#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 4.74 -0.04 4.33 2.20 -1.26 -0.53 119.74 129.19 1gpx s LYS 2 Ca 0.00 1.41 0.05 0.00 -0.36 0.00 0.00 55.97 57.07 1gpx s LYS 2 Cb 0.00 -3.32 -0.00 0.00 -1.51 0.00 0.00 37.83 32.99 1gpx s LYS 2 CO 0.00 0.39 -0.18 0.08 -0.36 0.00 0.00 175.35 175.29 1gpx s VAL 3 N -0.65 1.46 -0.09 4.02 1.01 -1.10 -1.85 120.40 123.20 1gpx s VAL 3 Ca 0.43 -0.74 0.01 0.00 0.00 0.00 0.00 61.98 61.67 1gpx s VAL 3 Cb -0.24 -1.25 0.02 0.00 0.00 0.00 0.00 36.38 34.91 1gpx s VAL 3 CO 0.30 0.42 -0.10 -0.69 0.00 0.00 0.00 175.10 175.03 1gpx s VAL 4 N -0.03 1.07 -0.09 2.92 1.01 -0.85 0.09 120.40 124.52 1gpx s VAL 4 Ca -0.02 -0.38 -0.09 0.00 0.00 0.00 0.00 61.98 61.49 1gpx s VAL 4 Cb -0.11 -1.04 -0.04 0.00 0.00 0.00 0.00 36.38 35.19 1gpx s VAL 4 CO 0.02 0.36 0.20 -0.31 0.00 0.00 0.00 175.10 175.37 1gpx s TYR 5 N 1.20 3.63 0.21 5.22 2.02 0.73 0.23 117.35 130.58 1gpx s TYR 5 Ca -0.04 0.64 0.11 0.00 -0.37 0.00 0.00 57.07 57.40 1gpx s TYR 5 Cb -0.14 -2.02 -0.05 0.00 -0.40 0.00 0.00 41.96 39.35 1gpx s TYR 5 CO -0.03 0.72 -0.22 0.08 -1.57 0.00 0.00 175.55 174.53 1gpx s VAL 6 N -1.04 2.27 0.01 0.71 1.01 -0.90 0.17 120.40 122.63 1gpx s VAL 6 Ca 0.17 -2.10 0.08 0.00 0.00 0.00 0.00 61.98 60.13 1gpx s VAL 6 Cb -0.13 -2.11 -0.02 0.00 0.00 0.00 0.00 36.38 34.11 1gpx s VAL 6 CO 0.06 -0.23 -0.25 -0.94 0.00 0.00 0.00 175.10 173.74 1gpx s SER 7 N -2.88 3.21 0.62 3.32 1.04 0.41 0.25 113.70 119.68 1gpx s SER 7 Ca 0.22 -0.50 0.23 0.00 0.48 0.00 0.00 55.95 56.38 1gpx s SER 7 Cb -0.07 -0.37 0.97 0.00 0.10 0.00 0.00 66.02 66.65 1gpx s SER 7 CO 0.10 0.29 1.46 1.12 0.98 0.00 0.00 173.24 177.20 1gpx h HIS 8 N 5.14 0.00 -0.01 5.02 2.07 -1.73 2.30 115.15 127.95 1gpx h HIS 8 Ca -0.45 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.07 1gpx h HIS 8 Cb 1.13 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.11 1gpx h HIS 8 CO 0.44 0.00 -0.20 -0.40 -3.07 0.00 0.00 177.93 174.71 1gpx n ASP 9 N -3.17 1.05 0.00 3.10 5.68 -1.26 -4.92 116.55 117.03 1gpx n ASP 9 Ca 0.12 -0.97 0.00 0.00 -0.50 0.00 0.00 54.79 53.44 1gpx n ASP 9 Cb 1.08 0.09 0.00 0.00 -1.14 0.00 0.00 41.12 41.15 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 1.30 2.20 3.60 6.12 0.00 0.78 -5.05 105.19 114.15 1gpx n GLY 10 Ca 0.14 -0.22 -0.50 0.00 0.00 0.00 0.00 46.02 45.44 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 0.30 -4.29 2.61 -1.04 -1.25 -4.32 114.28 106.29 1gpx n THR 11 Ca 0.00 -0.07 -0.23 0.00 -2.04 0.00 0.00 64.05 61.71 1gpx n THR 11 Cb 0.00 -0.95 -0.12 0.00 -1.82 0.00 0.00 70.33 67.44 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 0.25 1.13 -0.10 -2.82 0.52 -1.26 0.16 118.95 116.83 1gpx s ARG 12 Ca 0.80 -1.20 -0.01 0.00 -0.52 0.00 0.00 55.73 54.79 1gpx s ARG 12 Cb -0.87 -1.31 0.03 0.00 0.52 0.00 0.00 34.95 33.31 1gpx s ARG 12 CO 0.47 0.29 -0.01 -0.98 0.02 0.00 0.00 175.30 175.10 1gpx s ARG 13 N -2.12 0.76 -0.16 3.54 1.70 0.44 -4.92 118.95 118.20 1gpx s ARG 13 Ca 0.08 -0.03 0.00 0.00 -0.47 0.00 0.00 55.73 55.31 1gpx s ARG 13 Cb -0.09 -1.25 -0.00 0.00 -0.57 0.00 0.00 34.95 33.04 1gpx s ARG 13 CO 0.05 -0.35 -0.15 -1.21 -1.08 0.00 0.00 175.30 172.55 1gpx s GLU 14 N 1.91 3.22 0.29 3.89 8.01 -1.26 0.26 118.70 135.02 1gpx s GLU 14 Ca 0.04 -0.75 0.03 0.00 0.01 0.00 0.00 54.97 54.30 1gpx s GLU 14 Cb -0.13 -2.63 0.03 0.00 -4.31 0.00 0.00 34.13 27.08 1gpx s GLU 14 CO -0.06 0.01 0.21 1.28 0.01 0.00 0.00 175.26 176.71 1gpx n LEU 15 N 4.07 0.00 -3.98 1.80 4.32 0.11 -4.96 117.00 118.36 1gpx n LEU 15 Ca -0.19 -1.55 -0.31 0.00 -0.02 0.00 0.00 56.01 53.94 1gpx n LEU 15 Cb 0.52 -0.01 -0.14 0.00 -1.62 0.00 0.00 43.42 42.17 1gpx n LEU 15 CO 0.29 -0.42 -0.19 -0.62 -1.22 0.00 0.00 177.39 175.22 1gpx s ASP 16 N -2.72 4.50 0.45 -1.43 2.15 -1.26 -2.70 116.67 115.65 1gpx s ASP 16 Ca 0.16 -2.80 0.07 0.00 0.43 0.00 0.00 52.55 50.40 1gpx s ASP 16 Cb -0.01 -1.66 0.02 0.00 -0.30 0.00 0.00 42.92 40.96 1gpx s ASP 16 CO 0.10 -0.28 0.61 -0.69 -0.17 0.00 0.00 175.17 174.74 1gpx s VAL 17 N 0.00 2.92 0.00 1.11 1.01 0.31 -4.93 120.40 120.83 1gpx s VAL 17 Ca 0.16 -0.93 0.00 0.00 0.00 0.00 0.00 61.98 61.20 1gpx s VAL 17 Cb -0.24 -2.99 0.00 0.00 0.00 0.00 0.00 36.38 33.15 1gpx s VAL 17 CO -0.02 0.00 0.00 0.00 0.00 0.00 0.00 175.10 175.08 1gpx n ALA 18 N -1.95 0.00 -2.65 5.51 0.00 -1.24 0.27 120.51 120.45 1gpx n ALA 18 Ca 0.08 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.14 1gpx n ALA 18 Cb 0.59 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.96 1gpx n ALA 18 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 1gpx s ASP 19 N 1.00 6.36 0.00 0.00 -4.77 -1.21 -3.73 116.67 114.32 1gpx s ASP 19 Ca 0.00 0.43 0.00 0.00 -3.30 0.00 0.00 52.55 49.68 1gpx s ASP 19 Cb 0.00 -2.22 0.00 0.00 -1.09 0.00 0.00 42.92 39.61 1gpx s ASP 19 CO 0.00 -0.11 0.00 0.61 0.70 0.00 0.00 175.17 176.37 1gpx n GLY 20 N 4.18 0.78 3.99 2.12 0.00 -1.00 -4.98 105.19 110.28 1gpx n GLY 20 Ca -0.09 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.75 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 3.40 0.33 1.61 1.01 -1.26 -4.84 120.40 118.65 1gpx s VAL 21 Ca 0.00 -0.90 0.09 0.00 0.00 0.00 0.00 61.98 61.16 1gpx s VAL 21 Cb 0.00 -3.18 -0.06 0.00 0.00 0.00 0.00 36.38 33.14 1gpx s VAL 21 CO 0.00 -0.08 -0.08 -0.94 0.00 0.00 0.00 175.10 174.00 1gpx s SER 22 N -4.29 3.46 0.48 3.32 1.04 -1.26 0.28 113.70 116.72 1gpx s SER 22 Ca 0.51 -1.20 0.32 0.00 0.48 0.00 0.00 55.95 56.06 1gpx s SER 22 Cb -0.10 -0.30 1.73 0.00 0.10 0.00 0.00 66.02 67.46 1gpx s SER 22 CO 0.34 -0.25 1.97 -0.07 0.98 0.00 0.00 173.24 176.21 1gpx h LEU 23 N 2.08 0.00 0.00 2.42 3.38 -1.52 -2.81 115.31 118.86 1gpx h LEU 23 Ca -0.41 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.56 1gpx h LEU 23 Cb 1.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.00 1gpx h LEU 23 CO 0.70 0.00 -0.04 -0.03 0.09 0.00 0.00 178.44 179.15 1gpx h MET 24 N 0.00 0.00 0.00 1.13 1.85 0.12 -3.26 114.93 114.77 1gpx h MET 24 Ca 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 59.70 59.09 1gpx h MET 24 Cb 0.03 0.00 0.00 0.00 0.43 0.00 0.00 31.60 32.06 1gpx h MET 24 CO 0.00 0.00 0.00 0.94 -0.40 0.00 0.00 176.91 177.45 1gpx n GLN 25 N -3.00 0.00 -0.10 0.39 7.27 -1.08 0.37 117.38 121.23 1gpx n GLN 25 Ca -0.01 0.80 -0.05 0.00 0.07 0.00 0.00 57.00 57.82 1gpx n GLN 25 Cb 0.02 -1.23 -0.04 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 -0.95 -0.35 -0.66 1.69 0.00 -1.75 0.33 119.26 117.57 1gpx h ALA 26 Ca 0.00 0.02 0.13 0.00 0.00 0.00 0.00 54.91 55.06 1gpx h ALA 26 Cb 0.00 0.99 -0.13 0.00 0.00 0.00 0.00 17.79 18.65 1gpx h ALA 26 CO 0.00 -0.48 -0.16 0.00 0.00 0.00 0.00 179.25 178.62 1gpx h ALA 27 N -0.66 0.45 -0.69 0.00 0.00 -1.24 0.54 119.26 117.65 1gpx h ALA 27 Ca 0.04 0.26 0.10 0.00 0.00 0.00 0.00 54.91 55.31 1gpx h ALA 27 Cb 0.19 0.50 -0.12 0.00 0.00 0.00 0.00 17.79 18.36 1gpx h ALA 27 CO -0.28 -0.42 -0.44 0.28 0.00 0.00 0.00 179.25 178.39 1gpx h VAL 28 N 0.00 0.06 -0.28 0.00 2.07 1.01 0.56 116.25 119.68 1gpx h VAL 28 Ca 0.32 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.89 1gpx h VAL 28 Cb 0.49 0.06 -0.05 0.00 -1.52 0.00 0.00 31.29 30.28 1gpx h VAL 28 CO -0.68 0.00 -0.02 -1.28 0.02 0.00 0.00 177.57 175.62 1gpx h SER 29 N -0.16 -0.15 0.00 0.57 0.87 0.15 1.15 113.55 115.97 1gpx h SER 29 Ca 0.21 0.07 0.00 0.00 -1.23 0.00 0.00 61.79 60.83 1gpx h SER 29 Cb 0.55 0.13 0.00 0.00 -0.44 0.00 0.00 62.40 62.64 1gpx h SER 29 CO -0.77 -0.04 0.01 0.59 -0.53 0.00 0.00 176.83 176.09 1gpx n ASN 30 N -5.18 0.08 0.00 6.23 3.02 0.87 -4.74 115.26 115.54 1gpx n ASN 30 Ca -0.00 0.53 0.00 0.00 -0.03 0.00 0.00 54.58 55.08 1gpx n ASN 30 Cb 0.15 -0.54 0.00 0.00 -0.61 0.00 0.00 39.78 38.78 1gpx n ASN 30 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1gpx n GLY 31 N -1.47 1.65 0.33 7.41 0.00 0.39 -4.89 105.19 108.61 1gpx n GLY 31 Ca -0.00 0.00 0.27 0.00 0.00 0.00 0.00 46.02 46.29 1gpx n GLY 31 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1gpx n ILE 32 N -2.00 -0.42 -2.73 -0.61 5.41 0.37 -1.22 119.36 118.16 1gpx n ILE 32 Ca 0.00 2.07 -0.35 0.00 1.00 0.00 0.00 62.75 65.47 1gpx n ILE 32 Cb 0.00 -3.26 -0.00 0.00 -0.71 0.00 0.00 39.64 35.66 1gpx n ILE 32 CO 0.00 0.00 0.00 -1.22 0.00 0.00 0.00 176.55 175.33 1gpx n TYR 33 N -5.32 3.32 0.21 1.39 4.01 -1.25 -4.71 117.16 114.82 1gpx n TYR 33 Ca 0.34 -3.15 0.14 0.00 -0.16 0.00 0.00 57.90 55.06 1gpx n TYR 33 Cb 1.14 -0.88 0.73 0.00 -0.31 0.00 0.00 39.34 40.02 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 3.63 0.00 -0.62 7.72 2.03 -1.48 -3.30 116.42 124.39 1gpx h ASP 34 Ca 0.37 0.00 -0.68 0.00 -0.73 0.00 0.00 57.03 55.99 1gpx h ASP 34 Cb 0.40 0.00 -0.07 0.00 -0.83 0.00 0.00 39.33 38.83 1gpx h ASP 34 CO 1.03 0.00 2.43 0.00 -1.03 0.00 0.00 179.24 181.67 1gpx n ILE 35 N -2.45 3.76 -3.60 4.15 3.06 -1.26 -4.83 119.36 118.20 1gpx n ILE 35 Ca -0.02 -3.76 -0.27 0.00 -2.50 0.00 0.00 62.75 56.20 1gpx n ILE 35 Cb 0.05 -2.41 -0.09 0.00 0.54 0.00 0.00 39.64 37.72 1gpx n ILE 35 CO 0.00 0.00 0.00 0.52 -2.50 0.00 0.00 176.55 174.57 1gpx n VAL 36 N 6.09 2.09 -0.01 9.51 0.31 -1.25 -4.77 118.33 130.30 1gpx n VAL 36 Ca 0.50 -5.09 0.00 0.00 -0.01 0.00 0.00 64.34 59.74 1gpx n VAL 36 Cb 0.44 -2.13 0.00 0.00 -0.91 0.00 0.00 33.84 31.24 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 1.26 -0.86 1.03 2.92 0.00 -1.26 -4.53 105.19 103.75 1gpx n GLY 37 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.28 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 -0.24 0.64 -0.06 1.61 8.00 -1.26 -4.82 116.55 120.41 1gpx n ASP 38 Ca 0.00 0.08 -0.09 0.00 0.71 0.00 0.00 54.79 55.49 1gpx n ASP 38 Cb 0.00 -0.19 0.06 0.00 -0.02 0.00 0.00 41.12 40.97 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 -0.43 1.71 0.00 0.00 -1.26 0.21 105.19 105.39 1gpx n GLY 40 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 -0.67 0.68 0.00 -0.02 0.00 -1.26 -4.94 105.19 98.97 1gpx n GLY 41 Ca -0.10 -0.77 0.00 0.00 0.00 0.00 0.00 46.02 45.16 1gpx n GLY 41 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1gpx n SER 42 N 1.71 0.00 -2.24 1.61 3.41 0.57 -5.05 113.62 113.64 1gpx n SER 42 Ca 0.00 -1.00 -0.07 0.00 -0.26 0.00 0.00 58.87 57.54 1gpx n SER 42 Cb 0.49 0.00 0.03 0.00 -0.26 0.00 0.00 64.21 64.47 1gpx n SER 42 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1gpx n ALA 43 N 0.00 -1.30 -2.24 7.33 0.00 -1.23 -4.98 120.51 118.10 1gpx n ALA 43 Ca 0.00 0.05 0.04 0.00 0.00 0.00 0.00 53.44 53.52 1gpx n ALA 43 Cb 0.43 -2.60 0.08 0.00 0.00 0.00 0.00 19.45 17.36 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 -2.21 1.34 -4.62 0.00 7.64 -1.26 -4.69 113.62 109.81 1gpx n SER 44 Ca -0.05 -2.61 -0.30 0.00 1.01 0.00 0.00 58.87 56.93 1gpx n SER 44 Cb 0.56 -0.38 -0.09 0.00 -1.01 0.00 0.00 64.21 63.29 1gpx n SER 44 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1gpx n ALA 46 N 0.57 2.56 -0.05 0.00 0.00 -1.25 -3.97 120.51 118.37 1gpx n ALA 46 Ca -0.12 -0.55 -0.06 0.00 0.00 0.00 0.00 53.44 52.71 1gpx n ALA 46 Cb 0.52 -0.36 -0.07 0.00 0.00 0.00 0.00 19.45 19.55 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 0.39 0.68 1.47 0.00 5.66 -1.26 -4.48 114.28 116.75 1gpx n THR 47 Ca 0.06 -0.38 0.02 0.00 -3.05 0.00 0.00 64.05 60.69 1gpx n THR 47 Cb 0.25 -0.79 0.12 0.00 -1.55 0.00 0.00 70.33 68.36 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 -0.58 0.47 -3.92 0.00 -0.00 -1.26 0.11 115.22 110.04 1gpx n HIS 49 Ca 0.03 0.79 -0.08 0.00 0.46 0.00 0.00 57.72 58.92 1gpx n HIS 49 Cb 0.01 -2.12 -0.08 0.00 -0.12 0.00 0.00 29.99 27.68 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 -1.08 0.16 -0.18 3.57 -7.23 0.54 -4.31 120.40 111.88 1gpx s VAL 50 Ca 0.61 -1.33 0.00 0.00 -1.81 0.00 0.00 61.98 59.45 1gpx s VAL 50 Cb -0.77 -1.34 0.01 0.00 0.56 0.00 0.00 36.38 34.84 1gpx s VAL 50 CO 0.58 -0.73 -0.17 -0.31 -0.31 0.00 0.00 175.10 174.16 1gpx s TYR 51 N -3.74 2.80 0.68 2.82 2.02 0.87 -0.72 117.35 122.08 1gpx s TYR 51 Ca 0.04 -1.47 -0.08 0.00 -0.37 0.00 0.00 57.07 55.20 1gpx s TYR 51 Cb 0.05 -1.94 0.04 0.00 -0.40 0.00 0.00 41.96 39.71 1gpx s TYR 51 CO -0.10 -0.73 1.01 0.08 -1.57 0.00 0.00 175.55 174.24 1gpx s VAL 52 N 1.25 2.79 0.00 0.71 1.01 -1.26 0.28 120.40 125.18 1gpx s VAL 52 Ca 0.03 -0.07 0.00 0.00 0.00 0.00 0.00 61.98 61.94 1gpx s VAL 52 Cb -0.14 -3.19 0.00 0.00 0.00 0.00 0.00 36.38 33.06 1gpx s VAL 52 CO -0.10 -0.21 0.00 -0.46 0.00 0.00 0.00 175.10 174.33 1gpx n ASN 53 N -2.88 0.00 -0.07 3.32 6.94 0.24 -4.82 115.26 117.99 1gpx n ASN 53 Ca 0.07 0.00 -0.05 0.00 -0.02 0.00 0.00 54.58 54.58 1gpx n ASN 53 Cb 0.59 0.00 -0.15 0.00 -2.36 0.00 0.00 39.78 37.87 1gpx n ASN 53 CO 0.00 0.00 0.00 -1.84 -1.03 0.00 0.00 177.26 174.39 1gpx n GLU 54 N 0.00 0.93 -1.03 -3.83 0.00 -1.26 -4.35 120.64 111.10 1gpx n GLU 54 Ca 0.00 -0.04 -0.05 0.00 0.00 0.00 0.00 57.16 57.07 1gpx n GLU 54 Cb 0.00 -1.47 0.32 0.00 0.00 0.00 0.00 31.44 30.29 1gpx n GLU 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1gpx n ALA 55 N -2.58 4.54 -0.00 -1.84 0.00 -1.26 -4.35 120.51 115.03 1gpx n ALA 55 Ca -0.25 -2.31 0.00 0.00 0.00 0.00 0.00 53.44 50.89 1gpx n ALA 55 Cb 0.98 -1.24 0.00 0.00 0.00 0.00 0.00 19.45 19.19 1gpx n ALA 55 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1gpx n PHE 56 N -0.06 0.00 -0.07 0.00 3.01 -1.26 -4.69 117.46 114.38 1gpx n PHE 56 Ca 0.40 0.00 -0.14 0.00 1.01 0.00 0.00 57.45 58.72 1gpx n PHE 56 Cb 1.38 0.00 -0.12 0.00 -0.01 0.00 0.00 39.48 40.73 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 1.58 0.00 4.37 1.35 -1.77 -2.48 112.91 115.97 1gpx h THR 57 Ca 0.00 -2.24 0.00 0.00 -0.55 0.00 0.00 66.41 63.62 1gpx h THR 57 Cb 0.00 3.04 0.00 0.00 -1.73 0.00 0.00 68.15 69.46 1gpx h THR 57 CO 0.00 0.54 0.00 0.44 -0.25 0.00 0.00 175.52 176.25 1gpx h ASP 58 N -1.00 0.00 0.01 5.36 3.32 -1.89 -2.58 116.42 119.65 1gpx h ASP 58 Ca -0.04 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.01 1gpx h ASP 58 Cb 0.97 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.52 1gpx h ASP 58 CO -0.02 0.00 -0.01 0.11 -1.72 0.00 0.00 179.24 177.60 1gpx h LYS 59 N 0.00 -0.02 -6.76 3.56 1.79 -1.83 -3.45 116.57 109.86 1gpx h LYS 59 Ca 0.00 0.00 -0.50 0.00 -2.18 0.00 0.00 60.65 57.97 1gpx h LYS 59 Cb 0.19 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 30.84 1gpx h LYS 59 CO 0.00 0.58 0.41 0.54 -1.08 0.00 0.00 179.45 179.89 1gpx s VAL 60 N -2.11 3.84 0.88 0.50 0.11 -0.94 -5.02 120.40 117.66 1gpx s VAL 60 Ca -0.12 1.82 -0.11 0.00 -2.93 0.00 0.00 61.98 60.64 1gpx s VAL 60 Cb -0.02 -4.16 0.12 0.00 -1.53 0.00 0.00 36.38 30.80 1gpx s VAL 60 CO 0.43 0.42 1.10 -2.16 -3.33 0.00 0.00 175.10 171.56 1gpx s PRO 61 N -1.17 1.38 0.34 1.54 0.04 -1.26 -4.83 135.00 131.04 1gpx s PRO 61 Ca 0.43 1.14 -0.06 0.00 0.04 0.00 0.00 61.00 62.56 1gpx s PRO 61 Cb -0.28 -1.80 0.08 0.00 0.04 0.00 0.00 34.50 32.53 1gpx s PRO 61 CO 0.36 -2.25 0.46 0.00 0.04 0.00 0.00 177.00 175.61 1gpx n ALA 62 N -3.93 -0.51 -3.56 8.56 0.00 -1.26 -4.94 120.51 114.87 1gpx n ALA 62 Ca 0.09 -0.61 -0.01 0.00 0.00 0.00 0.00 53.44 52.90 1gpx n ALA 62 Cb 0.53 -0.02 -0.00 0.00 0.00 0.00 0.00 19.45 19.96 1gpx n ALA 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1gpx n ALA 63 N -3.28 0.03 -2.47 0.00 0.00 -1.26 -5.06 120.51 108.46 1gpx n ALA 63 Ca -0.07 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.27 1gpx n ALA 63 Cb 0.20 0.04 0.00 0.00 0.00 0.00 0.00 19.45 19.69 1gpx n ALA 63 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1gpx n ASN 64 N -1.91 0.06 0.31 0.00 2.04 -1.26 -4.93 115.26 109.57 1gpx n ASN 64 Ca -0.00 -0.44 0.19 0.00 -0.44 0.00 0.00 54.58 53.89 1gpx n ASN 64 Cb 0.03 0.00 1.04 0.00 -2.53 0.00 0.00 39.78 38.32 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 0.64 -3.83 4.11 -2.01 -2.79 114.58 110.70 1gpx h GLU 65 Ca 0.00 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.40 1gpx h GLU 65 Cb 0.00 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.26 1gpx h GLU 65 CO 0.00 0.01 -0.31 -0.09 0.07 0.00 0.00 179.01 178.70 1gpx h ARG 66 N 0.00 -0.82 0.00 1.06 2.43 -1.94 -2.45 114.38 112.66 1gpx h ARG 66 Ca -0.00 0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.23 1gpx h ARG 66 Cb 0.08 0.19 0.00 0.00 -0.42 0.00 0.00 29.97 29.82 1gpx h ARG 66 CO 0.00 -0.51 0.00 -1.91 -1.51 0.00 0.00 179.97 176.05 1gpx n GLU 67 N -5.39 0.00 -0.00 0.20 4.07 -1.05 -2.13 120.64 116.34 1gpx n GLU 67 Ca -0.12 0.00 -0.21 0.00 -0.06 0.00 0.00 57.16 56.77 1gpx n GLU 67 Cb 0.36 -1.44 -0.14 0.00 -0.06 0.00 0.00 31.44 30.16 1gpx n GLU 67 CO 0.00 0.00 0.00 -0.89 -0.06 0.00 0.00 177.13 176.18 1gpx n ILE 68 N -0.94 1.76 -0.05 6.31 2.08 -0.92 -3.60 119.36 123.99 1gpx n ILE 68 Ca 0.00 -0.66 -0.01 0.00 0.56 0.00 0.00 62.75 62.64 1gpx n ILE 68 Cb 0.00 -1.68 -0.00 0.00 -0.75 0.00 0.00 39.64 37.20 1gpx n ILE 68 CO 0.00 0.00 0.00 1.23 0.56 0.00 0.00 176.55 178.34 1gpx h GLY 69 N 1.27 0.00 -0.23 7.39 0.00 -1.47 0.44 103.07 110.46 1gpx h GLY 69 Ca -0.43 0.00 0.21 0.00 0.00 0.00 0.00 47.33 47.11 1gpx h GLY 69 CO 0.08 0.00 0.31 0.00 0.00 0.00 0.00 176.54 176.93 1gpx h MET 70 N -0.95 0.32 -0.08 4.80 -0.00 -1.80 0.97 114.93 118.20 1gpx h MET 70 Ca 0.00 -0.02 -0.17 0.00 -0.00 0.00 0.00 59.70 59.51 1gpx h MET 70 Cb 0.15 -0.07 -0.01 0.00 -0.00 0.00 0.00 31.60 31.67 1gpx h MET 70 CO 0.00 0.21 -0.69 1.25 -0.00 0.00 0.00 176.91 177.68 1gpx h LEU 71 N 0.33 0.42 -1.40 -0.10 6.46 -1.69 -2.78 115.31 116.54 1gpx h LEU 71 Ca 0.53 -0.26 -0.01 0.00 -0.12 0.00 0.00 57.88 58.01 1gpx h LEU 71 Cb 1.00 -0.12 -0.00 0.00 -0.73 0.00 0.00 40.66 40.81 1gpx h LEU 71 CO -0.55 0.98 -0.06 -0.08 -0.62 0.00 0.00 178.44 178.11 1gpx h GLU 72 N 0.25 0.00 -0.47 1.25 4.81 0.30 -2.79 114.58 117.93 1gpx h GLU 72 Ca -0.02 0.00 0.14 0.00 -0.13 0.00 0.00 59.36 59.34 1gpx h GLU 72 Cb 1.25 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.61 1gpx h GLU 72 CO 0.12 0.06 0.65 0.00 -0.73 0.00 0.00 179.01 179.11 1gpx n VAL 74 N -3.37 4.31 -0.53 0.00 0.24 -1.05 -4.91 118.33 113.01 1gpx n VAL 74 Ca 0.09 -4.68 -0.15 0.00 -2.04 0.00 0.00 64.34 57.56 1gpx n VAL 74 Cb 0.83 -2.43 -0.04 0.00 -1.47 0.00 0.00 33.84 30.73 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 4.11 0.00 -2.70 3.34 5.66 -1.11 -4.46 114.28 119.13 1gpx n THR 75 Ca 0.37 -0.14 -0.18 0.00 -3.05 0.00 0.00 64.05 61.05 1gpx n THR 75 Cb 0.40 -0.99 0.00 0.00 -1.55 0.00 0.00 70.33 68.20 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 5.50 3.93 -4.07 1.79 0.00 -1.26 -4.97 120.51 121.42 1gpx n ALA 76 Ca 0.16 -3.74 -0.45 0.00 0.00 0.00 0.00 53.44 49.41 1gpx n ALA 76 Cb 0.21 -0.78 0.02 0.00 0.00 0.00 0.00 19.45 18.90 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 -0.18 -0.25 -0.20 0.00 0.00 -1.26 -4.63 120.64 114.12 1gpx n GLU 77 Ca 0.24 0.03 -0.07 0.00 0.00 0.00 0.00 57.16 57.36 1gpx n GLU 77 Cb 0.70 -2.25 -0.00 0.00 0.00 0.00 0.00 31.44 29.89 1gpx n GLU 77 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.13 177.02 1gpx n LEU 78 N -4.86 -0.23 -4.95 -1.84 7.94 -1.26 -4.90 117.00 106.89 1gpx n LEU 78 Ca -0.11 0.15 -0.23 0.00 -1.11 0.00 0.00 56.01 54.72 1gpx n LEU 78 Cb 0.53 -0.14 0.04 0.00 0.53 0.00 0.00 43.42 44.39 1gpx n LEU 78 CO 0.71 -0.47 0.43 -0.54 -1.11 0.00 0.00 177.39 176.41 1gpx s LYS 79 N -0.15 2.55 0.45 1.96 -0.14 -1.26 -4.95 119.74 118.21 1gpx s LYS 79 Ca 0.09 -0.55 0.22 0.00 -1.36 0.00 0.00 55.97 54.37 1gpx s LYS 79 Cb -0.13 -2.40 1.07 0.00 -1.68 0.00 0.00 37.83 34.70 1gpx s LYS 79 CO 0.08 -0.79 1.93 -1.00 -0.76 0.00 0.00 175.35 174.81 1gpx h PRO 80 N -0.08 0.00 -0.01 -1.68 0.13 -2.01 -2.73 132.00 125.62 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 1.29 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.42 1gpx h PRO 80 CO 0.56 0.23 -0.49 0.27 -0.23 0.00 0.00 178.00 178.34 1gpx n ASN 81 N -3.73 1.30 -4.37 1.44 0.23 -1.26 -4.99 115.26 103.88 1gpx n ASN 81 Ca -0.01 -1.15 -0.35 0.00 -0.53 0.00 0.00 54.58 52.53 1gpx n ASN 81 Cb 0.34 0.67 0.07 0.00 -2.08 0.00 0.00 39.78 38.79 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 -0.60 -2.36 -3.60 0.53 7.64 -1.03 -4.07 113.62 110.13 1gpx n SER 82 Ca 0.05 0.46 -0.04 0.00 1.01 0.00 0.00 58.87 60.35 1gpx n SER 82 Cb 0.31 -1.12 -0.02 0.00 -1.01 0.00 0.00 64.21 62.37 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 -2.74 0.30 0.22 1.43 3.52 0.10 -4.91 118.95 116.87 1gpx s ARG 83 Ca 0.59 -0.09 -0.30 0.00 -0.13 0.00 0.00 55.73 55.80 1gpx s ARG 83 Cb -0.30 0.14 -0.09 0.00 -1.56 0.00 0.00 34.95 33.15 1gpx s ARG 83 CO 0.65 -0.13 0.98 -0.51 -0.81 0.00 0.00 175.30 175.48 1gpx s LEU 84 N -2.04 4.60 0.51 -0.88 1.43 -1.26 0.20 118.68 121.24 1gpx s LEU 84 Ca 0.09 1.98 0.37 0.00 -1.03 0.00 0.00 54.13 55.55 1gpx s LEU 84 Cb -0.01 -3.61 1.53 0.00 0.03 0.00 0.00 46.19 44.13 1gpx s LEU 84 CO -0.05 0.06 1.70 0.77 0.23 0.00 0.00 176.35 179.06 1gpx h SER 85 N 4.37 0.10 -0.98 2.29 4.64 0.59 0.37 113.55 124.92 1gpx h SER 85 Ca -0.45 0.04 -0.67 0.00 -0.47 0.00 0.00 61.79 60.24 1gpx h SER 85 Cb 1.20 0.02 -0.30 0.00 -0.31 0.00 0.00 62.40 63.02 1gpx h SER 85 CO 0.69 -0.02 0.78 0.00 -0.87 0.00 0.00 176.83 177.40 1gpx n GLN 87 N -0.92 0.00 -3.02 0.00 1.13 0.13 -3.47 117.38 111.23 1gpx n GLN 87 Ca 0.62 0.00 -0.33 0.00 -1.94 0.00 0.00 57.00 55.35 1gpx n GLN 87 Cb 0.72 -0.65 -0.06 0.00 0.11 0.00 0.00 30.24 30.35 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 -1.80 4.56 0.26 5.09 1.01 -1.25 -4.96 121.20 124.11 1gpx s ILE 88 Ca 0.00 1.18 0.09 0.00 0.00 0.00 0.00 60.65 61.92 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 -0.18 0.06 -0.63 0.00 0.00 0.00 174.94 174.19 1gpx s ILE 89 N -1.99 3.73 -0.29 2.92 -1.09 -1.26 -2.63 121.20 120.59 1gpx s ILE 89 Ca 0.56 -1.76 -0.05 0.00 -2.23 0.00 0.00 60.65 57.16 1gpx s ILE 89 Cb -0.11 -3.01 0.02 0.00 -1.58 0.00 0.00 42.46 37.78 1gpx s ILE 89 CO 0.17 -0.36 0.05 -0.32 -1.23 0.00 0.00 174.94 173.24 1gpx s MET 90 N -3.73 2.93 0.57 2.79 1.75 0.78 -4.86 119.30 119.54 1gpx s MET 90 Ca 0.32 -0.95 -0.01 0.00 -1.25 0.00 0.00 55.69 53.80 1gpx s MET 90 Cb -0.07 -3.29 0.03 0.00 2.84 0.00 0.00 34.83 34.34 1gpx s MET 90 CO 0.21 -0.48 0.82 0.95 -0.65 0.00 0.00 175.02 175.88 1gpx s THR 91 N 1.43 2.78 -1.12 10.11 -4.23 -1.25 -2.37 115.64 120.99 1gpx s THR 91 Ca 0.01 -0.54 0.19 0.00 -1.18 0.00 0.00 61.69 60.17 1gpx s THR 91 Cb -0.18 -3.07 0.20 0.00 1.34 0.00 0.00 72.50 70.79 1gpx s THR 91 CO 0.01 -0.06 1.59 -0.81 -0.54 0.00 0.00 174.62 174.81 1gpx n PRO 92 N -2.44 0.07 -0.07 3.99 -0.04 -1.26 -3.57 135.00 131.69 1gpx n PRO 92 Ca 0.07 0.16 -0.10 0.00 -0.04 0.00 0.00 63.50 63.59 1gpx n PRO 92 Cb 0.60 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.50 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 -1.44 0.32 -0.71 0.54 -0.00 -1.26 -4.65 120.64 113.43 1gpx n GLU 93 Ca 0.06 0.08 -0.15 0.00 -0.00 0.00 0.00 57.16 57.15 1gpx n GLU 93 Cb 0.20 -1.22 -0.07 0.00 -0.00 0.00 0.00 31.44 30.35 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 -3.00 4.24 -4.91 -1.84 4.77 -1.23 -4.87 117.00 110.16 1gpx n LEU 94 Ca -0.24 -2.58 -0.25 0.00 -0.03 0.00 0.00 56.01 52.91 1gpx n LEU 94 Cb 0.74 -1.01 -0.03 0.00 -2.33 0.00 0.00 43.42 40.78 1gpx n LEU 94 CO 0.11 0.86 -0.12 1.51 -1.33 0.00 0.00 177.39 178.43 1gpx s ASP 95 N 2.74 6.12 0.00 -1.43 -4.77 -1.26 -4.53 116.67 113.53 1gpx s ASP 95 Ca 0.43 0.06 0.00 0.00 -3.30 0.00 0.00 52.55 49.74 1gpx s ASP 95 Cb 0.16 -1.77 0.00 0.00 -1.09 0.00 0.00 42.92 40.22 1gpx s ASP 95 CO -0.02 0.03 0.00 0.61 0.70 0.00 0.00 175.17 176.49 1gpx n GLY 96 N -0.71 1.35 3.86 2.12 0.00 -0.77 -4.79 105.19 106.24 1gpx n GLY 96 Ca -0.08 -0.26 -0.32 0.00 0.00 0.00 0.00 46.02 45.37 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 4.62 -0.11 -0.61 2.07 -1.05 -4.96 121.20 119.14 1gpx s ILE 97 Ca 0.00 1.06 0.02 0.00 -1.41 0.00 0.00 60.65 60.32 1gpx s ILE 97 Cb 0.00 -3.79 0.01 0.00 0.13 0.00 0.00 42.46 38.81 1gpx s ILE 97 CO 0.00 -0.91 -0.17 -0.69 -1.91 0.00 0.00 174.94 171.27 1gpx s VAL 98 N -2.89 1.62 0.36 4.00 1.01 -1.26 -2.01 120.40 121.23 1gpx s VAL 98 Ca 0.57 -0.71 0.05 0.00 0.00 0.00 0.00 61.98 61.89 1gpx s VAL 98 Cb -0.10 -1.46 0.05 0.00 0.00 0.00 0.00 36.38 34.86 1gpx s VAL 98 CO 0.42 0.46 0.41 0.52 0.00 0.00 0.00 175.10 176.92 1gpx n VAL 99 N 4.17 0.00 -3.63 2.92 0.31 0.63 0.80 118.33 123.53 1gpx n VAL 99 Ca -0.19 -1.28 -0.12 0.00 -0.01 0.00 0.00 64.34 62.74 1gpx n VAL 99 Cb 0.51 -0.51 -0.07 0.00 -0.91 0.00 0.00 33.84 32.86 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 -3.18 -0.68 -0.31 4.52 1.01 0.78 -2.11 116.67 116.70 1gpx s ASP 100 Ca 0.31 1.30 -0.20 0.00 0.71 0.00 0.00 52.55 54.67 1gpx s ASP 100 Cb -0.02 1.31 -0.01 0.00 1.01 0.00 0.00 42.92 45.21 1gpx s ASP 100 CO 0.20 -0.22 0.62 -0.69 0.21 0.00 0.00 175.17 175.28 1gpx s VAL 101 N 0.43 4.95 0.72 -1.27 1.01 0.71 0.30 120.40 127.24 1gpx s VAL 101 Ca 0.00 0.81 -0.15 0.00 0.00 0.00 0.00 61.98 62.64 1gpx s VAL 101 Cb -0.05 -3.99 0.03 0.00 0.00 0.00 0.00 36.38 32.37 1gpx s VAL 101 CO -0.02 -0.15 1.17 -2.16 0.00 0.00 0.00 175.10 173.95 1gpx s PRO 102 N 2.59 2.29 -0.72 2.72 0.04 -1.26 -2.11 135.00 138.55 1gpx s PRO 102 Ca 0.24 1.64 -0.09 0.00 0.04 0.00 0.00 61.00 62.83 1gpx s PRO 102 Cb -0.15 -1.86 0.19 0.00 0.04 0.00 0.00 34.50 32.71 1gpx s PRO 102 CO 0.12 -1.70 0.60 0.16 0.04 0.00 0.00 177.00 176.22 1gpx s ASP 103 N -2.23 6.05 -0.55 6.66 -4.77 -1.26 -4.78 116.67 115.78 1gpx s ASP 103 Ca 0.72 -2.69 0.02 0.00 -3.30 0.00 0.00 52.55 47.29 1gpx s ASP 103 Cb -0.26 -2.05 0.42 0.00 -1.09 0.00 0.00 42.92 39.94 1gpx s ASP 103 CO 0.45 -0.50 1.59 0.54 0.70 0.00 0.00 175.17 177.95 1gpx n ARG 104 N 3.85 3.13 0.00 2.11 5.12 -1.26 -4.50 116.66 125.11 1gpx n ARG 104 Ca 0.09 -3.86 0.00 0.00 -1.93 0.00 0.00 57.85 52.15 1gpx n ARG 104 Cb 0.43 -2.27 0.00 0.00 -1.16 0.00 0.00 32.46 29.45 1gpx n ARG 104 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1gpx n GLN 105 N -0.67 0.13 0.00 5.56 -0.00 -1.26 -4.93 117.38 116.20 1gpx n GLN 105 Ca 0.50 -0.78 0.14 0.00 -0.00 0.00 0.00 57.00 56.86 1gpx n GLN 105 Cb 0.65 -1.00 0.55 0.00 -0.00 0.00 0.00 30.24 30.44 1gpx n GLN 105 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 177.06 178.93