#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jgk s LYS 2 N 0.00 1.65 -0.39 2.12 1.02 -1.25 -4.82 119.74 118.07 1jgk s LYS 2 Ca 0.00 -1.95 -0.13 0.00 0.02 0.00 0.00 55.97 53.91 1jgk s LYS 2 Cb 0.00 -0.25 0.02 0.00 -0.52 0.00 0.00 37.83 37.08 1jgk s LYS 2 CO 0.00 -0.43 0.26 0.00 -0.92 0.00 0.00 175.35 174.26 1jgk s LYS 4 N 1.64 4.18 -0.37 0.00 -2.85 -1.26 -0.25 119.74 120.82 1jgk s LYS 4 Ca 0.04 0.54 -0.14 0.00 -1.00 0.00 0.00 55.97 55.41 1jgk s LYS 4 Cb -0.19 -3.59 0.00 0.00 -2.06 0.00 0.00 37.83 32.00 1jgk s LYS 4 CO 0.09 -0.25 0.26 0.42 0.10 0.00 0.00 175.35 175.97 1jgk s ILE 5 N 1.95 5.21 0.00 3.79 1.01 0.49 -4.86 121.20 128.79 1jgk s ILE 5 Ca 0.27 -0.46 0.00 0.00 0.00 0.00 0.00 60.65 60.46 1jgk s ILE 5 Cb -0.16 -3.79 0.00 0.00 0.01 0.00 0.00 42.46 38.53 1jgk s ILE 5 CO 0.10 -0.15 0.00 0.00 0.00 0.00 0.00 174.94 174.88 1jgk n ASN 7 N -2.13 0.00 -3.30 0.00 3.02 0.29 -4.71 115.26 108.43 1jgk n ASN 7 Ca 0.00 0.00 -0.16 0.00 -0.03 0.00 0.00 54.58 54.39 1jgk n ASN 7 Cb 0.00 0.00 0.07 0.00 -0.61 0.00 0.00 39.78 39.24 1jgk n ASN 7 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 1jgk n PHE 8 N -0.05 -2.41 -1.29 3.10 3.72 -1.26 -1.84 117.46 117.44 1jgk n PHE 8 Ca 0.00 0.84 -0.10 0.00 -0.05 0.00 0.00 57.45 58.15 1jgk n PHE 8 Cb 0.00 -4.18 -0.04 0.00 -0.94 0.00 0.00 39.48 34.32 1jgk n PHE 8 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 1jgk n ASP 9 N -3.19 -2.53 0.00 4.37 9.92 -1.26 -4.69 116.55 119.17 1jgk n ASP 9 Ca -0.09 0.24 0.00 0.00 -0.53 0.00 0.00 54.79 54.40 1jgk n ASP 9 Cb 0.62 -2.50 0.00 0.00 -0.64 0.00 0.00 41.12 38.60 1jgk n ASP 9 CO 0.00 0.00 0.00 1.07 0.13 0.00 0.00 177.20 178.40 1jgk n THR 10 N -1.65 0.00 -3.14 -3.53 5.66 -0.76 -5.05 114.28 105.81 1jgk n THR 10 Ca -0.10 0.00 -0.36 0.00 -3.05 0.00 0.00 64.05 60.54 1jgk n THR 10 Cb 0.32 0.00 -0.03 0.00 -1.55 0.00 0.00 70.33 69.07 1jgk n THR 10 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1jgk h ARG 12 N 4.78 0.00 0.02 0.00 3.08 -1.87 -3.35 114.38 117.05 1jgk h ARG 12 Ca 0.22 0.00 -0.38 0.00 0.07 0.00 0.00 59.98 59.89 1jgk h ARG 12 Cb 0.61 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.60 1jgk h ARG 12 CO 1.12 0.00 -2.33 0.00 -1.07 0.00 0.00 179.97 177.69 1jgk n ALA 13 N -1.96 1.37 -3.89 0.04 0.00 -1.26 -4.99 120.51 109.82 1jgk n ALA 13 Ca 0.03 -1.05 -0.30 0.00 0.00 0.00 0.00 53.44 52.12 1jgk n ALA 13 Cb 0.48 -0.26 0.03 0.00 0.00 0.00 0.00 19.45 19.70 1jgk n ALA 13 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jgk n GLY 14 N 2.06 -0.49 3.47 0.00 0.00 -1.21 -4.86 105.19 104.15 1jgk n GLY 14 Ca -0.39 0.20 -0.44 0.00 0.00 0.00 0.00 46.02 45.39 1jgk n GLY 14 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1jgk s GLU 15 N -6.59 4.07 -0.05 1.61 2.56 0.05 -4.82 118.70 115.53 1jgk s GLU 15 Ca 0.64 -2.52 -0.06 0.00 0.00 0.00 0.00 54.97 53.03 1jgk s GLU 15 Cb -0.32 -5.09 -0.04 0.00 2.00 0.00 0.00 34.13 30.68 1jgk s GLU 15 CO 0.82 -1.80 0.20 -1.17 -0.56 0.00 0.00 175.26 172.76 1jgk s LEU 16 N 1.79 4.39 0.00 2.70 0.20 -1.26 -0.38 118.68 126.12 1jgk s LEU 16 Ca 0.43 0.50 0.00 0.00 0.69 0.00 0.00 54.13 55.75 1jgk s LEU 16 Cb -0.02 -2.39 0.00 0.00 -0.43 0.00 0.00 46.19 43.34 1jgk s LEU 16 CO 0.00 0.33 0.00 1.17 -0.29 0.00 0.00 176.35 177.56 1jgk n LYS 17 N 1.50 0.00 -3.85 1.98 4.81 0.65 -4.91 118.16 118.34 1jgk n LYS 17 Ca -0.15 0.00 -0.12 0.00 -0.87 0.00 0.00 58.31 57.17 1jgk n LYS 17 Cb 0.54 0.00 -0.10 0.00 0.02 0.00 0.00 35.03 35.49 1jgk n LYS 17 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 1jgk s VAL 18 N 0.55 0.08 0.00 3.15 1.01 -1.26 -1.08 120.40 122.85 1jgk s VAL 18 Ca 0.00 -0.64 0.00 0.00 0.00 0.00 0.00 61.98 61.34 1jgk s VAL 18 Cb 0.00 -0.47 0.00 0.00 0.00 0.00 0.00 36.38 35.91 1jgk s VAL 18 CO 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 175.10 174.75 1jgk n ALA 20 N -3.00 -0.52 -0.48 0.00 0.00 -1.26 -4.70 120.51 110.55 1jgk n ALA 20 Ca 0.00 0.11 0.43 0.00 0.00 0.00 0.00 53.44 53.98 1jgk n ALA 20 Cb 0.00 -1.17 0.77 0.00 0.00 0.00 0.00 19.45 19.06 1jgk n ALA 20 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1jgk h SER 21 N 0.00 0.00 0.00 0.00 0.87 -1.83 -3.38 113.55 109.21 1jgk h SER 21 Ca -0.21 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.35 1jgk h SER 21 Cb 0.91 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.87 1jgk h SER 21 CO 0.27 0.00 0.00 0.61 -0.53 0.00 0.00 176.83 177.18 1jgk n GLY 22 N -1.83 -1.84 0.00 5.77 0.00 -1.26 -5.07 105.19 100.96 1jgk n GLY 22 Ca 0.33 0.82 0.00 0.00 0.00 0.00 0.00 46.02 47.18 1jgk n GLY 22 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1jgk n GLU 23 N 0.00 0.00 -3.85 1.61 1.02 -1.26 -5.15 120.64 113.01 1jgk n GLU 23 Ca 0.00 0.00 -0.23 0.00 -0.02 0.00 0.00 57.16 56.91 1jgk n GLU 23 Cb 0.00 0.00 -0.05 0.00 -0.02 0.00 0.00 31.44 31.37 1jgk n GLU 23 CO 0.00 0.00 0.00 -1.59 1.18 0.00 0.00 177.13 176.72 1jgk s LYS 24 N 0.00 2.37 0.42 3.49 0.00 -1.26 -4.98 119.74 119.78 1jgk s LYS 24 Ca 0.00 -1.70 0.05 0.00 0.00 0.00 0.00 55.97 54.33 1jgk s LYS 24 Cb 0.00 -2.17 -0.06 0.00 0.00 0.00 0.00 37.83 35.60 1jgk s LYS 24 CO 0.00 -0.16 0.02 1.52 0.00 0.00 0.00 175.35 176.73 1jgk s TYR 25 N -2.54 2.27 0.20 1.78 -0.85 0.38 -4.08 117.35 114.52 1jgk s TYR 25 Ca 0.45 -0.80 -0.30 0.00 -0.52 0.00 0.00 57.07 55.90 1jgk s TYR 25 Cb 0.00 -1.65 -0.08 0.00 0.38 0.00 0.00 41.96 40.62 1jgk s TYR 25 CO 0.25 0.31 1.04 0.00 -1.52 0.00 0.00 175.55 175.63 1jgk s PHE 27 N -0.61 1.63 -0.13 0.00 -0.71 0.17 -0.63 117.98 117.69 1jgk s PHE 27 Ca 0.46 -0.32 -0.02 0.00 -1.04 0.00 0.00 56.93 56.00 1jgk s PHE 27 Cb -0.28 -1.03 0.05 0.00 -1.21 0.00 0.00 43.02 40.55 1jgk s PHE 27 CO 0.35 -0.00 0.03 0.15 -1.34 0.00 0.00 175.22 174.40 1jgk s LYS 28 N -0.60 0.55 0.04 1.99 1.02 0.14 -1.11 119.74 121.78 1jgk s LYS 28 Ca 0.07 -0.13 0.06 0.00 0.02 0.00 0.00 55.97 55.98 1jgk s LYS 28 Cb -0.07 -1.55 -0.03 0.00 -0.52 0.00 0.00 37.83 35.66 1jgk s LYS 28 CO -0.00 -0.49 -0.13 -1.21 -0.92 0.00 0.00 175.35 172.60 1jgk s GLU 29 N 1.95 2.23 -0.15 1.68 2.02 -0.12 0.20 118.70 126.50 1jgk s GLU 29 Ca 0.02 -0.91 0.00 0.00 0.02 0.00 0.00 54.97 54.10 1jgk s GLU 29 Cb -0.15 -2.31 0.02 0.00 0.10 0.00 0.00 34.13 31.79 1jgk s GLU 29 CO -0.07 0.55 -0.14 0.45 0.02 0.00 0.00 175.26 176.07 1jgk s SER 30 N -1.62 2.76 0.19 -0.19 0.15 0.13 -0.87 113.70 114.25 1jgk s SER 30 Ca 0.17 -0.52 -0.23 0.00 0.70 0.00 0.00 55.95 56.06 1jgk s SER 30 Cb -0.11 -1.20 -0.08 0.00 -1.71 0.00 0.00 66.02 62.92 1jgk s SER 30 CO 0.08 -0.06 0.76 0.26 1.20 0.00 0.00 173.24 175.48 1jgk s TRP 31 N 1.47 3.81 -0.32 3.44 0.23 0.14 -0.66 118.94 127.05 1jgk s TRP 31 Ca 0.05 1.55 -0.00 0.00 -2.03 0.00 0.00 56.10 55.66 1jgk s TRP 31 Cb -0.13 -2.72 0.07 0.00 0.03 0.00 0.00 33.47 30.72 1jgk s TRP 31 CO -0.11 0.45 0.02 1.03 0.96 0.00 0.00 176.95 179.30 1jgk s ARG 32 N -1.45 2.19 0.54 4.98 0.52 -1.23 -1.05 118.95 123.46 1jgk s ARG 32 Ca 0.38 -1.47 0.05 0.00 -0.52 0.00 0.00 55.73 54.18 1jgk s ARG 32 Cb -0.21 -3.20 0.04 0.00 0.52 0.00 0.00 34.95 32.10 1jgk s ARG 32 CO 0.24 -0.74 0.41 -1.21 0.02 0.00 0.00 175.30 174.02 1jgk s GLU 33 N 1.16 2.26 0.27 3.54 2.02 -0.45 -4.67 118.70 122.83 1jgk s GLU 33 Ca -0.01 -2.01 0.19 0.00 0.02 0.00 0.00 54.97 53.15 1jgk s GLU 33 Cb -0.20 -2.10 0.09 0.00 0.10 0.00 0.00 34.13 32.02 1jgk s GLU 33 CO -0.03 -0.62 1.29 0.00 0.02 0.00 0.00 175.26 175.92 1jgk h ALA 34 N 0.75 0.72 0.00 5.21 0.00 -1.98 -3.26 119.26 120.70 1jgk h ALA 34 Ca -0.37 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.24 1jgk h ALA 34 Cb 1.30 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.12 1jgk h ALA 34 CO 0.57 0.36 -0.49 -2.13 0.00 0.00 0.00 179.25 177.56 1jgk n ARG 35 N -3.01 0.26 -0.91 0.00 0.63 -1.26 -5.03 116.66 107.35 1jgk n ARG 35 Ca 0.00 0.10 0.00 0.00 -0.92 0.00 0.00 57.85 57.03 1jgk n ARG 35 Cb 0.66 -1.69 0.00 0.00 0.45 0.00 0.00 32.46 31.88 1jgk n ARG 35 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1jgk n GLY 36 N 1.35 -0.56 2.96 5.14 0.00 -1.23 -5.15 105.19 107.70 1jgk n GLY 36 Ca 0.04 -0.73 -0.12 0.00 0.00 0.00 0.00 46.02 45.21 1jgk n GLY 36 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1jgk s THR 37 N -3.76 0.02 0.38 2.61 2.01 -1.26 -1.33 115.64 114.30 1jgk s THR 37 Ca 0.00 -0.16 0.08 0.00 0.31 0.00 0.00 61.69 61.92 1jgk s THR 37 Cb 0.00 -0.14 -0.07 0.00 0.01 0.00 0.00 72.50 72.29 1jgk s THR 37 CO 0.00 -0.09 -0.04 -0.13 -0.69 0.00 0.00 174.62 173.67 1jgk s ARG 38 N -0.26 1.90 0.03 4.92 1.81 -0.21 -4.76 118.95 122.38 1jgk s ARG 38 Ca -0.03 -2.02 -0.23 0.00 -1.72 0.00 0.00 55.73 51.73 1jgk s ARG 38 Cb -0.02 -1.68 0.05 0.00 -0.45 0.00 0.00 34.95 32.85 1jgk s ARG 38 CO 0.00 0.04 0.52 -1.50 -0.68 0.00 0.00 175.30 173.69 1jgk s ILE 39 N -2.66 0.03 -0.11 1.52 2.07 -1.26 0.24 121.20 121.03 1jgk s ILE 39 Ca 0.34 -0.23 -0.22 0.00 -1.41 0.00 0.00 60.65 59.13 1jgk s ILE 39 Cb 0.06 -0.95 0.05 0.00 0.13 0.00 0.00 42.46 41.75 1jgk s ILE 39 CO 0.17 -0.13 0.54 -1.61 -1.91 0.00 0.00 174.94 172.01 1jgk s GLU 40 N -2.19 0.79 0.36 3.50 0.41 -0.05 -4.81 118.70 116.71 1jgk s GLU 40 Ca -0.07 0.38 0.03 0.00 -0.41 0.00 0.00 54.97 54.91 1jgk s GLU 40 Cb -0.01 0.37 -0.04 0.00 -1.78 0.00 0.00 34.13 32.68 1jgk s GLU 40 CO 0.00 -0.19 0.12 1.03 -0.49 0.00 0.00 175.26 175.74 1jgk s ARG 41 N -0.57 1.76 0.00 1.61 0.52 -1.26 -0.94 118.95 120.06 1jgk s ARG 41 Ca -0.07 -2.03 0.00 0.00 -0.52 0.00 0.00 55.73 53.11 1jgk s ARG 41 Cb -0.03 -0.54 0.00 0.00 0.52 0.00 0.00 34.95 34.90 1jgk s ARG 41 CO 0.05 -0.39 0.00 0.41 0.02 0.00 0.00 175.30 175.38 1jgk n GLY 42 N -0.76 -0.79 3.31 -3.53 0.00 -0.26 -4.97 105.19 98.19 1jgk n GLY 42 Ca -0.03 -1.14 -0.34 0.00 0.00 0.00 0.00 46.02 44.51 1jgk n GLY 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jgk n ALA 44 N 4.56 0.17 -1.40 0.00 0.00 0.57 -4.88 120.51 119.53 1jgk n ALA 44 Ca -0.18 -0.79 0.03 0.00 0.00 0.00 0.00 53.44 52.50 1jgk n ALA 44 Cb 0.51 0.64 0.04 0.00 0.00 0.00 0.00 19.45 20.64 1jgk n ALA 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1jgk n ALA 45 N -2.02 1.92 -0.01 0.00 0.00 -1.26 -0.47 120.51 118.67 1jgk n ALA 45 Ca -0.05 -1.38 -0.05 0.00 0.00 0.00 0.00 53.44 51.96 1jgk n ALA 45 Cb 0.26 -0.34 -0.02 0.00 0.00 0.00 0.00 19.45 19.35 1jgk n ALA 45 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1jgk n THR 46 N -0.45 1.23 -3.66 0.00 -1.04 -1.26 -4.98 114.28 104.12 1jgk n THR 46 Ca 0.04 0.24 -0.23 0.00 -2.04 0.00 0.00 64.05 62.07 1jgk n THR 46 Cb 0.61 -1.85 0.04 0.00 -1.82 0.00 0.00 70.33 67.31 1jgk n THR 46 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1jgk s PRO 48 N -5.83 1.69 0.00 0.00 0.04 -1.26 -4.95 135.00 124.69 1jgk s PRO 48 Ca 0.14 0.68 0.00 0.00 0.04 0.00 0.00 61.00 61.86 1jgk s PRO 48 Cb -0.04 -1.87 0.00 0.00 0.04 0.00 0.00 34.50 32.63 1jgk s PRO 48 CO 0.82 -1.91 0.00 1.63 0.04 0.00 0.00 177.00 177.58 1jgk n LYS 49 N -3.63 1.68 -2.75 4.56 5.02 -1.26 -4.67 118.16 117.10 1jgk n LYS 49 Ca 0.07 0.00 -0.07 0.00 -2.02 0.00 0.00 58.31 56.29 1jgk n LYS 49 Cb 0.56 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 35.55 1jgk n LYS 49 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1jgk n GLY 50 N 5.00 3.69 0.08 0.72 0.00 -1.24 -4.89 105.19 108.55 1jgk n GLY 50 Ca 0.00 -1.79 0.00 0.00 0.00 0.00 0.00 46.02 44.23 1jgk n GLY 50 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1jgk n SER 51 N -2.41 0.00 0.13 1.61 3.41 -1.26 -4.67 113.62 110.43 1jgk n SER 51 Ca 0.02 0.00 -0.11 0.00 -0.26 0.00 0.00 58.87 58.52 1jgk n SER 51 Cb 0.20 0.02 -0.06 0.00 -0.26 0.00 0.00 64.21 64.11 1jgk n SER 51 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 1jgk h VAL 52 N 0.00 0.00 0.00 -3.33 2.07 -2.01 -3.29 116.25 109.70 1jgk h VAL 52 Ca 0.00 0.00 -0.12 0.00 0.82 0.00 0.00 66.70 67.40 1jgk h VAL 52 Cb 0.00 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 29.75 1jgk h VAL 52 CO 0.00 0.00 -1.98 -1.22 0.02 0.00 0.00 177.57 174.39 1jgk n TYR 53 N -4.34 0.17 0.00 1.57 4.01 -1.26 -5.03 117.16 112.28 1jgk n TYR 53 Ca -0.06 0.05 0.00 0.00 -0.16 0.00 0.00 57.90 57.73 1jgk n TYR 53 Cb 0.28 -0.73 0.00 0.00 -0.31 0.00 0.00 39.34 38.57 1jgk n TYR 53 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1jgk n GLY 54 N 1.41 0.76 3.55 2.72 0.00 -1.24 -4.53 105.19 107.86 1jgk n GLY 54 Ca -0.13 -0.66 -0.42 0.00 0.00 0.00 0.00 46.02 44.82 1jgk n GLY 54 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1jgk s LEU 55 N 0.00 4.35 -0.74 0.99 1.43 -1.26 -3.47 118.68 119.98 1jgk s LEU 55 Ca 0.00 -0.03 -0.27 0.00 -1.03 0.00 0.00 54.13 52.80 1jgk s LEU 55 Cb 0.00 -2.69 0.03 0.00 0.03 0.00 0.00 46.19 43.56 1jgk s LEU 55 CO 0.00 -0.59 1.29 -0.47 0.23 0.00 0.00 176.35 176.81 1jgk s TYR 56 N 2.59 2.27 -0.01 0.29 6.14 0.17 -3.63 117.35 125.17 1jgk s TYR 56 Ca 0.22 -0.04 -0.03 0.00 0.64 0.00 0.00 57.07 57.86 1jgk s TYR 56 Cb -0.15 -4.62 -0.04 0.00 0.42 0.00 0.00 41.96 37.57 1jgk s TYR 56 CO 0.15 -2.08 0.18 0.14 0.64 0.00 0.00 175.55 174.57 1jgk s VAL 57 N 5.79 5.40 -0.30 3.14 -7.23 -1.26 0.18 120.40 126.12 1jgk s VAL 57 Ca 0.36 -0.16 -0.09 0.00 -1.81 0.00 0.00 61.98 60.28 1jgk s VAL 57 Cb -0.08 -3.52 0.14 0.00 0.56 0.00 0.00 36.38 33.48 1jgk s VAL 57 CO 0.15 0.34 0.65 -0.22 -0.31 0.00 0.00 175.10 175.70 1jgk s LEU 58 N -1.90 -1.17 0.16 1.32 2.96 0.13 -4.96 118.68 115.23 1jgk s LEU 58 Ca 0.27 1.49 0.06 0.00 -0.22 0.00 0.00 54.13 55.72 1jgk s LEU 58 Cb -0.13 2.29 -0.04 0.00 0.50 0.00 0.00 46.19 48.81 1jgk s LEU 58 CO 0.18 -0.22 -0.12 0.00 -1.32 0.00 0.00 176.35 174.87 1jgk s THR 61 N -1.91 1.98 0.00 0.00 -4.23 -1.26 -0.93 115.64 109.29 1jgk s THR 61 Ca -0.07 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 60.44 1jgk s THR 61 Cb -0.06 -2.96 0.00 0.00 1.34 0.00 0.00 72.50 70.81 1jgk s THR 61 CO -0.01 0.00 0.00 0.41 -0.54 0.00 0.00 174.62 174.48 1jgk n THR 62 N -3.63 0.00 0.00 3.99 -1.04 -1.26 -4.18 114.28 108.16 1jgk n THR 62 Ca 0.12 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.13 1jgk n THR 62 Cb 0.60 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.11 1jgk n THR 62 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 1jgk n ASP 63 N 0.45 0.00 0.00 8.00 9.92 -1.26 -4.32 116.55 129.35 1jgk n ASP 63 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.26 1jgk n ASP 63 Cb 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.48 1jgk n ASP 63 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 1jgk n ASP 64 N 0.00 0.00 -0.20 -2.24 -0.08 -1.26 -3.95 116.55 108.82 1jgk n ASP 64 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 1jgk n ASP 64 Cb 0.00 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.46 1jgk n ASP 64 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32