#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 -3.87 3.17 4.01 -1.26 -4.91 118.16 115.29 1jgk n LYS 2 Ca 0.00 0.00 -0.28 0.00 -0.51 0.00 0.00 58.31 57.52 1jgk n LYS 2 Cb 0.00 0.00 -0.16 0.00 -0.51 0.00 0.00 35.03 34.36 1jgk n LYS 2 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1jgk s LYS 4 N 1.66 3.85 -0.04 0.00 2.20 -0.93 -0.20 119.74 126.27 1jgk s LYS 4 Ca 0.01 0.88 -0.21 0.00 -0.36 0.00 0.00 55.97 56.29 1jgk s LYS 4 Cb -0.15 -3.86 -0.05 0.00 -1.51 0.00 0.00 37.83 32.26 1jgk s LYS 4 CO -0.08 -1.21 0.60 0.42 -0.36 0.00 0.00 175.35 174.73 1jgk s ILE 5 N 4.29 5.00 0.00 5.43 -1.09 0.21 -4.87 121.20 130.17 1jgk s ILE 5 Ca 0.50 1.25 0.00 0.00 -2.23 0.00 0.00 60.65 60.17 1jgk s ILE 5 Cb -0.11 -3.94 0.00 0.00 -1.58 0.00 0.00 42.46 36.83 1jgk s ILE 5 CO 0.25 0.35 0.00 0.00 -1.23 0.00 0.00 174.94 174.32 1jgk s ASN 7 N 2.00 -0.66 0.30 0.00 0.01 -1.26 -4.25 114.94 111.08 1jgk s ASN 7 Ca 0.00 1.22 -0.28 0.00 -0.71 0.00 0.00 52.86 53.09 1jgk s ASN 7 Cb 0.00 1.20 -0.09 0.00 0.41 0.00 0.00 41.25 42.76 1jgk s ASN 7 CO 0.00 -0.21 1.03 -0.36 -1.51 0.00 0.00 177.10 176.05 1jgk s PHE 8 N 0.65 3.63 -0.79 2.20 0.40 -1.26 -2.04 117.98 120.77 1jgk s PHE 8 Ca -0.03 1.76 0.00 0.00 -0.60 0.00 0.00 56.93 58.06 1jgk s PHE 8 Cb -0.05 -3.12 0.00 0.00 0.51 0.00 0.00 43.02 40.36 1jgk s PHE 8 CO -0.04 -0.20 0.00 -3.47 0.70 0.00 0.00 175.22 172.21 1jgk n ASP 9 N 0.91 -5.06 0.00 1.36 2.03 -1.26 -4.71 116.55 109.82 1jgk n ASP 9 Ca 0.00 0.19 0.00 0.00 0.52 0.00 0.00 54.79 55.50 1jgk n ASP 9 Cb 0.47 -3.22 0.00 0.00 -0.72 0.00 0.00 41.12 37.65 1jgk n ASP 9 CO 0.00 0.00 0.00 1.07 -1.92 0.00 0.00 177.20 176.35 1jgk n THR 10 N -2.40 0.00 -2.15 5.18 5.66 -1.17 -5.09 114.28 114.31 1jgk n THR 10 Ca -0.07 0.00 -0.33 0.00 -3.05 0.00 0.00 64.05 60.60 1jgk n THR 10 Cb 0.44 0.00 -0.04 0.00 -1.55 0.00 0.00 70.33 69.18 1jgk n THR 10 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1jgk n ARG 12 N 8.98 0.51 0.00 0.00 1.74 -1.26 -4.70 116.66 121.93 1jgk n ARG 12 Ca 0.31 -0.03 0.00 0.00 -0.77 0.00 0.00 57.85 57.36 1jgk n ARG 12 Cb 0.49 -1.64 0.00 0.00 -1.02 0.00 0.00 32.46 30.29 1jgk n ARG 12 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1jgk n ALA 13 N -2.08 0.00 -2.65 7.54 0.00 -1.26 -5.03 120.51 117.03 1jgk n ALA 13 Ca -0.01 -0.08 -0.04 0.00 0.00 0.00 0.00 53.44 53.31 1jgk n ALA 13 Cb 0.51 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.98 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 2.18 0.68 1.37 0.00 0.00 -1.08 -5.03 105.19 103.32 1jgk n GLY 14 Ca 0.00 -0.51 -0.08 0.00 0.00 0.00 0.00 46.02 45.43 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 -1.27 1.02 -3.64 1.61 1.02 -0.19 -4.90 120.64 114.29 1jgk n GLU 15 Ca -0.00 -1.16 -0.15 0.00 -0.02 0.00 0.00 57.16 55.82 1jgk n GLU 15 Cb 0.51 0.01 -0.07 0.00 -0.02 0.00 0.00 31.44 31.87 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 0.00 -0.07 0.00 -4.62 2.96 -1.26 0.66 118.68 116.35 1jgk s LEU 16 Ca 0.17 0.65 0.00 0.00 -0.22 0.00 0.00 54.13 54.73 1jgk s LEU 16 Cb -0.01 1.99 0.00 0.00 0.50 0.00 0.00 46.19 48.67 1jgk s LEU 16 CO 0.11 -0.44 0.00 1.17 -1.32 0.00 0.00 176.35 175.86 1jgk n LYS 17 N 1.55 0.00 -4.24 1.98 4.81 0.72 -4.87 118.16 118.11 1jgk n LYS 17 Ca -0.18 0.00 -0.20 0.00 -0.87 0.00 0.00 58.31 57.06 1jgk n LYS 17 Cb 0.56 0.00 -0.12 0.00 0.02 0.00 0.00 35.03 35.50 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 0.97 1.39 0.07 3.15 -7.23 -1.26 -0.64 120.40 116.86 1jgk s VAL 18 Ca 0.00 -1.55 0.00 0.00 -1.81 0.00 0.00 61.98 58.62 1jgk s VAL 18 Cb 0.00 -1.40 0.00 0.00 0.56 0.00 0.00 36.38 35.54 1jgk s VAL 18 CO 0.00 -0.25 0.00 0.00 -0.31 0.00 0.00 175.10 174.54 1jgk n ALA 20 N -2.48 1.74 -2.19 0.00 0.00 -1.15 -3.26 120.51 113.16 1jgk n ALA 20 Ca 0.00 -2.89 -0.00 0.00 0.00 0.00 0.00 53.44 50.55 1jgk n ALA 20 Cb 0.00 -3.55 -0.01 0.00 0.00 0.00 0.00 19.45 15.89 1jgk n ALA 20 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1jgk n SER 21 N 12.48 0.12 0.00 0.00 2.88 -1.26 -4.95 113.62 122.89 1jgk n SER 21 Ca 0.46 -1.85 0.00 0.00 -1.33 0.00 0.00 58.87 56.14 1jgk n SER 21 Cb 0.44 -0.08 0.00 0.00 -0.75 0.00 0.00 64.21 63.82 1jgk n SER 21 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1jgk n GLY 22 N 0.19 0.58 0.01 0.46 0.00 -1.26 -4.98 105.19 100.19 1jgk n GLY 22 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.97 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 -2.00 0.00 -4.25 1.61 4.07 -1.25 -5.13 120.64 113.69 1jgk n GLU 23 Ca 0.00 0.00 -0.18 0.00 -0.06 0.00 0.00 57.16 56.92 1jgk n GLU 23 Cb 0.00 -0.01 -0.08 0.00 -0.06 0.00 0.00 31.44 31.29 1jgk n GLU 23 CO 0.00 0.00 0.00 -1.59 -0.06 0.00 0.00 177.13 175.48 1jgk s LYS 24 N -0.04 1.76 0.32 5.31 -2.85 -1.20 -5.01 119.74 118.02 1jgk s LYS 24 Ca 0.00 -1.96 0.08 0.00 -1.00 0.00 0.00 55.97 53.08 1jgk s LYS 24 Cb 0.00 0.34 -0.03 0.00 -2.06 0.00 0.00 37.83 36.08 1jgk s LYS 24 CO 0.00 -0.66 0.21 0.71 0.10 0.00 0.00 175.35 175.71 1jgk s TYR 25 N -3.40 2.87 -0.52 1.78 2.02 0.90 -2.96 117.35 118.03 1jgk s TYR 25 Ca 0.39 -0.29 -0.24 0.00 -0.37 0.00 0.00 57.07 56.56 1jgk s TYR 25 Cb 0.02 -1.64 0.04 0.00 -0.40 0.00 0.00 41.96 39.97 1jgk s TYR 25 CO 0.26 0.31 0.91 0.00 -1.57 0.00 0.00 175.55 175.47 1jgk s PHE 27 N 3.81 3.35 0.25 0.00 -0.71 -1.23 -1.07 117.98 122.38 1jgk s PHE 27 Ca 0.31 0.33 0.09 0.00 -1.04 0.00 0.00 56.93 56.62 1jgk s PHE 27 Cb -0.12 -2.29 -0.04 0.00 -1.21 0.00 0.00 43.02 39.36 1jgk s PHE 27 CO 0.21 0.11 -0.02 -1.59 -1.34 0.00 0.00 175.22 172.59 1jgk s LYS 28 N 0.91 2.26 -0.00 1.99 0.00 -0.22 -2.85 119.74 121.83 1jgk s LYS 28 Ca 0.10 -1.39 -0.03 0.00 0.00 0.00 0.00 55.97 54.65 1jgk s LYS 28 Cb -0.13 -2.16 -0.00 0.00 0.00 0.00 0.00 37.83 35.53 1jgk s LYS 28 CO 0.04 0.38 0.05 -1.83 0.00 0.00 0.00 175.35 173.98 1jgk s GLU 29 N -3.54 0.25 -0.22 1.78 -1.05 0.91 -1.00 118.70 115.83 1jgk s GLU 29 Ca 0.30 -0.26 0.02 0.00 -0.15 0.00 0.00 54.97 54.87 1jgk s GLU 29 Cb -0.07 0.10 0.05 0.00 -0.44 0.00 0.00 34.13 33.77 1jgk s GLU 29 CO 0.19 -0.05 -0.10 0.45 0.95 0.00 0.00 175.26 176.70 1jgk s SER 30 N -0.80 3.79 -0.23 0.83 0.15 0.64 -0.30 113.70 117.78 1jgk s SER 30 Ca -0.09 -1.08 -0.23 0.00 0.70 0.00 0.00 55.95 55.25 1jgk s SER 30 Cb -0.05 -1.34 -0.01 0.00 -1.71 0.00 0.00 66.02 62.90 1jgk s SER 30 CO 0.00 -0.16 0.76 0.86 1.20 0.00 0.00 173.24 175.90 1jgk s TRP 31 N 1.29 3.32 -0.45 3.44 -0.11 0.11 -1.23 118.94 125.31 1jgk s TRP 31 Ca -0.04 1.06 -0.24 0.00 1.22 0.00 0.00 56.10 58.09 1jgk s TRP 31 Cb -0.18 -2.97 0.03 0.00 -1.50 0.00 0.00 33.47 28.85 1jgk s TRP 31 CO -0.07 -0.34 0.86 0.50 -4.62 0.00 0.00 176.95 173.28 1jgk s ARG 32 N 2.58 3.50 0.39 5.86 3.00 0.11 -0.74 118.95 133.64 1jgk s ARG 32 Ca 0.33 0.07 0.08 0.00 -1.00 0.00 0.00 55.73 55.20 1jgk s ARG 32 Cb -0.16 -3.92 -0.01 0.00 0.00 0.00 0.00 34.95 30.86 1jgk s ARG 32 CO 0.09 -1.16 0.45 -2.00 0.00 0.00 0.00 175.30 172.67 1jgk s GLU 33 N 3.54 2.77 0.25 5.12 2.12 -0.27 -4.64 118.70 127.59 1jgk s GLU 33 Ca 0.34 -1.30 0.25 0.00 0.36 0.00 0.00 54.97 54.62 1jgk s GLU 33 Cb -0.11 -2.61 0.90 0.00 0.26 0.00 0.00 34.13 32.57 1jgk s GLU 33 CO 0.24 -0.13 1.75 0.00 -0.54 0.00 0.00 175.26 176.59 1jgk h ALA 34 N 0.90 1.00 -0.44 6.30 0.00 -1.98 -3.19 119.26 121.85 1jgk h ALA 34 Ca -0.42 0.00 -0.33 0.00 0.00 0.00 0.00 54.91 54.16 1jgk h ALA 34 Cb 1.27 0.00 -0.30 0.00 0.00 0.00 0.00 17.79 18.76 1jgk h ALA 34 CO 0.52 0.00 -0.78 -2.13 0.00 0.00 0.00 179.25 176.87 1jgk n ARG 35 N -2.30 2.54 0.00 0.00 0.63 -1.26 -5.07 116.66 111.20 1jgk n ARG 35 Ca 0.04 -3.69 0.00 0.00 -0.92 0.00 0.00 57.85 53.28 1jgk n ARG 35 Cb 0.34 -1.85 0.00 0.00 0.45 0.00 0.00 32.46 31.40 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 -0.73 3.48 3.45 5.14 0.00 -1.21 -5.10 105.19 110.22 1jgk n GLY 36 Ca 0.30 -1.86 -0.30 0.00 0.00 0.00 0.00 46.02 44.15 1jgk n GLY 36 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1jgk s THR 37 N -2.56 2.73 0.32 2.61 -1.32 -1.26 -1.11 115.64 115.04 1jgk s THR 37 Ca 0.00 -1.26 0.09 0.00 -1.21 0.00 0.00 61.69 59.31 1jgk s THR 37 Cb 0.00 -2.16 -0.04 0.00 -1.51 0.00 0.00 72.50 68.79 1jgk s THR 37 CO 0.00 0.30 0.08 -0.60 -2.21 0.00 0.00 174.62 172.20 1jgk s ARG 38 N -1.52 2.31 0.04 7.08 3.00 0.08 -4.91 118.95 125.02 1jgk s ARG 38 Ca 0.15 -1.54 0.00 0.00 -1.00 0.00 0.00 55.73 53.34 1jgk s ARG 38 Cb -0.10 -2.13 -0.03 0.00 0.00 0.00 0.00 34.95 32.69 1jgk s ARG 38 CO 0.06 0.18 -0.04 0.42 0.00 0.00 0.00 175.30 175.91 1jgk s ILE 39 N -2.41 0.28 0.08 4.11 1.01 -1.26 0.04 121.20 123.04 1jgk s ILE 39 Ca 0.36 -1.18 -0.12 0.00 0.00 0.00 0.00 60.65 59.70 1jgk s ILE 39 Cb -0.03 -0.67 0.02 0.00 0.01 0.00 0.00 42.46 41.78 1jgk s ILE 39 CO 0.21 -0.59 0.28 -0.70 0.00 0.00 0.00 174.94 174.15 1jgk s GLU 40 N -2.10 0.88 0.22 2.79 2.12 0.59 -4.78 118.70 118.43 1jgk s GLU 40 Ca -0.08 -0.72 0.03 0.00 0.36 0.00 0.00 54.97 54.56 1jgk s GLU 40 Cb -0.06 0.37 -0.01 0.00 0.26 0.00 0.00 34.13 34.70 1jgk s GLU 40 CO -0.03 -0.30 0.11 0.54 -0.54 0.00 0.00 175.26 175.05 1jgk n ARG 41 N 0.16 0.55 -1.34 4.30 1.74 -1.26 -0.06 116.66 120.75 1jgk n ARG 41 Ca -0.17 -2.01 0.00 0.00 -0.77 0.00 0.00 57.85 54.91 1jgk n ARG 41 Cb 0.61 1.28 0.00 0.00 -1.02 0.00 0.00 32.46 33.34 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 0.18 -0.59 2.64 -0.13 0.00 -1.13 -4.94 105.19 101.22 1jgk n GLY 42 Ca -0.01 -0.67 -0.27 0.00 0.00 0.00 0.00 46.02 45.07 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 5.19 0.00 -1.98 0.00 0.00 0.73 -4.90 120.51 119.55 1jgk n ALA 44 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.37 1jgk n ALA 44 Cb 0.47 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.92 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 1.87 0.10 0.00 0.00 -1.26 -0.07 120.51 118.15 1jgk n ALA 45 Ca 0.00 -0.18 0.07 0.00 0.00 0.00 0.00 53.44 53.34 1jgk n ALA 45 Cb 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 19.45 19.37 1jgk n ALA 45 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1jgk h THR 46 N 5.07 0.24 -5.01 0.00 2.02 -1.97 -3.49 112.91 109.76 1jgk h THR 46 Ca 0.00 -1.43 -0.07 0.00 0.77 0.00 0.00 66.41 65.68 1jgk h THR 46 Cb 1.07 1.83 0.00 0.00 -1.74 0.00 0.00 68.15 69.31 1jgk h THR 46 CO 0.00 0.14 -0.77 0.00 0.37 0.00 0.00 175.52 175.26 1jgk n PRO 48 N 0.78 0.69 -1.42 0.00 -0.04 -1.26 -5.07 135.00 128.68 1jgk n PRO 48 Ca -0.02 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.44 1jgk n PRO 48 Cb 0.40 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.86 1jgk n PRO 48 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 1jgk n LYS 49 N -0.24 0.11 0.00 0.54 2.85 -1.26 -4.86 118.16 115.30 1jgk n LYS 49 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 1jgk n LYS 49 Cb 0.00 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.38 1jgk n LYS 49 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1jgk n GLY 50 N 0.22 2.79 0.00 2.58 0.00 -1.26 -4.82 105.19 104.69 1jgk n GLY 50 Ca 0.00 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.44 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 0.00 0.00 1.61 2.88 -1.26 -4.95 113.62 111.90 1jgk n SER 51 Ca 0.00 0.00 -0.15 0.00 -1.33 0.00 0.00 58.87 57.39 1jgk n SER 51 Cb 0.00 0.00 -0.14 0.00 -0.75 0.00 0.00 64.21 63.32 1jgk n SER 51 CO 0.00 0.00 0.00 0.58 -1.23 0.00 0.00 175.04 174.39 1jgk h VAL 52 N 0.00 0.79 -0.01 2.46 2.07 -2.00 -3.32 116.25 116.24 1jgk h VAL 52 Ca 0.00 -2.56 0.00 0.00 0.82 0.00 0.00 66.70 64.96 1jgk h VAL 52 Cb 0.00 2.50 -0.00 0.00 -1.52 0.00 0.00 31.29 32.27 1jgk h VAL 52 CO 0.00 0.70 0.02 1.88 0.02 0.00 0.00 177.57 180.20 1jgk h TYR 53 N 0.04 0.00 -2.12 1.57 0.05 -1.93 -3.46 116.97 111.12 1jgk h TYR 53 Ca -0.34 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 58.44 1jgk h TYR 53 Cb 2.02 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.76 1jgk h TYR 53 CO 0.04 0.00 -0.00 0.41 -1.05 0.00 0.00 178.16 177.56 1jgk n GLY 54 N -1.17 0.50 3.28 3.88 0.00 -1.25 -3.72 105.19 106.71 1jgk n GLY 54 Ca -0.03 -0.46 -0.43 0.00 0.00 0.00 0.00 46.02 45.10 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 -2.12 6.24 -0.88 0.99 2.01 -1.25 0.04 118.68 123.71 1jgk s LEU 55 Ca 0.00 -3.38 -0.25 0.00 0.01 0.00 0.00 54.13 50.51 1jgk s LEU 55 Cb -0.00 -2.14 0.04 0.00 0.01 0.00 0.00 46.19 44.10 1jgk s LEU 55 CO 0.00 -0.34 1.36 -0.47 1.01 0.00 0.00 176.35 177.92 1jgk s TYR 56 N -0.89 2.41 0.12 0.29 5.04 -0.37 -4.17 117.35 119.78 1jgk s TYR 56 Ca 0.26 -0.44 0.06 0.00 -2.44 0.00 0.00 57.07 54.51 1jgk s TYR 56 Cb -0.10 -4.66 -0.04 0.00 0.35 0.00 0.00 41.96 37.51 1jgk s TYR 56 CO -0.09 -2.01 -0.01 0.08 -1.34 0.00 0.00 175.55 172.19 1jgk s VAL 57 N 5.36 3.87 -0.26 3.14 1.01 -1.26 -0.26 120.40 132.00 1jgk s VAL 57 Ca 0.40 -1.16 -0.25 0.00 0.00 0.00 0.00 61.98 60.97 1jgk s VAL 57 Cb -0.04 -2.88 0.07 0.00 0.00 0.00 0.00 36.38 33.53 1jgk s VAL 57 CO 0.03 0.04 0.72 -0.22 0.00 0.00 0.00 175.10 175.67 1jgk s LEU 58 N -2.53 -0.74 -0.10 3.92 2.96 -0.17 -4.96 118.68 117.06 1jgk s LEU 58 Ca 0.26 1.42 -0.04 0.00 -0.22 0.00 0.00 54.13 55.56 1jgk s LEU 58 Cb -0.11 2.46 -0.04 0.00 0.50 0.00 0.00 46.19 49.01 1jgk s LEU 58 CO 0.18 -0.26 0.04 0.00 -1.32 0.00 0.00 176.35 174.99 1jgk n THR 61 N -0.58 0.00 -3.07 0.00 5.66 -1.21 -0.88 114.28 114.20 1jgk n THR 61 Ca -0.05 -1.47 0.02 0.00 -3.05 0.00 0.00 64.05 59.50 1jgk n THR 61 Cb 0.63 1.36 -0.00 0.00 -1.55 0.00 0.00 70.33 70.77 1jgk n THR 61 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 175.07 171.13 1jgk s THR 62 N 0.24 -0.72 0.55 1.09 2.01 -1.26 -4.85 115.64 112.70 1jgk s THR 62 Ca 0.22 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.22 1jgk s THR 62 Cb 0.31 -0.09 0.00 0.00 0.01 0.00 0.00 72.50 72.73 1jgk s THR 62 CO -0.06 0.00 0.00 -0.67 -0.69 0.00 0.00 174.62 173.20 1jgk n ASP 63 N 4.31 -8.48 0.00 3.53 -0.08 -1.26 -4.34 116.55 110.23 1jgk n ASP 63 Ca 0.09 1.45 0.00 0.00 -1.51 0.00 0.00 54.79 54.82 1jgk n ASP 63 Cb 0.59 -5.06 0.00 0.00 2.34 0.00 0.00 41.12 38.98 1jgk n ASP 63 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 1jgk n ASP 64 N -1.47 0.00 -1.02 1.67 8.00 -1.22 -2.98 116.55 119.52 1jgk n ASP 64 Ca 0.00 0.00 0.03 0.00 0.71 0.00 0.00 54.79 55.53 1jgk n ASP 64 Cb 0.16 0.00 0.16 0.00 -0.02 0.00 0.00 41.12 41.42 1jgk n ASP 64 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81