#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gjx n LEU 2 N 0.00 -0.71 -3.83 0.00 4.32 -0.81 -5.01 117.00 110.96 1gjx n LEU 2 Ca 0.00 1.61 -0.09 0.00 -0.02 0.00 0.00 56.01 57.50 1gjx n LEU 2 Cb 0.00 -4.11 -0.06 0.00 -1.62 0.00 0.00 43.42 37.62 1gjx n LEU 2 CO 0.00 -2.75 0.02 -0.69 -1.22 0.00 0.00 177.39 172.75 1gjx s VAL 3 N -2.94 0.09 -0.23 4.08 1.01 0.70 -4.88 120.40 118.24 1gjx s VAL 3 Ca 0.00 -1.08 -0.02 0.00 0.00 0.00 0.00 61.98 60.88 1gjx s VAL 3 Cb 0.00 -1.47 0.07 0.00 0.00 0.00 0.00 36.38 34.98 1gjx s VAL 3 CO 0.00 -0.43 0.06 -1.83 0.00 0.00 0.00 175.10 172.90 1gjx s GLU 4 N -3.88 0.64 0.66 2.72 -1.05 -1.26 0.61 118.70 117.13 1gjx s GLU 4 Ca 0.09 -0.58 -0.09 0.00 -0.15 0.00 0.00 54.97 54.23 1gjx s GLU 4 Cb 0.03 -2.01 0.14 0.00 -0.44 0.00 0.00 34.13 31.86 1gjx s GLU 4 CO -0.07 -0.75 0.31 1.28 0.95 0.00 0.00 175.26 176.98 1gjx n LEU 5 N 5.02 0.00 -3.61 1.83 7.99 0.43 -4.84 117.00 123.82 1gjx n LEU 5 Ca -0.07 -0.32 -0.12 0.00 -0.01 0.00 0.00 56.01 55.49 1gjx n LEU 5 Cb 0.45 -0.48 -0.07 0.00 -0.11 0.00 0.00 43.42 43.22 1gjx n LEU 5 CO 0.12 -2.03 0.61 -0.54 -1.51 0.00 0.00 177.39 174.03 1gjx s LYS 6 N -3.02 0.69 0.25 3.23 1.02 -1.26 -3.39 119.74 117.26 1gjx s LYS 6 Ca 0.24 0.61 -0.29 0.00 0.02 0.00 0.00 55.97 56.55 1gjx s LYS 6 Cb -0.04 0.33 -0.15 0.00 -0.52 0.00 0.00 37.83 37.46 1gjx s LYS 6 CO 0.20 -0.13 1.03 0.28 -0.92 0.00 0.00 175.35 175.82 1gjx n VAL 7 N 1.97 1.68 -0.45 3.17 0.31 -1.26 -4.70 118.33 119.05 1gjx n VAL 7 Ca -0.13 -0.42 0.00 0.00 -0.01 0.00 0.00 64.34 63.78 1gjx n VAL 7 Cb 0.56 -0.92 0.00 0.00 -0.91 0.00 0.00 33.84 32.57 1gjx n VAL 7 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 1gjx n PRO 8 N 1.05 -0.22 -2.63 5.55 -0.04 -1.26 -3.01 135.00 134.44 1gjx n PRO 8 Ca 0.11 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 63.15 1gjx n PRO 8 Cb 0.30 0.00 0.01 0.00 -0.04 0.00 0.00 33.50 33.76 1gjx n PRO 8 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1gjx n ASP 9 N -2.12 5.94 0.32 3.54 8.00 -1.26 -4.47 116.55 126.50 1gjx n ASP 9 Ca 0.00 -3.28 0.17 0.00 0.71 0.00 0.00 54.79 52.40 1gjx n ASP 9 Cb 0.00 -1.37 0.93 0.00 -0.02 0.00 0.00 41.12 40.67 1gjx n ASP 9 CO 0.00 0.00 0.00 0.16 -0.39 0.00 0.00 177.20 176.97 1gjx h ILE 10 N 3.47 0.00 0.00 0.53 -0.00 -1.91 -3.43 117.51 116.18 1gjx h ILE 10 Ca 0.33 0.00 0.00 0.00 -0.00 0.00 0.00 64.86 65.19 1gjx h ILE 10 Cb 0.59 0.76 0.00 0.00 -0.00 0.00 0.00 36.82 38.17 1gjx h ILE 10 CO 1.47 0.00 0.00 0.61 -0.00 0.00 0.00 178.15 180.23 1gjx n GLY 11 N -1.18 3.07 0.00 0.16 0.00 -1.26 -3.74 105.19 102.24 1gjx n GLY 11 Ca -0.02 -0.84 0.00 0.00 0.00 0.00 0.00 46.02 45.16 1gjx n GLY 11 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1gjx n GLY 12 N 0.00 -1.81 0.00 -0.02 0.00 -1.26 -5.06 105.19 97.04 1gjx n GLY 12 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1gjx n GLY 12 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1gjx n HIS 13 N -0.12 0.00 -4.17 1.61 1.44 -1.26 -5.10 115.22 107.62 1gjx n HIS 13 Ca 0.00 0.00 -0.28 0.00 -2.01 0.00 0.00 57.72 55.43 1gjx n HIS 13 Cb 0.00 0.00 -0.03 0.00 0.12 0.00 0.00 29.99 30.08 1gjx n HIS 13 CO 0.00 0.00 0.00 -1.83 -2.81 0.00 0.00 176.34 171.70 1gjx s GLU 14 N 0.00 2.24 -0.81 -1.40 -1.05 -1.26 -1.58 118.70 114.83 1gjx s GLU 14 Ca 0.00 -2.11 -0.00 0.00 -0.15 0.00 0.00 54.97 52.71 1gjx s GLU 14 Cb 0.00 -1.92 0.00 0.00 -0.44 0.00 0.00 34.13 31.77 1gjx s GLU 14 CO 0.00 -0.48 0.63 0.27 0.95 0.00 0.00 175.26 176.63 1gjx n ASN 15 N -1.55 -5.48 -4.03 0.83 6.94 -0.34 -4.86 115.26 106.75 1gjx n ASN 15 Ca -0.07 -0.78 -0.28 0.00 -0.02 0.00 0.00 54.58 53.43 1gjx n ASN 15 Cb 0.65 -2.47 -0.17 0.00 -2.36 0.00 0.00 39.78 35.43 1gjx n ASN 15 CO 0.00 0.00 0.00 0.68 -1.03 0.00 0.00 177.26 176.91 1gjx s VAL 16 N -3.00 1.42 -0.04 3.53 -7.23 0.47 -4.75 120.40 110.79 1gjx s VAL 16 Ca 0.01 -0.59 -0.30 0.00 -1.81 0.00 0.00 61.98 59.29 1gjx s VAL 16 Cb -0.00 -1.31 -0.05 0.00 0.56 0.00 0.00 36.38 35.58 1gjx s VAL 16 CO 0.87 0.43 1.45 -1.81 -0.31 0.00 0.00 175.10 175.72 1gjx s ASP 17 N 1.07 6.81 1.01 4.85 1.01 -1.22 0.16 116.67 130.36 1gjx s ASP 17 Ca -0.05 2.08 -0.11 0.00 0.71 0.00 0.00 52.55 55.18 1gjx s ASP 17 Cb -0.15 -2.55 0.20 0.00 1.01 0.00 0.00 42.92 41.43 1gjx s ASP 17 CO -0.02 -0.78 1.09 -0.63 0.21 0.00 0.00 175.17 175.03 1gjx s ILE 18 N 3.01 2.16 0.00 0.77 1.01 -0.76 -3.33 121.20 124.06 1gjx s ILE 18 Ca 0.65 0.05 0.00 0.00 0.00 0.00 0.00 60.65 61.35 1gjx s ILE 18 Cb -0.30 -2.16 0.00 0.00 0.01 0.00 0.00 42.46 40.01 1gjx s ILE 18 CO 0.25 -0.07 0.00 2.30 0.00 0.00 0.00 174.94 177.42 1gjx n ILE 19 N -4.45 0.00 -3.70 2.92 -5.35 0.40 -4.40 119.36 104.79 1gjx n ILE 19 Ca 0.08 -0.22 -0.14 0.00 -0.27 0.00 0.00 62.75 62.20 1gjx n ILE 19 Cb 0.53 0.77 -0.09 0.00 -1.74 0.00 0.00 39.64 39.12 1gjx n ILE 19 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1gjx s ALA 20 N -0.91 -1.15 -0.10 -1.28 0.00 0.48 -4.81 121.76 114.00 1gjx s ALA 20 Ca 0.00 1.02 -0.04 0.00 0.00 0.00 0.00 51.96 52.94 1gjx s ALA 20 Cb 0.00 -0.39 0.05 0.00 0.00 0.00 0.00 23.12 22.78 1gjx s ALA 20 CO 0.00 -0.26 0.21 0.54 0.00 0.00 0.00 175.76 176.25 1gjx s VAL 21 N -0.46 -0.25 -0.31 0.00 0.11 -1.26 -3.35 120.40 114.88 1gjx s VAL 21 Ca -0.06 0.27 0.19 0.00 -2.93 0.00 0.00 61.98 59.46 1gjx s VAL 21 Cb -0.03 -0.35 0.47 0.00 -1.53 0.00 0.00 36.38 34.93 1gjx s VAL 21 CO 0.03 0.11 0.99 -1.84 -3.33 0.00 0.00 175.10 171.07 1gjx n GLU 22 N 5.01 1.27 -3.69 1.54 0.28 -1.18 -5.00 120.64 118.88 1gjx n GLU 22 Ca -0.11 -3.30 -0.15 0.00 -0.16 0.00 0.00 57.16 53.44 1gjx n GLU 22 Cb 0.50 -1.32 -0.14 0.00 1.43 0.00 0.00 31.44 31.91 1gjx n GLU 22 CO 0.00 0.00 0.00 0.14 -0.16 0.00 0.00 177.13 177.11 1gjx s VAL 23 N -3.26 -0.23 -0.06 3.84 -7.23 -1.26 -5.00 120.40 107.19 1gjx s VAL 23 Ca 0.27 0.27 0.09 0.00 -1.81 0.00 0.00 61.98 60.81 1gjx s VAL 23 Cb 0.43 -0.33 0.14 0.00 0.56 0.00 0.00 36.38 37.18 1gjx s VAL 23 CO 0.02 0.11 1.05 -3.20 -0.31 0.00 0.00 175.10 172.77 1gjx n ASN 24 N 4.96 1.33 -1.93 4.85 5.15 -1.26 -4.97 115.26 123.39 1gjx n ASN 24 Ca -0.12 -2.49 0.00 0.00 -0.60 0.00 0.00 54.58 51.37 1gjx n ASN 24 Cb 0.51 -0.29 0.00 0.00 -0.53 0.00 0.00 39.78 39.47 1gjx n ASN 24 CO 0.00 0.00 0.00 0.52 1.40 0.00 0.00 177.26 179.18 1gjx n VAL 25 N -0.76-10.61 0.00 3.44 0.31 -1.26 -4.88 118.33 104.58 1gjx n VAL 25 Ca 0.08 2.42 0.00 0.00 -0.01 0.00 0.00 64.34 66.83 1gjx n VAL 25 Cb 0.62 -5.19 0.00 0.00 -0.91 0.00 0.00 33.84 28.37 1gjx n VAL 25 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1gjx n GLY 26 N 1.38 1.65 3.81 2.92 0.00 -0.95 -4.95 105.19 109.04 1gjx n GLY 26 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 1gjx n GLY 26 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1gjx s ASP 27 N -1.18 7.06 0.65 1.61 -1.08 -1.26 -4.77 116.67 117.69 1gjx s ASP 27 Ca 0.00 1.65 -0.14 0.00 -0.52 0.00 0.00 52.55 53.54 1gjx s ASP 27 Cb 0.00 -2.52 -0.01 0.00 -1.46 0.00 0.00 42.92 38.94 1gjx s ASP 27 CO 0.00 -0.20 1.08 -0.89 0.52 0.00 0.00 175.17 175.68 1gjx s THR 28 N -1.90 3.52 -0.03 1.71 2.01 -1.26 -3.18 115.64 116.51 1gjx s THR 28 Ca 0.55 0.67 -0.06 0.00 0.31 0.00 0.00 61.69 63.16 1gjx s THR 28 Cb -0.13 -3.21 0.01 0.00 0.01 0.00 0.00 72.50 69.18 1gjx s THR 28 CO 0.18 -0.48 0.14 0.27 -0.69 0.00 0.00 174.62 174.04 1gjx s ILE 29 N -2.51 0.04 0.48 1.82 -5.25 -0.37 -4.96 121.20 110.46 1gjx s ILE 29 Ca 0.64 -0.31 0.00 0.00 -0.99 0.00 0.00 60.65 60.00 1gjx s ILE 29 Cb -0.18 -0.30 0.00 0.00 2.95 0.00 0.00 42.46 44.93 1gjx s ILE 29 CO 0.43 -0.17 0.01 0.00 -1.79 0.00 0.00 174.94 173.42 1gjx n ALA 30 N 2.34 0.42 -1.20 2.27 0.00 -1.23 -2.28 120.51 120.82 1gjx n ALA 30 Ca -0.17 -2.15 -0.19 0.00 0.00 0.00 0.00 53.44 50.93 1gjx n ALA 30 Cb 0.57 1.17 -0.09 0.00 0.00 0.00 0.00 19.45 21.11 1gjx n ALA 30 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1gjx n VAL 31 N -1.21 3.08 0.00 0.00 0.31 -0.31 -3.61 118.33 116.59 1gjx n VAL 31 Ca -0.19 -2.18 0.00 0.00 -0.01 0.00 0.00 64.34 61.95 1gjx n VAL 31 Cb 0.61 -1.72 0.00 0.00 -0.91 0.00 0.00 33.84 31.82 1gjx n VAL 31 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 1gjx n ASP 32 N 1.46 0.00 -3.48 4.52 5.68 -1.19 -4.91 116.55 118.65 1gjx n ASP 32 Ca 0.42 0.00 -0.04 0.00 -0.50 0.00 0.00 54.79 54.67 1gjx n ASP 32 Cb 0.69 0.00 -0.06 0.00 -1.14 0.00 0.00 41.12 40.61 1gjx n ASP 32 CO 0.00 0.00 0.00 1.51 -1.33 0.00 0.00 177.20 177.38 1gjx s ASP 33 N 0.00 -0.57 -0.25 -1.12 -4.77 0.43 -4.96 116.67 105.44 1gjx s ASP 33 Ca 0.00 0.91 -0.37 0.00 -3.30 0.00 0.00 52.55 49.79 1gjx s ASP 33 Cb 0.00 1.67 -0.13 0.00 -1.09 0.00 0.00 42.92 43.37 1gjx s ASP 33 CO 0.00 -0.25 1.91 0.35 0.70 0.00 0.00 175.17 177.88 1gjx n THR 34 N 5.41 0.35 -0.01 2.11 -2.24 -1.25 -1.84 114.28 116.81 1gjx n THR 34 Ca -0.06 -0.12 -0.22 0.00 -2.27 0.00 0.00 64.05 61.38 1gjx n THR 34 Cb 0.50 -1.51 -0.14 0.00 -2.10 0.00 0.00 70.33 67.08 1gjx n THR 34 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 1gjx h LEU 35 N 9.17 0.34 0.00 3.22 3.38 0.19 -3.47 115.31 128.14 1gjx h LEU 35 Ca -0.42 -0.83 -0.07 0.00 0.09 0.00 0.00 57.88 56.65 1gjx h LEU 35 Cb 1.31 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.94 1gjx h LEU 35 CO 0.98 1.66 0.21 2.30 0.09 0.00 0.00 178.44 183.68 1gjx n ILE 36 N -3.88 0.00 -3.65 1.22 -6.64 -1.24 -3.10 119.36 102.07 1gjx n ILE 36 Ca -0.28 -1.15 -0.21 0.00 -1.77 0.00 0.00 62.75 59.34 1gjx n ILE 36 Cb 0.91 1.02 -0.18 0.00 -1.44 0.00 0.00 39.64 39.96 1gjx n ILE 36 CO 0.00 0.00 0.00 -0.89 -1.77 0.00 0.00 176.55 173.89 1gjx s THR 37 N -2.22 -0.11 0.44 7.28 2.01 -1.21 -1.85 115.64 119.98 1gjx s THR 37 Ca 0.18 0.28 0.07 0.00 0.31 0.00 0.00 61.69 62.53 1gjx s THR 37 Cb -0.04 -0.26 -0.03 0.00 0.01 0.00 0.00 72.50 72.18 1gjx s THR 37 CO 0.14 0.06 0.26 -0.76 -0.69 0.00 0.00 174.62 173.63 1gjx s LEU 38 N 2.16 3.08 -0.13 4.42 1.02 0.29 0.15 118.68 129.67 1gjx s LEU 38 Ca 0.04 -1.05 -0.32 0.00 0.02 0.00 0.00 54.13 52.83 1gjx s LEU 38 Cb -0.13 -1.52 0.13 0.00 0.02 0.00 0.00 46.19 44.68 1gjx s LEU 38 CO -0.05 -0.68 1.09 -0.70 0.02 0.00 0.00 176.35 176.03 1gjx s GLU 39 N -4.03 0.49 0.00 1.70 2.12 -1.21 0.17 118.70 117.94 1gjx s GLU 39 Ca 0.40 -0.13 0.00 0.00 0.36 0.00 0.00 54.97 55.61 1gjx s GLU 39 Cb 0.01 0.23 0.00 0.00 0.26 0.00 0.00 34.13 34.63 1gjx s GLU 39 CO 0.23 -0.20 0.00 -2.37 -0.54 0.00 0.00 175.26 172.38 1gjx n THR 40 N 0.02 0.00 -2.04 -1.70 5.66 -1.21 -3.41 114.28 111.59 1gjx n THR 40 Ca -0.04 0.00 -0.00 0.00 -3.05 0.00 0.00 64.05 60.96 1gjx n THR 40 Cb 0.59 -0.01 -0.00 0.00 -1.55 0.00 0.00 70.33 69.36 1gjx n THR 40 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 175.07 172.49 1gjx n ASP 41 N -0.04 -0.00 0.00 1.09 9.92 -1.26 -4.93 116.55 121.33 1gjx n ASP 41 Ca 0.00 -1.57 0.00 0.00 -0.53 0.00 0.00 54.79 52.69 1gjx n ASP 41 Cb 0.00 -0.08 0.00 0.00 -0.64 0.00 0.00 41.12 40.40 1gjx n ASP 41 CO 0.00 0.00 0.00 1.17 0.13 0.00 0.00 177.20 178.50 1gjx n LYS 42 N 0.04 0.00 -3.80 -1.24 4.81 -1.26 -5.07 118.16 111.64 1gjx n LYS 42 Ca -0.02 0.00 -0.06 0.00 -0.87 0.00 0.00 58.31 57.37 1gjx n LYS 42 Cb 0.65 -0.46 -0.02 0.00 0.02 0.00 0.00 35.03 35.22 1gjx n LYS 42 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1gjx s ALA 43 N -1.52 -1.43 -0.28 3.14 0.00 -1.25 -5.10 121.76 115.33 1gjx s ALA 43 Ca 0.00 -0.07 -0.06 0.00 0.00 0.00 0.00 51.96 51.82 1gjx s ALA 43 Cb 0.00 0.75 0.00 0.00 0.00 0.00 0.00 23.12 23.87 1gjx s ALA 43 CO 0.00 -1.03 0.07 0.95 0.00 0.00 0.00 175.76 175.75 1gjx s THR 44 N -3.62 3.94 0.35 0.00 -4.23 -1.26 -3.35 115.64 107.46 1gjx s THR 44 Ca 0.11 -0.62 0.05 0.00 -1.18 0.00 0.00 61.69 60.06 1gjx s THR 44 Cb -0.04 -2.99 0.05 0.00 1.34 0.00 0.00 72.50 70.87 1gjx s THR 44 CO 0.04 0.14 0.46 0.80 -0.54 0.00 0.00 174.62 175.52 1gjx n MET 45 N 4.86 0.79 -3.67 3.99 1.56 0.44 -4.88 117.12 120.21 1gjx n MET 45 Ca -0.15 -1.90 0.00 0.00 -0.27 0.00 0.00 57.70 55.38 1gjx n MET 45 Cb 0.49 -0.10 -0.01 0.00 2.15 0.00 0.00 33.22 35.75 1gjx n MET 45 CO 0.00 0.00 0.00 0.16 -0.73 0.00 0.00 175.97 175.40 1gjx s ASP 46 N -3.14 -0.09 -0.11 6.12 1.47 -1.26 0.10 116.67 119.77 1gjx s ASP 46 Ca 0.35 -0.23 0.01 0.00 1.18 0.00 0.00 52.55 53.86 1gjx s ASP 46 Cb -0.03 0.26 0.02 0.00 -0.34 0.00 0.00 42.92 42.83 1gjx s ASP 46 CO 0.22 -0.48 -0.13 -0.69 0.68 0.00 0.00 175.17 174.76 1gjx s VAL 47 N -2.65 1.38 -0.34 2.11 1.01 -0.77 -4.80 120.40 116.34 1gjx s VAL 47 Ca 0.14 -0.56 0.03 0.00 0.00 0.00 0.00 61.98 61.59 1gjx s VAL 47 Cb 0.03 -1.28 0.31 0.00 0.00 0.00 0.00 36.38 35.44 1gjx s VAL 47 CO -0.02 0.42 1.30 -0.81 0.00 0.00 0.00 175.10 175.99 1gjx n PRO 48 N 4.34 1.89 -1.61 2.72 -0.04 -1.26 0.20 135.00 141.24 1gjx n PRO 48 Ca -0.18 -1.33 0.00 0.00 -0.04 0.00 0.00 63.50 61.95 1gjx n PRO 48 Cb 0.51 -1.61 -0.00 0.00 -0.04 0.00 0.00 33.50 32.36 1gjx n PRO 48 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1gjx n ALA 49 N -0.07 -1.99 -2.99 0.55 0.00 -0.77 0.16 120.51 115.40 1gjx n ALA 49 Ca 0.22 0.49 -0.17 0.00 0.00 0.00 0.00 53.44 53.99 1gjx n ALA 49 Cb 0.91 -1.48 -0.02 0.00 0.00 0.00 0.00 19.45 18.86 1gjx n ALA 49 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1gjx n GLU 50 N -2.65 0.72 -3.78 0.00 2.13 -1.26 -3.88 120.64 111.92 1gjx n GLU 50 Ca -0.00 -2.53 0.03 0.00 0.66 0.00 0.00 57.16 55.32 1gjx n GLU 50 Cb 0.49 -1.35 0.01 0.00 0.27 0.00 0.00 31.44 30.87 1gjx n GLU 50 CO 0.00 0.00 0.00 1.33 -0.41 0.00 0.00 177.13 178.05 1gjx n VAL 51 N 1.61 0.00 -3.01 6.31 0.24 -1.24 -4.99 118.33 117.25 1gjx n VAL 51 Ca 0.16 -0.07 -0.17 0.00 -2.04 0.00 0.00 64.34 62.22 1gjx n VAL 51 Cb 0.57 0.48 -0.01 0.00 -1.47 0.00 0.00 33.84 33.41 1gjx n VAL 51 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1gjx n ALA 52 N -1.20 0.84 -2.03 2.33 0.00 -1.25 -1.17 120.51 118.03 1gjx n ALA 52 Ca -0.09 -2.58 0.00 0.00 0.00 0.00 0.00 53.44 50.77 1gjx n ALA 52 Cb 0.51 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 18.93 1gjx n ALA 52 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1gjx n GLY 53 N 1.25 3.41 3.21 0.00 0.00 -0.97 0.19 105.19 112.28 1gjx n GLY 53 Ca 0.16 -0.07 -0.24 0.00 0.00 0.00 0.00 46.02 45.88 1gjx n GLY 53 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1gjx s VAL 54 N 0.58 1.49 0.39 1.61 1.01 -1.26 -1.23 120.40 122.98 1gjx s VAL 54 Ca 0.00 -1.09 -0.24 0.00 0.00 0.00 0.00 61.98 60.65 1gjx s VAL 54 Cb 0.00 -1.30 -0.09 0.00 0.00 0.00 0.00 36.38 34.99 1gjx s VAL 54 CO 0.00 0.18 1.02 -0.69 0.00 0.00 0.00 175.10 175.61 1gjx s VAL 55 N -0.76 3.87 -0.06 2.92 1.01 -1.19 0.15 120.40 126.35 1gjx s VAL 55 Ca 0.06 1.43 -0.02 0.00 0.00 0.00 0.00 61.98 63.45 1gjx s VAL 55 Cb -0.08 -3.74 -0.03 0.00 0.00 0.00 0.00 36.38 32.53 1gjx s VAL 55 CO 0.01 0.01 -0.07 0.29 0.00 0.00 0.00 175.10 175.34 1gjx n LYS 56 N 0.02 0.14 -4.09 2.72 4.76 0.45 -2.25 118.16 119.90 1gjx n LYS 56 Ca 0.04 0.05 -0.27 0.00 -2.87 0.00 0.00 58.31 55.27 1gjx n LYS 56 Cb 0.50 -0.84 -0.04 0.00 -1.84 0.00 0.00 35.03 32.80 1gjx n LYS 56 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 1gjx s GLU 57 N -2.12 2.26 -0.30 1.97 0.41 -1.17 -4.82 118.70 114.92 1gjx s GLU 57 Ca -0.09 -2.00 -0.12 0.00 -0.41 0.00 0.00 54.97 52.35 1gjx s GLU 57 Cb 0.03 -1.98 0.15 0.00 -1.78 0.00 0.00 34.13 30.55 1gjx s GLU 57 CO 0.12 -0.39 0.83 0.54 -0.49 0.00 0.00 175.26 175.87 1gjx s VAL 58 N -2.72 -0.73 -0.47 2.63 0.11 -1.23 -3.23 120.40 114.76 1gjx s VAL 58 Ca 0.32 0.00 0.08 0.00 -2.93 0.00 0.00 61.98 59.45 1gjx s VAL 58 Cb 0.00 -1.00 0.28 0.00 -1.53 0.00 0.00 36.38 34.14 1gjx s VAL 58 CO 0.19 0.00 0.68 0.29 -3.33 0.00 0.00 175.10 172.93 1gjx n LYS 59 N 5.20 1.56 -3.58 1.54 5.02 0.45 -4.95 118.16 123.41 1gjx n LYS 59 Ca -0.10 -3.84 -0.06 0.00 -2.02 0.00 0.00 58.31 52.29 1gjx n LYS 59 Cb 0.51 -1.72 -0.03 0.00 -0.02 0.00 0.00 35.03 33.77 1gjx n LYS 59 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1gjx s VAL 60 N -2.23 0.00 0.00 -0.18 0.11 -1.26 -4.62 120.40 112.22 1gjx s VAL 60 Ca 0.39 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.44 1gjx s VAL 60 Cb 0.22 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 34.07 1gjx s VAL 60 CO -0.08 0.00 0.00 1.17 -3.33 0.00 0.00 175.10 172.86 1gjx n LYS 61 N 0.10 0.00 -3.72 1.54 3.00 -1.26 -4.99 118.16 112.83 1gjx n LYS 61 Ca -0.03 0.00 -0.37 0.00 -0.00 0.00 0.00 58.31 57.91 1gjx n LYS 61 Cb 0.59 0.00 -0.10 0.00 0.00 0.00 0.00 35.03 35.52 1gjx n LYS 61 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 1gjx s VAL 62 N -2.44 3.58 0.00 3.15 1.01 -1.26 -4.48 120.40 119.95 1gjx s VAL 62 Ca 0.00 -2.40 0.00 0.00 0.00 0.00 0.00 61.98 59.58 1gjx s VAL 62 Cb 0.00 -3.39 0.00 0.00 0.00 0.00 0.00 36.38 32.99 1gjx s VAL 62 CO 0.00 -0.78 0.00 0.61 0.00 0.00 0.00 175.10 174.93 1gjx n GLY 63 N 4.18 0.92 3.97 4.51 0.00 -1.26 -5.08 105.19 112.43 1gjx n GLY 63 Ca 0.01 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.82 1gjx n GLY 63 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1gjx s ASP 64 N -0.25 5.99 0.04 1.61 -4.77 -1.26 -4.93 116.67 113.10 1gjx s ASP 64 Ca 0.00 0.11 -0.00 0.00 -3.30 0.00 0.00 52.55 49.35 1gjx s ASP 64 Cb 0.00 -1.51 -0.04 0.00 -1.09 0.00 0.00 42.92 40.28 1gjx s ASP 64 CO 0.00 -0.49 0.18 -1.59 0.70 0.00 0.00 175.17 173.97 1gjx s LYS 65 N -4.33 3.34 0.29 2.11 0.00 -1.26 -1.83 119.74 118.05 1gjx s LYS 65 Ca 0.45 -0.45 0.03 0.00 0.00 0.00 0.00 55.97 56.00 1gjx s LYS 65 Cb -0.10 -3.00 -0.04 0.00 0.00 0.00 0.00 37.83 34.70 1gjx s LYS 65 CO 0.34 0.62 0.19 -1.50 0.00 0.00 0.00 175.35 175.00 1gjx s ILE 66 N -1.42 0.14 -0.04 3.79 1.10 0.43 -4.72 121.20 120.48 1gjx s ILE 66 Ca 0.31 -2.00 -0.03 0.00 -0.51 0.00 0.00 60.65 58.42 1gjx s ILE 66 Cb -0.13 -2.50 0.01 0.00 0.15 0.00 0.00 42.46 40.00 1gjx s ILE 66 CO 0.24 0.00 0.11 -0.44 -2.11 0.00 0.00 174.94 172.74 1gjx s SER 67 N -3.32 -0.11 -0.49 4.50 0.01 -1.26 0.18 113.70 113.21 1gjx s SER 67 Ca 0.38 0.22 -0.45 0.00 1.31 0.00 0.00 55.95 57.41 1gjx s SER 67 Cb 0.05 0.21 -0.19 0.00 0.21 0.00 0.00 66.02 66.29 1gjx s SER 67 CO 0.19 -0.06 1.80 -0.62 0.41 0.00 0.00 173.24 174.96 1gjx n GLU 68 N 3.22 0.00 -2.22 12.44 1.02 -0.61 -2.66 120.64 131.83 1gjx n GLU 68 Ca -0.15 0.00 -0.02 0.00 -0.02 0.00 0.00 57.16 56.98 1gjx n GLU 68 Cb 0.58 -1.47 0.00 0.00 -0.02 0.00 0.00 31.44 30.53 1gjx n GLU 68 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1gjx n GLY 69 N 5.40 -0.86 1.61 0.62 0.00 -1.16 -4.85 105.19 105.95 1gjx n GLY 69 Ca 0.41 0.32 0.03 0.00 0.00 0.00 0.00 46.02 46.77 1gjx n GLY 69 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1gjx n GLY 70 N -0.96 1.63 2.91 -0.02 0.00 -1.09 -4.86 105.19 102.81 1gjx n GLY 70 Ca 0.03 -0.96 -0.01 0.00 0.00 0.00 0.00 46.02 45.07 1gjx n GLY 70 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1gjx n LEU 71 N 0.16 -5.47 0.00 0.99 7.94 -1.26 -4.92 117.00 114.45 1gjx n LEU 71 Ca 0.08 1.27 0.00 0.00 -1.11 0.00 0.00 56.01 56.25 1gjx n LEU 71 Cb 1.05 -2.36 0.00 0.00 0.53 0.00 0.00 43.42 42.64 1gjx n LEU 71 CO -0.02 -2.88 0.00 -0.38 -1.11 0.00 0.00 177.39 173.01 1gjx n ILE 72 N 1.65 0.00 -4.92 1.96 5.41 -1.22 -4.60 119.36 117.65 1gjx n ILE 72 Ca -0.11 0.26 -0.27 0.00 1.00 0.00 0.00 62.75 63.63 1gjx n ILE 72 Cb 0.29 -1.14 -0.16 0.00 -0.71 0.00 0.00 39.64 37.92 1gjx n ILE 72 CO 0.00 0.00 0.00 0.68 0.00 0.00 0.00 176.55 177.23 1gjx s VAL 73 N -0.51 1.53 -0.07 1.39 -7.23 -1.26 0.17 120.40 114.41 1gjx s VAL 73 Ca 0.00 -0.79 -0.03 0.00 -1.81 0.00 0.00 61.98 59.35 1gjx s VAL 73 Cb 0.00 -1.30 -0.04 0.00 0.56 0.00 0.00 36.38 35.61 1gjx s VAL 73 CO 0.00 0.44 0.05 -0.69 -0.31 0.00 0.00 175.10 174.58 1gjx s VAL 74 N -0.15 4.65 0.35 1.32 1.01 -1.20 0.16 120.40 126.54 1gjx s VAL 74 Ca 0.00 -0.19 0.04 0.00 0.00 0.00 0.00 61.98 61.83 1gjx s VAL 74 Cb -0.10 -3.01 -0.06 0.00 0.00 0.00 0.00 36.38 33.21 1gjx s VAL 74 CO 0.01 0.55 0.06 0.68 0.00 0.00 0.00 175.10 176.41 1gjx s VAL 75 N -0.98 1.15 -0.03 2.92 -7.23 0.20 0.17 120.40 116.60 1gjx s VAL 75 Ca 0.16 -2.00 -0.11 0.00 -1.81 0.00 0.00 61.98 58.22 1gjx s VAL 75 Cb -0.12 -2.72 -0.31 0.00 0.56 0.00 0.00 36.38 33.79 1gjx s VAL 75 CO 0.05 0.00 0.74 -0.08 -0.31 0.00 0.00 175.10 175.50 1gjx h GLU 76 N 2.02 0.40 -3.84 4.82 4.22 0.12 0.20 114.58 122.51 1gjx h GLU 76 Ca -0.40 -0.68 0.00 0.00 0.08 0.00 0.00 59.36 58.35 1gjx h GLU 76 Cb 1.25 0.25 0.00 0.00 0.50 0.00 0.00 28.75 30.76 1gjx h GLU 76 CO 0.69 1.31 -0.86 0.00 -2.18 0.00 0.00 179.01 177.97 1gjx n ALA 77 N -2.82 -1.86 -4.40 2.92 0.00 -1.26 -1.92 120.51 111.17 1gjx n ALA 77 Ca -0.22 0.43 -0.41 0.00 0.00 0.00 0.00 53.44 53.24 1gjx n ALA 77 Cb 1.08 -1.36 -0.08 0.00 0.00 0.00 0.00 19.45 19.10 1gjx n ALA 77 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1gjx n GLU 78 N -0.61 -0.76 -3.11 0.00 2.13 0.50 -4.54 120.64 114.25 1gjx n GLU 78 Ca 0.00 0.13 -0.25 0.00 0.66 0.00 0.00 57.16 57.70 1gjx n GLU 78 Cb 0.00 -4.54 -0.01 0.00 0.27 0.00 0.00 31.44 27.16 1gjx n GLU 78 CO 0.00 0.00 0.00 0.20 -0.41 0.00 0.00 177.13 176.92 1gjx s GLY 79 N -3.15 1.41 0.30 8.31 0.00 -1.16 -5.02 107.32 108.01 1gjx s GLY 79 Ca 0.79 -0.80 0.05 0.00 0.00 0.00 0.00 44.72 44.76 1gjx s GLY 79 CO 0.97 -0.70 0.02 -0.51 0.00 0.00 0.00 173.10 172.88 1gjx s THR 80 N -2.47 1.34 0.00 0.90 -4.23 -1.26 -4.93 115.64 104.99 1gjx s THR 80 Ca 0.43 -2.04 0.00 0.00 -1.18 0.00 0.00 61.69 58.90 1gjx s THR 80 Cb -0.10 -2.65 0.00 0.00 1.34 0.00 0.00 72.50 71.09 1gjx s THR 80 CO 0.39 -0.13 0.48 0.00 -0.54 0.00 0.00 174.62 174.82