#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jgk n LYS 2 N 0.00 0.00 -3.17 0.03 5.02 -1.26 -4.57 118.16 114.21 1jgk n LYS 2 Ca 0.00 0.00 0.02 0.00 -2.02 0.00 0.00 58.31 56.31 1jgk n LYS 2 Cb 0.00 0.00 -0.01 0.00 -0.02 0.00 0.00 35.03 35.00 1jgk n LYS 2 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1jgk s LYS 4 N 2.80 4.32 -0.32 0.00 2.20 -1.26 -1.02 119.74 126.46 1jgk s LYS 4 Ca 0.13 1.42 -0.11 0.00 -0.36 0.00 0.00 55.97 57.06 1jgk s LYS 4 Cb -0.12 -3.61 -0.01 0.00 -1.51 0.00 0.00 37.83 32.57 1jgk s LYS 4 CO -0.24 -0.51 0.19 0.42 -0.36 0.00 0.00 175.35 174.84 1jgk s ILE 5 N 2.74 4.94 0.00 5.43 1.01 0.27 -4.87 121.20 130.72 1jgk s ILE 5 Ca 0.47 -0.30 0.00 0.00 0.00 0.00 0.00 60.65 60.83 1jgk s ILE 5 Cb -0.17 -3.52 0.00 0.00 0.01 0.00 0.00 42.46 38.78 1jgk s ILE 5 CO 0.12 0.05 0.00 0.00 0.00 0.00 0.00 174.94 175.11 1jgk n ASN 7 N -0.56 0.37 -4.55 0.00 3.02 0.43 -4.79 115.26 109.17 1jgk n ASN 7 Ca 0.00 0.00 -0.38 0.00 -0.03 0.00 0.00 54.58 54.17 1jgk n ASN 7 Cb 0.00 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.14 1jgk n ASN 7 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 1jgk s PHE 8 N 2.14 2.00 -1.75 3.10 5.36 -1.26 -3.54 117.98 124.03 1jgk s PHE 8 Ca 0.00 0.29 0.00 0.00 -0.96 0.00 0.00 56.93 56.26 1jgk s PHE 8 Cb 0.00 -4.34 0.00 0.00 -0.34 0.00 0.00 43.02 38.34 1jgk s PHE 8 CO 0.00 -2.11 0.00 -0.25 -1.46 0.00 0.00 175.22 171.40 1jgk n ASP 9 N 11.28 -5.64 -3.66 6.13 9.92 -1.26 -4.96 116.55 128.36 1jgk n ASP 9 Ca 0.18 0.04 -0.11 0.00 -0.53 0.00 0.00 54.79 54.38 1jgk n ASP 9 Cb 0.50 -4.69 -0.08 0.00 -0.64 0.00 0.00 41.12 36.21 1jgk n ASP 9 CO 0.00 0.00 0.00 0.28 0.13 0.00 0.00 177.20 177.61 1jgk s THR 10 N -2.96 -0.00 -0.70 -3.53 -1.32 -1.23 -5.05 115.64 100.85 1jgk s THR 10 Ca 0.00 0.02 -0.01 0.00 -1.21 0.00 0.00 61.69 60.49 1jgk s THR 10 Cb 0.00 -0.85 0.40 0.00 -1.51 0.00 0.00 72.50 70.55 1jgk s THR 10 CO 0.00 0.01 1.88 0.00 -2.21 0.00 0.00 174.62 174.30 1jgk h ARG 12 N 2.50 0.00 0.06 0.00 0.11 -1.94 -2.79 114.38 112.31 1jgk h ARG 12 Ca 0.54 0.00 -0.37 0.00 0.10 0.00 0.00 59.98 60.26 1jgk h ARG 12 Cb 0.54 0.00 -0.04 0.00 1.11 0.00 0.00 29.97 31.58 1jgk h ARG 12 CO 1.39 0.02 -2.13 0.00 0.10 0.00 0.00 179.97 179.36 1jgk n ALA 13 N -2.20 1.09 -3.94 0.08 0.00 -1.26 -4.98 120.51 109.31 1jgk n ALA 13 Ca -0.02 -0.80 -0.31 0.00 0.00 0.00 0.00 53.44 52.31 1jgk n ALA 13 Cb 0.12 -0.39 0.02 0.00 0.00 0.00 0.00 19.45 19.21 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 1.94 -0.49 3.49 0.00 0.00 -1.06 -4.82 105.19 104.26 1jgk n GLY 14 Ca -0.39 0.19 -0.43 0.00 0.00 0.00 0.00 46.02 45.39 1jgk n GLY 14 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1jgk n GLU 15 N -4.66 3.17 -3.49 1.61 1.02 -0.02 -4.75 120.64 113.51 1jgk n GLU 15 Ca 0.04 -3.21 -0.37 0.00 -0.02 0.00 0.00 57.16 53.59 1jgk n GLU 15 Cb 0.53 -3.48 -0.06 0.00 -0.02 0.00 0.00 31.44 28.41 1jgk n GLU 15 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 1jgk s LEU 16 N 4.01 4.44 0.00 -4.62 0.20 -1.26 -0.57 118.68 120.88 1jgk s LEU 16 Ca 0.53 0.95 0.00 0.00 0.69 0.00 0.00 54.13 56.30 1jgk s LEU 16 Cb 0.05 -2.75 0.00 0.00 -0.43 0.00 0.00 46.19 43.06 1jgk s LEU 16 CO 0.06 0.27 0.00 1.17 -0.29 0.00 0.00 176.35 177.56 1jgk n LYS 17 N 1.51 0.00 -4.30 1.98 4.81 -0.19 -4.88 118.16 117.10 1jgk n LYS 17 Ca -0.12 0.00 -0.26 0.00 -0.87 0.00 0.00 58.31 57.06 1jgk n LYS 17 Cb 0.52 0.00 -0.17 0.00 0.02 0.00 0.00 35.03 35.40 1jgk n LYS 17 CO 0.00 0.00 0.00 0.14 1.17 0.00 0.00 177.40 178.71 1jgk s VAL 18 N 0.03 1.19 0.30 3.15 -7.23 -1.26 0.06 120.40 116.64 1jgk s VAL 18 Ca 0.00 -0.45 0.00 0.00 -1.81 0.00 0.00 61.98 59.72 1jgk s VAL 18 Cb 0.00 -1.13 0.00 0.00 0.56 0.00 0.00 36.38 35.81 1jgk s VAL 18 CO 0.00 0.38 0.00 0.00 -0.31 0.00 0.00 175.10 175.17 1jgk n ALA 20 N -3.38 0.94 -2.25 0.00 0.00 -0.75 -3.91 120.51 111.16 1jgk n ALA 20 Ca 0.00 -2.61 -0.03 0.00 0.00 0.00 0.00 53.44 50.80 1jgk n ALA 20 Cb 0.00 -3.54 0.02 0.00 0.00 0.00 0.00 19.45 15.93 1jgk n ALA 20 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1jgk n SER 21 N 14.00 -0.90 0.00 0.00 3.41 -1.26 -4.72 113.62 124.15 1jgk n SER 21 Ca 0.45 -1.68 0.00 0.00 -0.26 0.00 0.00 58.87 57.38 1jgk n SER 21 Cb 0.44 0.36 0.00 0.00 -0.26 0.00 0.00 64.21 64.76 1jgk n SER 21 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1jgk n GLY 22 N -0.57 -1.80 2.71 5.00 0.00 -1.25 -4.89 105.19 104.38 1jgk n GLY 22 Ca -0.17 0.61 -0.08 0.00 0.00 0.00 0.00 46.02 46.38 1jgk n GLY 22 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1jgk n GLU 23 N 0.00 -1.51 -3.59 1.61 4.07 -1.26 -4.92 120.64 115.04 1jgk n GLU 23 Ca 0.00 0.76 -0.40 0.00 -0.06 0.00 0.00 57.16 57.46 1jgk n GLU 23 Cb 0.00 -5.05 -0.08 0.00 -0.06 0.00 0.00 31.44 26.25 1jgk n GLU 23 CO 0.00 0.00 0.00 0.15 -0.06 0.00 0.00 177.13 177.22 1jgk s LYS 24 N -2.58 2.65 0.06 5.31 3.01 -1.26 -4.49 119.74 122.45 1jgk s LYS 24 Ca 0.00 -2.14 -0.23 0.00 -1.01 0.00 0.00 55.97 52.59 1jgk s LYS 24 Cb 0.00 -3.92 -0.06 0.00 -1.01 0.00 0.00 37.83 32.84 1jgk s LYS 24 CO 0.00 -1.19 0.69 0.71 0.51 0.00 0.00 175.35 176.06 1jgk s TYR 25 N 0.68 3.76 -0.40 3.18 1.51 0.13 -1.82 117.35 124.39 1jgk s TYR 25 Ca 0.12 1.39 -0.26 0.00 -1.01 0.00 0.00 57.07 57.31 1jgk s TYR 25 Cb -0.21 -2.70 0.02 0.00 -0.11 0.00 0.00 41.96 38.96 1jgk s TYR 25 CO -0.03 0.39 0.94 0.00 -1.11 0.00 0.00 175.55 175.74 1jgk s PHE 27 N 3.63 3.17 -0.34 0.00 -0.71 -1.06 -0.85 117.98 121.81 1jgk s PHE 27 Ca 0.39 -0.14 -0.18 0.00 -1.04 0.00 0.00 56.93 55.96 1jgk s PHE 27 Cb -0.11 -2.26 -0.01 0.00 -1.21 0.00 0.00 43.02 39.44 1jgk s PHE 27 CO 0.22 -0.19 0.51 0.15 -1.34 0.00 0.00 175.22 174.57 1jgk s LYS 28 N 1.42 3.66 -0.22 1.99 1.02 0.07 -2.52 119.74 125.16 1jgk s LYS 28 Ca 0.06 -0.13 -0.08 0.00 0.02 0.00 0.00 55.97 55.84 1jgk s LYS 28 Cb -0.15 -3.79 -0.04 0.00 -0.52 0.00 0.00 37.83 33.33 1jgk s LYS 28 CO 0.05 -0.61 0.10 -2.00 -0.92 0.00 0.00 175.35 171.97 1jgk s GLU 29 N 2.37 3.90 -0.23 1.68 2.12 0.79 -0.64 118.70 128.69 1jgk s GLU 29 Ca 0.19 -0.36 -0.05 0.00 0.36 0.00 0.00 54.97 55.10 1jgk s GLU 29 Cb -0.15 -3.36 -0.02 0.00 0.26 0.00 0.00 34.13 30.86 1jgk s GLU 29 CO 0.13 0.05 0.01 0.45 -0.54 0.00 0.00 175.26 175.36 1jgk s SER 30 N 1.01 4.65 0.28 -1.70 0.15 0.10 -1.08 113.70 117.11 1jgk s SER 30 Ca 0.05 -0.33 -0.19 0.00 0.70 0.00 0.00 55.95 56.19 1jgk s SER 30 Cb -0.14 -1.81 -0.09 0.00 -1.71 0.00 0.00 66.02 62.27 1jgk s SER 30 CO 0.03 -0.03 0.76 0.86 1.20 0.00 0.00 173.24 176.06 1jgk s TRP 31 N 1.53 3.54 -0.88 3.44 -0.11 0.16 -1.31 118.94 125.31 1jgk s TRP 31 Ca 0.06 1.38 -0.01 0.00 1.22 0.00 0.00 56.10 58.75 1jgk s TRP 31 Cb -0.15 -2.63 0.22 0.00 -1.50 0.00 0.00 33.47 29.42 1jgk s TRP 31 CO -0.00 0.22 0.80 -2.13 -4.62 0.00 0.00 176.95 171.21 1jgk n ARG 32 N 0.27 2.66 -2.44 5.86 0.63 -0.62 -0.69 116.66 122.32 1jgk n ARG 32 Ca 0.01 -4.50 -0.40 0.00 -0.92 0.00 0.00 57.85 52.03 1jgk n ARG 32 Cb 0.52 -2.40 -0.04 0.00 0.45 0.00 0.00 32.46 30.99 1jgk n ARG 32 CO 0.00 0.00 0.00 -2.00 -2.51 0.00 0.00 177.63 173.12 1jgk s GLU 33 N -1.54 4.60 0.35 -0.14 2.56 -0.03 -4.79 118.70 119.71 1jgk s GLU 33 Ca 0.28 1.84 0.22 0.00 0.00 0.00 0.00 54.97 57.31 1jgk s GLU 33 Cb -0.05 -3.19 1.19 0.00 2.00 0.00 0.00 34.13 34.08 1jgk s GLU 33 CO -0.11 0.14 1.65 0.00 -0.56 0.00 0.00 175.26 176.38 1jgk h ALA 34 N 4.01 1.04 -0.67 6.30 0.00 -2.00 -1.40 119.26 126.55 1jgk h ALA 34 Ca -0.46 0.00 -0.49 0.00 0.00 0.00 0.00 54.91 53.95 1jgk h ALA 34 Cb 1.21 0.00 -0.38 0.00 0.00 0.00 0.00 17.79 18.62 1jgk h ALA 34 CO 0.68 -0.04 -0.79 0.54 0.00 0.00 0.00 179.25 179.64 1jgk n ARG 35 N -2.29 3.40 0.00 0.00 5.12 -1.26 -5.06 116.66 116.57 1jgk n ARG 35 Ca -0.01 -4.08 0.00 0.00 -1.93 0.00 0.00 57.85 51.83 1jgk n ARG 35 Cb 0.10 -2.21 0.00 0.00 -1.16 0.00 0.00 32.46 29.19 1jgk n ARG 35 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1jgk n GLY 36 N -0.75 3.41 3.25 -0.13 0.00 -0.53 -5.10 105.19 105.33 1jgk n GLY 36 Ca 0.41 -1.73 -0.32 0.00 0.00 0.00 0.00 46.02 44.39 1jgk n GLY 36 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1jgk s THR 37 N -2.03 2.07 0.17 2.61 -4.23 -1.26 -0.85 115.64 112.11 1jgk s THR 37 Ca 0.00 -1.04 0.05 0.00 -1.18 0.00 0.00 61.69 59.51 1jgk s THR 37 Cb 0.00 -1.76 -0.04 0.00 1.34 0.00 0.00 72.50 72.04 1jgk s THR 37 CO 0.00 0.57 0.17 -0.60 -0.54 0.00 0.00 174.62 174.21 1jgk s ARG 38 N 0.05 3.01 -0.12 3.99 3.52 0.13 -4.93 118.95 124.60 1jgk s ARG 38 Ca -0.10 -0.83 -0.05 0.00 -0.13 0.00 0.00 55.73 54.62 1jgk s ARG 38 Cb -0.16 -2.70 0.06 0.00 -1.56 0.00 0.00 34.95 30.59 1jgk s ARG 38 CO 0.06 0.49 0.27 -1.50 -0.81 0.00 0.00 175.30 173.81 1jgk s ILE 39 N -1.77 -0.23 0.06 4.11 2.07 -1.26 0.37 121.20 124.55 1jgk s ILE 39 Ca 0.32 0.21 -0.01 0.00 -1.41 0.00 0.00 60.65 59.75 1jgk s ILE 39 Cb -0.10 -0.44 -0.04 0.00 0.13 0.00 0.00 42.46 42.02 1jgk s ILE 39 CO 0.24 0.09 -0.01 -0.70 -1.91 0.00 0.00 174.94 172.65 1jgk s GLU 40 N 1.85 0.64 0.13 3.50 -6.30 -0.24 -4.69 118.70 113.59 1jgk s GLU 40 Ca -0.04 -1.22 0.01 0.00 -2.50 0.00 0.00 54.97 51.22 1jgk s GLU 40 Cb -0.11 0.22 0.01 0.00 0.00 0.00 0.00 34.13 34.25 1jgk s GLU 40 CO -0.09 -0.13 0.09 0.54 0.02 0.00 0.00 175.26 175.69 1jgk n ARG 41 N 0.09 1.33 -3.13 4.30 1.74 -1.26 -0.15 116.66 119.58 1jgk n ARG 41 Ca -0.14 -0.84 0.00 0.00 -0.77 0.00 0.00 57.85 56.10 1jgk n ARG 41 Cb 0.61 0.10 0.00 0.00 -1.02 0.00 0.00 32.46 32.16 1jgk n ARG 41 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1jgk n GLY 42 N 3.40 -1.28 2.67 -0.13 0.00 -1.05 -4.81 105.19 103.99 1jgk n GLY 42 Ca -0.01 -0.92 -0.22 0.00 0.00 0.00 0.00 46.02 44.86 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 5.30 0.00 -0.10 0.00 0.00 0.81 -4.86 120.51 121.65 1jgk n ALA 44 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.38 1jgk n ALA 44 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.93 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 -3.00 1.35 -3.15 0.00 0.00 -1.26 0.19 120.51 114.64 1jgk n ALA 45 Ca 0.00 -0.09 -0.36 0.00 0.00 0.00 0.00 53.44 52.99 1jgk n ALA 45 Cb 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.32 1jgk n ALA 45 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1jgk s THR 46 N -0.45 4.06 -0.40 0.00 -4.23 -1.26 -4.99 115.64 108.37 1jgk s THR 46 Ca 0.00 -0.26 -0.02 0.00 -1.18 0.00 0.00 61.69 60.23 1jgk s THR 46 Cb 0.00 -2.88 0.11 0.00 1.34 0.00 0.00 72.50 71.07 1jgk s THR 46 CO 0.00 0.38 0.18 0.00 -0.54 0.00 0.00 174.62 174.64 1jgk n PRO 48 N 4.54 -1.35 0.00 0.00 -0.04 -1.26 -5.06 135.00 131.83 1jgk n PRO 48 Ca -0.01 -0.66 0.00 0.00 -0.04 0.00 0.00 63.50 62.79 1jgk n PRO 48 Cb 0.41 -0.55 0.00 0.00 -0.04 0.00 0.00 33.50 33.32 1jgk n PRO 48 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1jgk n LYS 49 N -2.47 0.00 0.00 0.54 4.01 -1.26 -4.83 118.16 114.15 1jgk n LYS 49 Ca 0.06 0.04 0.00 0.00 -0.51 0.00 0.00 58.31 57.90 1jgk n LYS 49 Cb 0.21 -0.31 0.00 0.00 -0.51 0.00 0.00 35.03 34.42 1jgk n LYS 49 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1jgk n GLY 50 N 2.36 2.83 2.55 0.72 0.00 -1.26 -4.57 105.19 107.81 1jgk n GLY 50 Ca 0.00 -0.48 -0.18 0.00 0.00 0.00 0.00 46.02 45.36 1jgk n GLY 50 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1jgk n SER 51 N 0.00 3.21 -1.45 1.61 2.88 -1.26 -4.91 113.62 113.70 1jgk n SER 51 Ca 0.00 -3.22 -0.11 0.00 -1.33 0.00 0.00 58.87 54.21 1jgk n SER 51 Cb 0.00 -0.48 -0.04 0.00 -0.75 0.00 0.00 64.21 62.93 1jgk n SER 51 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 1jgk n VAL 52 N -0.33 -0.06 0.02 2.46 0.31 -1.26 -4.57 118.33 114.91 1jgk n VAL 52 Ca 0.25 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.58 1jgk n VAL 52 Cb 0.75 -1.14 0.00 0.00 -0.91 0.00 0.00 33.84 32.54 1jgk n VAL 52 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1jgk n TYR 53 N -1.92 -0.32 0.00 3.52 4.19 -1.26 -5.12 117.16 116.25 1jgk n TYR 53 Ca -0.12 0.06 0.00 0.00 3.31 0.00 0.00 57.90 61.15 1jgk n TYR 53 Cb 0.40 0.37 0.00 0.00 0.49 0.00 0.00 39.34 40.60 1jgk n TYR 53 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 1jgk n GLY 54 N 1.95 0.51 2.66 2.98 0.00 -1.26 -4.90 105.19 107.12 1jgk n GLY 54 Ca 0.00 0.47 -0.24 0.00 0.00 0.00 0.00 46.02 46.25 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 0.43 -0.45 0.99 1.43 -1.26 -1.59 118.68 118.23 1jgk s LEU 55 Ca 0.00 -0.41 -0.18 0.00 -1.03 0.00 0.00 54.13 52.50 1jgk s LEU 55 Cb 0.00 -0.29 0.04 0.00 0.03 0.00 0.00 46.19 45.97 1jgk s LEU 55 CO 0.00 -0.30 0.53 -0.31 0.23 0.00 0.00 176.35 176.49 1jgk s TYR 56 N 2.09 3.12 -0.18 0.29 1.51 -0.43 -4.50 117.35 119.25 1jgk s TYR 56 Ca 0.03 -0.40 -0.06 0.00 -1.01 0.00 0.00 57.07 55.63 1jgk s TYR 56 Cb -0.15 -3.18 -0.03 0.00 -0.11 0.00 0.00 41.96 38.49 1jgk s TYR 56 CO -0.07 -0.83 0.03 0.14 -1.11 0.00 0.00 175.55 173.71 1jgk s VAL 57 N 2.37 4.42 -0.31 0.71 -7.23 -1.24 0.01 120.40 119.13 1jgk s VAL 57 Ca 0.14 -0.16 0.01 0.00 -1.81 0.00 0.00 61.98 60.16 1jgk s VAL 57 Cb -0.18 -2.98 0.10 0.00 0.56 0.00 0.00 36.38 33.88 1jgk s VAL 57 CO 0.14 0.45 0.07 -0.22 -0.31 0.00 0.00 175.10 175.23 1jgk s LEU 58 N 0.54 3.15 -0.09 1.32 1.98 0.19 -4.84 118.68 120.93 1jgk s LEU 58 Ca 0.01 -1.78 -0.21 0.00 -2.89 0.00 0.00 54.13 49.26 1jgk s LEU 58 Cb -0.13 -1.15 -0.04 0.00 0.66 0.00 0.00 46.19 45.52 1jgk s LEU 58 CO 0.02 -0.39 0.60 0.00 -1.89 0.00 0.00 176.35 174.68 1jgk n THR 61 N -0.18 1.01 -3.90 0.00 5.66 -1.26 -1.10 114.28 114.50 1jgk n THR 61 Ca -0.05 -2.68 -0.09 0.00 -3.05 0.00 0.00 64.05 58.18 1jgk n THR 61 Cb 0.64 1.10 -0.08 0.00 -1.55 0.00 0.00 70.33 70.44 1jgk n THR 61 CO 0.00 0.00 0.00 0.28 -3.05 0.00 0.00 175.07 172.30 1jgk s THR 62 N -3.03 0.15 0.07 1.09 -1.32 -1.26 -4.83 115.64 106.51 1jgk s THR 62 Ca 0.25 -1.23 -0.19 0.00 -1.21 0.00 0.00 61.69 59.31 1jgk s THR 62 Cb 0.37 -1.28 -0.11 0.00 -1.51 0.00 0.00 72.50 69.98 1jgk s THR 62 CO -0.03 -0.68 0.44 -0.90 -2.21 0.00 0.00 174.62 171.24 1jgk n ASP 63 N 0.12 -0.42 0.00 8.08 5.75 -1.26 0.28 116.55 129.11 1jgk n ASP 63 Ca -0.16 0.66 0.00 0.00 -0.01 0.00 0.00 54.79 55.28 1jgk n ASP 63 Cb 0.61 -0.54 0.00 0.00 -1.03 0.00 0.00 41.12 40.16 1jgk n ASP 63 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 1jgk n ASP 64 N 1.03 0.00 -0.07 -1.12 8.00 -1.26 -4.01 116.55 119.13 1jgk n ASP 64 Ca 0.11 0.00 0.19 0.00 0.71 0.00 0.00 54.79 55.79 1jgk n ASP 64 Cb 0.10 0.00 0.62 0.00 -0.02 0.00 0.00 41.12 41.82 1jgk n ASP 64 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81