gpx s LEU 15 Cb -0.36 -1.20 0.21 0.00 0.02 0.00 0.00 46.19 44.86 1gpx s LEU 15 CO 0.33 -0.72 0.76 -0.62 0.02 0.00 0.00 176.35 176.12 1gpx s ASP 16 N -3.96 6.72 0.39 2.29 2.15 -1.26 -0.96 116.67 122.03 1gpx s ASP 16 Ca 0.32 -2.62 0.06 0.00 0.43 0.00 0.00 52.55 50.74 1gpx s ASP 16 Cb 0.03 -2.21 0.00 0.00 -0.30 0.00 0.00 42.92 40.43 1gpx s ASP 16 CO 0.18 -0.60 0.55 -0.69 -0.17 0.00 0.00 175.17 174.44 1gpx s VAL 17 N 0.31 3.65 0.00 1.11 1.01 -0.24 -4.94 120.40 121.29 1gpx s VAL 17 Ca 0.17 -0.91 0.00 0.00 0.00 0.00 0.00 61.98 61.25 1gpx s VAL 17 Cb -0.11 -3.27 0.00 0.00 0.00 0.00 0.00 36.38 33.00 1gpx s VAL 17 CO -0.08 -0.12 0.00 0.00 0.00 0.00 0.00 175.10 174.90 1gpx n ALA 18 N -1.81 0.00 -2.67 5.51 0.00 -1.25 0.25 120.51 120.54 1gpx n ALA 18 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.05 1gpx n ALA 18 Cb 0.58 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.00 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 0.85 7.07 0.00 0.00 1.47 -1.20 -3.40 116.67 121.46 1gpx s ASP 19 Ca 0.00 1.32 0.00 0.00 1.18 0.00 0.00 52.55 55.05 1gpx s ASP 19 Cb 0.00 -2.50 0.00 0.00 -0.34 0.00 0.00 42.92 40.08 1gpx s ASP 19 CO 0.00 -0.45 0.00 0.61 0.68 0.00 0.00 175.17 176.01 1gpx n GLY 20 N 3.32 0.66 3.89 2.12 0.00 -1.05 -5.00 105.19 109.12 1gpx n GLY 20 Ca 0.07 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.88 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 2.67 0.48 1.61 1.01 -1.22 -4.88 120.40 118.07 1gpx s VAL 21 Ca 0.00 -1.31 0.03 0.00 0.00 0.00 0.00 61.98 60.69 1gpx s VAL 21 Cb 0.00 -2.98 -0.03 0.00 0.00 0.00 0.00 36.38 33.37 1gpx s VAL 21 CO 0.00 0.00 0.01 -0.94 0.00 0.00 0.00 175.10 174.17 1gpx s SER 22 N -4.16 3.98 0.00 3.32 1.04 -1.26 0.31 113.70 116.94 1gpx s SER 22 Ca 0.49 -1.57 0.25 0.00 0.48 0.00 0.00 55.95 55.59 1gpx s SER 22 Cb -0.04 0.26 1.34 0.00 0.10 0.00 0.00 66.02 67.69 1gpx s SER 22 CO 0.28 -0.74 1.84 0.18 0.98 0.00 0.00 173.24 175.79 1gpx n LEU 23 N -1.16 0.00 0.00 2.42 4.32 -1.19 -3.89 117.00 117.50 1gpx n LEU 23 Ca -0.15 0.18 0.00 0.00 -0.02 0.00 0.00 56.01 56.03 1gpx n LEU 23 Cb 0.67 -0.18 0.00 0.00 -1.62 0.00 0.00 43.42 42.29 1gpx n LEU 23 CO 0.41 -0.04 0.00 0.80 -1.22 0.00 0.00 177.39 177.35 1gpx n MET 24 N -1.18 0.00 -0.01 3.23 0.00 -0.47 -3.06 117.12 115.63 1gpx n MET 24 Ca 0.14 0.05 0.16 0.00 -0.00 0.00 0.00 57.70 58.05 1gpx n MET 24 Cb 0.16 -0.33 0.24 0.00 0.00 0.00 0.00 33.22 33.28 1gpx n MET 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1gpx n GLN 25 N -1.34 0.02 -0.03 2.12 0.00 -1.26 0.36 117.38 117.26 1gpx n GLN 25 Ca 0.00 0.90 -0.21 0.00 0.00 0.00 0.00 57.00 57.69 1gpx n GLN 25 Cb 0.00 -2.30 -0.13 0.00 0.00 0.00 0.00 30.24 27.81 1gpx n GLN 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1gpx h ALA 26 N 0.29 0.25 -0.24 2.61 0.00 -1.76 -2.95 119.26 117.46 1gpx h ALA 26 Ca 0.28 -1.16 -0.04 0.00 0.00 0.00 0.00 54.91 53.99 1gpx h ALA 26 Cb 2.33 0.58 -0.01 0.00 0.00 0.00 0.00 17.79 20.69 1gpx h ALA 26 CO -0.00 0.85 -0.01 0.00 0.00 0.00 0.00 179.25 180.09 1gpx h ALA 27 N -0.15 0.32 -0.45 0.00 0.00 0.42 -1.70 119.26 117.70 1gpx h ALA 27 Ca -0.33 -0.22 0.06 0.00 0.00 0.00 0.00 54.91 54.43 1gpx h ALA 27 Cb 1.65 -0.09 -0.09 0.00 0.00 0.00 0.00 17.79 19.26 1gpx h ALA 27 CO -0.02 0.05 -0.50 0.28 0.00 0.00 0.00 179.25 179.07 1gpx h VAL 28 N 0.19 0.05 -0.60 0.00 2.07 0.63 0.60 116.25 119.20 1gpx h VAL 28 Ca 0.07 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.60 1gpx h VAL 28 Cb 0.42 0.05 -0.03 0.00 -1.52 0.00 0.00 31.29 30.21 1gpx h VAL 28 CO 0.01 0.00 0.40 0.28 0.02 0.00 0.00 177.57 178.28 1gpx h SER 29 N -0.34 0.66 0.00 0.57 0.02 -1.44 0.21 113.55 113.24 1gpx h SER 29 Ca 0.11 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.05 1gpx h SER 29 Cb 0.59 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 62.96 1gpx h SER 29 CO -0.62 0.48 0.00 0.59 -1.14 0.00 0.00 176.83 176.14 1gpx n ASN 30 N -4.45 0.14 0.00 3.07 3.02 0.17 -4.76 115.26 112.45 1gpx n ASN 30 Ca 0.06 -1.29 0.00 0.00 -0.03 0.00 0.00 54.58 53.32 1gpx n ASN 30 Cb 0.07 -0.07 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 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 0.15 0.38 0.24 7.41 0.00 0.72 -4.84 105.19 109.26 1gpx n GLY 31 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 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 1.26 -2.31 -0.61 2.04 -0.53 -3.29 117.51 114.07 1gpx h ILE 32 Ca 0.00 -1.08 -0.71 0.00 1.00 0.00 0.00 64.86 64.06 1gpx h ILE 32 Cb 0.25 1.05 -0.34 0.00 -0.74 0.00 0.00 36.82 37.04 1gpx h ILE 32 CO 0.00 0.37 0.28 -1.22 0.00 0.00 0.00 178.15 177.59 1gpx n TYR 33 N -4.35 3.29 -0.87 1.37 4.01 -1.23 -4.79 117.16 114.58 1gpx n TYR 33 Ca 0.00 -3.20 -0.12 0.00 -0.16 0.00 0.00 57.90 54.42 1gpx n TYR 33 Cb 0.32 -0.89 -0.03 0.00 -0.31 0.00 0.00 39.34 38.43 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 0.00 5.86 -1.85 7.72 5.75 -1.24 -4.82 116.55 127.96 1gpx n ASP 34 Ca 0.38 -2.75 0.00 0.00 -0.01 0.00 0.00 54.79 52.41 1gpx n ASP 34 Cb 0.32 -1.18 0.00 0.00 -1.03 0.00 0.00 41.12 39.24 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 1.23 0.00 -0.93 2.12 -5.35 -1.26 -5.10 119.36 110.07 1gpx n ILE 35 Ca 0.25 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.73 1gpx n ILE 35 Cb 0.61 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 38.51 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 -3.92 7.28 0.24 -1.26 -5.05 118.33 115.62 1gpx n VAL 36 Ca 0.00 0.00 -0.29 0.00 -2.04 0.00 0.00 64.34 62.01 1gpx n VAL 36 Cb 0.00 -0.72 -0.13 0.00 -1.47 0.00 0.00 33.84 31.52 1gpx n VAL 36 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1gpx s GLY 37 N -0.52 2.73 0.00 7.63 0.00 -1.26 -4.82 107.32 111.08 1gpx s GLY 37 Ca 0.00 -3.60 0.00 0.00 0.00 0.00 0.00 44.72 41.12 1gpx s GLY 37 CO 0.00 1.05 0.00 1.22 0.00 0.00 0.00 173.10 175.37 1gpx n ASP 38 N 2.46 4.44 -0.06 1.64 8.00 -1.26 -4.84 116.55 126.93 1gpx n ASP 38 Ca 0.13 0.00 -0.07 0.00 0.71 0.00 0.00 54.79 55.56 1gpx n ASP 38 Cb 0.34 0.23 -0.07 0.00 -0.02 0.00 0.00 41.12 41.61 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 2.71 -0.46 1.97 0.00 0.00 -1.26 0.29 105.19 108.44 1gpx n GLY 40 Ca -0.20 0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.89 0.39 0.00 -0.02 0.00 -1.26 -4.91 105.19 98.50 1gpx n GLY 41 Ca 0.04 -0.91 0.00 0.00 0.00 0.00 0.00 46.02 45.15 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 1.97 0.36 -1.91 1.61 7.64 0.82 -5.04 113.62 119.07 1gpx n SER 42 Ca 0.00 -0.74 -0.06 0.00 1.01 0.00 0.00 58.87 59.08 1gpx n SER 42 Cb 0.41 0.21 0.03 0.00 -1.01 0.00 0.00 64.21 63.85 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 -0.21 -0.80 -2.45 -0.43 0.00 -1.16 -4.97 120.51 110.49 1gpx n ALA 43 Ca 0.00 -0.01 -0.09 0.00 0.00 0.00 0.00 53.44 53.34 1gpx n ALA 43 Cb 0.07 -1.37 0.04 0.00 0.00 0.00 0.00 19.45 18.19 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 -1.82 2.81 -4.63 0.00 3.41 -1.24 -4.94 113.62 107.21 1gpx n SER 44 Ca -0.09 -2.76 -0.30 0.00 -0.26 0.00 0.00 58.87 55.46 1gpx n SER 44 Cb 0.56 -0.42 -0.09 0.00 -0.26 0.00 0.00 64.21 64.00 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 0.56 2.82 -0.01 0.00 0.00 -1.25 -4.07 120.51 118.55 1gpx n ALA 46 Ca -0.12 -0.45 0.04 0.00 0.00 0.00 0.00 53.44 52.91 1gpx n ALA 46 Cb 0.52 -0.36 -0.08 0.00 0.00 0.00 0.00 19.45 19.54 1gpx n ALA 46 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 1gpx n THR 47 N -0.20 0.10 1.38 0.00 5.66 -1.26 -3.28 114.28 116.67 1gpx n THR 47 Ca 0.04 -0.26 0.00 0.00 -3.05 0.00 0.00 64.05 60.78 1gpx n THR 47 Cb 0.22 0.11 0.00 0.00 -1.55 0.00 0.00 70.33 69.11 1gpx n THR 47 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1gpx n HIS 49 N -0.40 1.51 -4.03 0.00 -0.00 -1.26 -0.03 115.22 111.02 1gpx n HIS 49 Ca 0.00 0.87 -0.09 0.00 0.46 0.00 0.00 57.72 58.96 1gpx n HIS 49 Cb 0.03 -2.28 -0.09 0.00 -0.12 0.00 0.00 29.99 27.54 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 1.91 0.13 -0.15 3.57 -7.23 0.40 -4.46 120.40 114.56 1gpx s VAL 50 Ca 0.96 -1.61 0.01 0.00 -1.81 0.00 0.00 61.98 59.53 1gpx s VAL 50 Cb -1.22 -1.74 0.01 0.00 0.56 0.00 0.00 36.38 33.98 1gpx s VAL 50 CO 0.65 -0.57 -0.19 -0.31 -0.31 0.00 0.00 175.10 174.36 1gpx s TYR 51 N -3.96 2.73 0.35 2.82 2.02 0.27 -1.75 117.35 119.82 1gpx s TYR 51 Ca 0.15 -1.25 0.06 0.00 -0.37 0.00 0.00 57.07 55.66 1gpx s TYR 51 Cb 0.06 -1.86 -0.01 0.00 -0.40 0.00 0.00 41.96 39.75 1gpx s TYR 51 CO -0.04 -0.58 0.49 0.08 -1.57 0.00 0.00 175.55 173.93 1gpx s VAL 52 N 0.87 4.00 0.07 0.71 1.01 -1.26 0.27 120.40 126.07 1gpx s VAL 52 Ca -0.05 -0.97 -0.27 0.00 0.00 0.00 0.00 61.98 60.69 1gpx s VAL 52 Cb -0.15 -3.39 -0.06 0.00 0.00 0.00 0.00 36.38 32.79 1gpx s VAL 52 CO -0.02 -0.16 0.84 0.54 0.00 0.00 0.00 175.10 176.31 1gpx s ASN 53 N -4.19 7.33 0.53 3.32 2.20 -0.27 -4.75 114.94 119.11 1gpx s ASN 53 Ca 0.46 1.59 0.26 0.00 -0.94 0.00 0.00 52.86 54.22 1gpx s ASN 53 Cb -0.10 -2.52 0.89 0.00 -2.00 0.00 0.00 41.25 37.53 1gpx s ASN 53 CO 0.32 -0.02 1.17 -1.84 -2.94 0.00 0.00 177.10 173.79 1gpx n GLU 54 N 2.80 0.01 -0.09 3.55 0.28 -1.26 0.55 120.64 126.48 1gpx n GLU 54 Ca -0.01 0.91 -0.14 0.00 -0.16 0.00 0.00 57.16 57.76 1gpx n GLU 54 Cb 0.50 -2.23 -0.04 0.00 1.43 0.00 0.00 31.44 31.10 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 0.51 0.49 0.00 -1.84 0.00 -1.96 -2.89 119.26 113.57 1gpx h ALA 55 Ca 0.49 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1gpx h ALA 55 Cb 2.69 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 20.39 1gpx h ALA 55 CO -0.01 0.65 -1.66 1.19 0.00 0.00 0.00 179.25 179.43 1gpx n PHE 56 N -4.05 0.00 0.16 0.00 3.01 0.19 -4.03 117.46 112.74 1gpx n PHE 56 Ca -0.04 0.00 0.05 0.00 1.01 0.00 0.00 57.45 58.48 1gpx n PHE 56 Cb 0.59 -0.34 0.06 0.00 -0.01 0.00 0.00 39.48 39.78 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 0.57 0.00 4.37 1.35 -1.25 -2.82 112.91 115.14 1gpx h THR 57 Ca 0.00 -1.82 -0.10 0.00 -0.55 0.00 0.00 66.41 63.95 1gpx h THR 57 Cb 0.78 2.26 -0.01 0.00 -1.73 0.00 0.00 68.15 69.44 1gpx h THR 57 CO 0.00 0.33 -0.67 -2.24 -0.25 0.00 0.00 175.52 172.69 1gpx h ASP 58 N 0.00 0.00 0.02 5.36 2.03 -1.69 -3.34 116.42 118.81 1gpx h ASP 58 Ca -0.01 0.00 -0.03 0.00 -0.73 0.00 0.00 57.03 56.26 1gpx h ASP 58 Cb 1.27 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.77 1gpx h ASP 58 CO 0.04 0.41 -0.14 0.11 -1.03 0.00 0.00 179.24 178.63 1gpx h LYS 59 N 0.00 0.05 -6.20 4.15 1.79 -1.69 -3.46 116.57 111.21 1gpx h LYS 59 Ca -0.04 -0.09 -0.49 0.00 -2.18 0.00 0.00 60.65 57.85 1gpx h LYS 59 Cb 1.35 0.03 0.25 0.00 -1.58 0.00 0.00 32.23 32.28 1gpx h LYS 59 CO 0.05 1.04 -2.13 1.33 -1.08 0.00 0.00 179.45 178.65 1gpx n VAL 60 N -4.53 0.00 -0.71 0.50 0.24 -1.07 -4.88 118.33 107.89 1gpx n VAL 60 Ca -0.11 -0.15 -0.30 0.00 -2.04 0.00 0.00 64.34 61.75 1gpx n VAL 60 Cb 0.54 -0.18 0.20 0.00 -1.47 0.00 0.00 33.84 32.93 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 -2.43 0.22 -0.41 7.34 0.04 -1.26 -4.93 135.00 133.57 1gpx s PRO 61 Ca 0.42 1.14 -0.28 0.00 0.04 0.00 0.00 61.00 62.32 1gpx s PRO 61 Cb 0.00 -1.66 0.02 0.00 0.04 0.00 0.00 34.50 32.90 1gpx s PRO 61 CO 0.68 -3.05 1.08 0.00 0.04 0.00 0.00 177.00 175.76 1gpx s ALA 62 N -2.61 3.31 0.48 8.56 0.00 -1.26 -5.01 121.76 125.22 1gpx s ALA 62 Ca 0.67 -0.34 -0.22 0.00 0.00 0.00 0.00 51.96 52.07 1gpx s ALA 62 Cb -0.23 -3.77 -0.07 0.00 0.00 0.00 0.00 23.12 19.05 1gpx s ALA 62 CO 0.61 -1.91 1.16 0.00 0.00 0.00 0.00 175.76 175.62 1gpx s ALA 63 N 4.03 2.90 0.20 0.00 0.00 -1.26 -5.04 121.76 122.60 1gpx s ALA 63 Ca 0.46 0.91 0.03 0.00 0.00 0.00 0.00 51.96 53.36 1gpx s ALA 63 Cb -0.10 -3.38 0.03 0.00 0.00 0.00 0.00 23.12 19.68 1gpx s ALA 63 CO 0.24 -0.69 0.28 0.27 0.00 0.00 0.00 175.76 175.86 1gpx n ASN 64 N -0.69 0.74 0.07 0.00 0.23 -1.26 -4.90 115.26 109.45 1gpx n ASN 64 Ca 0.08 -1.54 0.21 0.00 -0.53 0.00 0.00 54.58 52.80 1gpx n ASN 64 Cb 0.49 -0.15 0.74 0.00 -2.08 0.00 0.00 39.78 38.78 1gpx n ASN 64 CO 0.00 0.00 0.00 1.05 -0.93 0.00 0.00 177.26 177.38 1gpx h GLU 65 N 0.00 0.00 0.00 -3.83 -0.00 -2.01 0.27 114.58 109.02 1gpx h GLU 65 Ca -0.09 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.27 1gpx h GLU 65 Cb 0.44 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.19 1gpx h GLU 65 CO 0.14 0.00 0.00 -0.09 -0.00 0.00 0.00 179.01 179.06 1gpx h ARG 66 N 0.00 0.00 -0.14 1.06 2.43 -1.97 -0.44 114.38 115.32 1gpx h ARG 66 Ca 0.21 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.38 1gpx h ARG 66 Cb 1.04 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.59 1gpx h ARG 66 CO -0.00 0.00 0.00 -1.91 -1.51 0.00 0.00 179.97 176.55 1gpx n GLU 67 N -2.79 2.39 -0.08 0.20 0.00 0.96 -3.89 120.64 117.44 1gpx n GLU 67 Ca -0.01 -2.04 -0.07 0.00 0.00 0.00 0.00 57.16 55.04 1gpx n GLU 67 Cb 0.16 -1.48 -0.03 0.00 0.00 0.00 0.00 31.44 30.10 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 1.40 1.44 -0.03 6.31 -0.00 -0.18 -3.80 119.36 124.50 1gpx n ILE 68 Ca 0.16 0.18 -0.15 0.00 -0.00 0.00 0.00 62.75 62.93 1gpx n ILE 68 Cb 0.60 -2.35 -0.12 0.00 -0.00 0.00 0.00 39.64 37.77 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 -1.00 0.17 -0.14 7.39 0.00 -1.79 0.43 103.07 108.13 1gpx h GLY 69 Ca -0.04 -0.32 0.11 0.00 0.00 0.00 0.00 47.33 47.08 1gpx h GLY 69 CO -0.02 0.28 -0.17 1.98 0.00 0.00 0.00 176.54 178.61 1gpx h MET 70 N -0.59 -0.04 -0.08 4.80 -1.53 -1.82 1.86 114.93 117.54 1gpx h MET 70 Ca -0.04 0.00 -0.13 0.00 -3.44 0.00 0.00 59.70 56.10 1gpx h MET 70 Cb 1.07 0.01 -0.01 0.00 -0.55 0.00 0.00 31.60 32.12 1gpx h MET 70 CO 0.05 -0.03 -0.53 1.25 0.14 0.00 0.00 176.91 177.79 1gpx h LEU 71 N -0.04 0.24 -0.87 3.39 6.46 -1.65 -2.76 115.31 120.07 1gpx h LEU 71 Ca 0.26 -0.13 0.00 0.00 -0.12 0.00 0.00 57.88 57.89 1gpx h LEU 71 Cb 0.44 -0.07 0.00 0.00 -0.73 0.00 0.00 40.66 40.30 1gpx h LEU 71 CO -0.58 0.73 -0.01 1.21 -0.62 0.00 0.00 178.44 179.18 1gpx n GLU 72 N -3.92 1.59 -0.13 1.25 2.13 0.15 -4.20 120.64 117.50 1gpx n GLU 72 Ca -0.02 -0.87 -0.05 0.00 0.66 0.00 0.00 57.16 56.88 1gpx n GLU 72 Cb 0.57 -1.48 0.01 0.00 0.27 0.00 0.00 31.44 30.80 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 -6.11 4.70 -0.66 0.00 -7.23 -1.20 -4.96 120.40 104.94 1gpx s VAL 74 Ca -0.14 0.07 -0.32 0.00 -1.81 0.00 0.00 61.98 59.77 1gpx s VAL 74 Cb 0.15 -4.33 -0.15 0.00 0.56 0.00 0.00 36.38 32.61 1gpx s VAL 74 CO 0.70 -0.79 2.45 0.41 -0.31 0.00 0.00 175.10 177.56 1gpx n THR 75 N 5.93 0.02 -1.21 5.32 -1.04 -1.24 -4.68 114.28 117.39 1gpx n THR 75 Ca -0.01 -0.29 0.09 0.00 -2.04 0.00 0.00 64.05 61.80 1gpx n THR 75 Cb 0.47 -1.41 0.16 0.00 -1.82 0.00 0.00 70.33 67.73 1gpx n THR 75 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1gpx n ALA 76 N 11.62 2.61 -2.82 2.41 0.00 -1.26 -4.30 120.51 128.77 1gpx n ALA 76 Ca 0.51 -2.80 -0.10 0.00 0.00 0.00 0.00 53.44 51.06 1gpx n ALA 76 Cb 0.22 -0.37 0.03 0.00 0.00 0.00 0.00 19.45 19.32 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 -1.35 -2.87 0.00 0.00 0.28 -1.26 -4.56 120.64 110.88 1gpx n GLU 77 Ca 0.17 0.36 0.00 0.00 -0.16 0.00 0.00 57.16 57.52 1gpx n GLU 77 Cb 0.65 -3.99 0.00 0.00 1.43 0.00 0.00 31.44 29.53 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 -2.18 0.00 0.00 -1.84 7.94 -1.26 -4.97 117.00 114.69 1gpx n LEU 78 Ca -0.01 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.89 1gpx n LEU 78 Cb 0.53 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.48 1gpx n LEU 78 CO 0.24 0.00 0.00 0.29 -1.11 0.00 0.00 177.39 176.81 1gpx n LYS 79 N 0.00 1.28 0.05 1.96 5.02 -1.26 -5.01 118.16 120.20 1gpx n LYS 79 Ca 0.00 0.00 -0.08 0.00 -2.02 0.00 0.00 58.31 56.21 1gpx n LYS 79 Cb 0.00 0.00 -0.13 0.00 -0.02 0.00 0.00 35.03 34.88 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 0.03 0.00 1.97 0.13 -2.01 -3.29 132.00 128.83 1gpx h PRO 80 Ca 0.00 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 65.08 1gpx h PRO 80 Cb 0.00 0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.15 1gpx h PRO 80 CO 0.00 0.94 -0.83 0.27 -0.23 0.00 0.00 178.00 178.14 1gpx n ASN 81 N -3.32 0.65 -4.38 1.44 6.94 -1.26 -4.96 115.26 110.37 1gpx n ASN 81 Ca -0.04 -0.37 -0.36 0.00 -0.02 0.00 0.00 54.58 53.79 1gpx n ASN 81 Cb 0.97 0.63 0.07 0.00 -2.36 0.00 0.00 39.78 39.10 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 -1.72 -2.16 -3.61 0.53 7.64 -1.24 -4.29 113.62 108.77 1gpx n SER 82 Ca 0.04 0.49 -0.05 0.00 1.01 0.00 0.00 58.87 60.36 1gpx n SER 82 Cb 0.38 -1.13 -0.04 0.00 -1.01 0.00 0.00 64.21 62.42 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 -2.72 0.27 0.51 1.43 0.52 -0.71 -4.94 118.95 113.31 1gpx s ARG 83 Ca 0.60 -0.01 -0.19 0.00 -0.52 0.00 0.00 55.73 55.61 1gpx s ARG 83 Cb -0.31 0.13 -0.08 0.00 0.52 0.00 0.00 34.95 35.21 1gpx s ARG 83 CO 0.64 -0.10 1.05 -0.51 0.02 0.00 0.00 175.30 176.39 1gpx s LEU 84 N -1.49 3.78 0.59 2.53 1.43 -1.26 -0.46 118.68 123.81 1gpx s LEU 84 Ca 0.07 1.92 0.29 0.00 -1.03 0.00 0.00 54.13 55.38 1gpx s LEU 84 Cb -0.01 -4.56 1.28 0.00 0.03 0.00 0.00 46.19 42.93 1gpx s LEU 84 CO -0.05 -0.87 1.64 0.77 0.23 0.00 0.00 176.35 178.08 1gpx h SER 85 N 1.35 0.00 -1.31 2.29 4.64 -0.76 0.50 113.55 120.26 1gpx h SER 85 Ca -0.49 0.00 -0.65 0.00 -0.47 0.00 0.00 61.79 60.18 1gpx h SER 85 Cb 1.22 0.00 -0.35 0.00 -0.31 0.00 0.00 62.40 62.96 1gpx h SER 85 CO 0.59 0.00 0.09 0.00 -0.87 0.00 0.00 176.83 176.63 1gpx n GLN 87 N -0.66 2.11 -4.14 0.00 -0.06 0.18 -3.00 117.38 111.79 1gpx n GLN 87 Ca 0.50 0.00 -0.32 0.00 -2.00 0.00 0.00 57.00 55.18 1gpx n GLN 87 Cb 0.63 -0.86 -0.08 0.00 -4.06 0.00 0.00 30.24 25.88 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 -1.73 4.40 0.27 1.69 1.01 -1.25 -4.92 121.20 120.67 1gpx s ILE 88 Ca 0.00 -0.65 0.09 0.00 0.00 0.00 0.00 60.65 60.08 1gpx s ILE 88 Cb 0.00 -3.04 -0.04 0.00 0.01 0.00 0.00 42.46 39.39 1gpx s ILE 88 CO 0.00 0.26 0.08 -0.63 0.00 0.00 0.00 174.94 174.65 1gpx s ILE 89 N -1.23 3.75 -0.30 2.92 -1.09 -1.26 -3.68 121.20 120.30 1gpx s ILE 89 Ca 0.24 -1.71 -0.06 0.00 -2.23 0.00 0.00 60.65 56.90 1gpx s ILE 89 Cb -0.12 -3.05 0.02 0.00 -1.58 0.00 0.00 42.46 37.73 1gpx s ILE 89 CO 0.16 -0.34 0.06 -0.32 -1.23 0.00 0.00 174.94 173.27 1gpx s MET 90 N -3.76 2.84 0.52 2.79 1.75 0.93 -4.87 119.30 119.51 1gpx s MET 90 Ca 0.33 -1.02 0.06 0.00 -1.25 0.00 0.00 55.69 53.81 1gpx s MET 90 Cb -0.06 -3.33 0.04 0.00 2.84 0.00 0.00 34.83 34.32 1gpx s MET 90 CO 0.22 -0.53 0.71 0.95 -0.65 0.00 0.00 175.02 175.73 1gpx s THR 91 N 1.42 2.64 0.24 10.11 -4.23 -1.26 -2.54 115.64 122.02 1gpx s THR 91 Ca 0.00 -0.87 0.06 0.00 -1.18 0.00 0.00 61.69 59.70 1gpx s THR 91 Cb -0.18 -2.77 -0.05 0.00 1.34 0.00 0.00 72.50 70.84 1gpx s THR 91 CO 0.01 0.00 1.55 1.55 -0.54 0.00 0.00 174.62 177.19 1gpx h PRO 92 N 0.28 0.16 0.12 3.99 0.13 -1.95 -3.28 132.00 131.45 1gpx h PRO 92 Ca -0.38 -0.12 -0.18 0.00 -0.87 0.00 0.00 66.00 64.45 1gpx h PRO 92 Cb 1.28 0.02 0.02 0.00 0.13 0.00 0.00 31.00 32.45 1gpx h PRO 92 CO 0.45 0.75 -0.84 1.05 -0.23 0.00 0.00 178.00 179.18 1gpx h GLU 93 N 0.11 0.26 -2.42 0.86 -0.00 -2.00 -3.35 114.58 108.06 1gpx h GLU 93 Ca -0.01 -0.45 -0.23 0.00 -0.00 0.00 0.00 59.36 58.67 1gpx h GLU 93 Cb 1.16 0.17 -0.04 0.00 -0.00 0.00 0.00 28.75 30.04 1gpx h GLU 93 CO 0.09 1.21 0.51 1.28 -0.00 0.00 0.00 179.01 182.11 1gpx n LEU 94 N -4.14 4.72 -4.90 3.06 4.77 -1.24 -4.88 117.00 114.39 1gpx n LEU 94 Ca -0.15 -2.83 -0.28 0.00 -0.03 0.00 0.00 56.01 52.71 1gpx n LEU 94 Cb 0.80 -1.17 -0.04 0.00 -2.33 0.00 0.00 43.42 40.69 1gpx n LEU 94 CO 0.46 1.27 -0.15 1.51 -1.33 0.00 0.00 177.39 179.15 1gpx s ASP 95 N 2.32 6.15 0.00 -1.43 -4.77 -1.26 -4.48 116.67 113.21 1gpx s ASP 95 Ca 0.53 0.14 0.00 0.00 -3.30 0.00 0.00 52.55 49.93 1gpx s ASP 95 Cb 0.23 -1.82 0.00 0.00 -1.09 0.00 0.00 42.92 40.24 1gpx s ASP 95 CO -0.01 0.10 0.00 0.61 0.70 0.00 0.00 175.17 176.57 1gpx n GLY 96 N -0.15 1.29 3.79 2.12 0.00 -0.80 -4.82 105.19 106.62 1gpx n GLY 96 Ca -0.07 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.62 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 3.58 -0.35 -0.61 2.07 -0.99 -4.92 121.20 117.98 1gpx s ILE 97 Ca 0.00 0.78 0.02 0.00 -1.41 0.00 0.00 60.65 60.04 1gpx s ILE 97 Cb 0.00 -3.29 0.11 0.00 0.13 0.00 0.00 42.46 39.40 1gpx s ILE 97 CO 0.00 -0.41 0.10 -0.69 -1.91 0.00 0.00 174.94 172.03 1gpx s VAL 98 N -2.33 1.70 0.50 4.00 1.01 -1.26 -1.05 120.40 122.96 1gpx s VAL 98 Ca 0.66 -2.09 0.08 0.00 0.00 0.00 0.00 61.98 60.62 1gpx s VAL 98 Cb -0.18 -2.25 0.03 0.00 0.00 0.00 0.00 36.38 33.98 1gpx s VAL 98 CO 0.36 -0.67 0.53 0.54 0.00 0.00 0.00 175.10 175.86 1gpx s VAL 99 N 1.02 2.28 0.32 2.92 0.11 0.71 -1.11 120.40 126.64 1gpx s VAL 99 Ca 0.12 -1.24 -0.15 0.00 -2.93 0.00 0.00 61.98 57.78 1gpx s VAL 99 Cb -0.19 -2.51 0.02 0.00 -1.53 0.00 0.00 36.38 32.17 1gpx s VAL 99 CO -0.13 0.00 0.66 -1.81 -3.33 0.00 0.00 175.10 170.49 1gpx s ASP 100 N -4.36 0.01 -0.14 3.54 1.11 0.76 0.30 116.67 117.90 1gpx s ASP 100 Ca 0.49 -0.96 -0.02 0.00 0.18 0.00 0.00 52.55 52.24 1gpx s ASP 100 Cb -0.05 0.73 -0.02 0.00 1.07 0.00 0.00 42.92 44.66 1gpx s ASP 100 CO 0.30 -1.42 -0.08 -0.69 1.18 0.00 0.00 175.17 174.47 1gpx s VAL 101 N -3.29 3.56 0.17 -1.27 1.01 0.26 0.93 120.40 121.77 1gpx s VAL 101 Ca 0.17 -0.48 -0.30 0.00 0.00 0.00 0.00 61.98 61.37 1gpx s VAL 101 Cb -0.04 -2.53 -0.08 0.00 0.00 0.00 0.00 36.38 33.74 1gpx s VAL 101 CO 0.11 0.52 1.18 -2.16 0.00 0.00 0.00 175.10 174.74 1gpx s PRO 102 N 0.24 4.50 -0.35 2.72 0.04 -1.26 -2.71 135.00 138.18 1gpx s PRO 102 Ca -0.05 1.84 -0.04 0.00 0.04 0.00 0.00 61.00 62.78 1gpx s PRO 102 Cb -0.14 -3.26 0.06 0.00 0.04 0.00 0.00 34.50 31.20 1gpx s PRO 102 CO 0.04 -0.08 0.10 0.16 0.04 0.00 0.00 177.00 177.26 1gpx s ASP 103 N 0.18 5.18 -0.69 6.66 1.47 -1.26 -4.89 116.67 123.32 1gpx s ASP 103 Ca 0.53 -1.40 0.02 0.00 1.18 0.00 0.00 52.55 52.87 1gpx s ASP 103 Cb -0.32 -1.82 0.37 0.00 -0.34 0.00 0.00 42.92 40.81 1gpx s ASP 103 CO 0.36 -0.37 1.47 0.54 0.68 0.00 0.00 175.17 177.84 1gpx n ARG 104 N 4.71 3.56 -3.24 2.11 5.12 -1.26 -4.89 116.66 122.77 1gpx n ARG 104 Ca -0.10 -4.33 -0.40 0.00 -1.93 0.00 0.00 57.85 51.09 1gpx n ARG 104 Cb 0.43 -2.29 -0.02 0.00 -1.16 0.00 0.00 32.46 29.42 1gpx n ARG 104 CO 0.00 0.00 0.00 1.04 -1.93 0.00 0.00 177.63 176.74 1gpx n GLN 105 N -0.37 3.68 0.00 5.56 6.02 -1.26 -5.00 117.38 126.01 1gpx n GLN 105 Ca 0.43 -4.55 0.00 0.00 -0.01 0.00 0.00 57.00 52.87 1gpx n GLN 105 Cb 0.41 -2.46 0.00 0.00 1.02 0.00 0.00 30.24 29.21 1gpx n GLN 105 CO 0.00 0.00 0.00 0.91 -1.01 0.00 0.00 177.06 176.96