#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jxc n PRO 2 N 0.00 -0.40 -3.54 0.00 -0.04 -1.26 -5.06 135.00 124.70 1jxc n PRO 2 Ca 0.00 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.17 1jxc n PRO 2 Cb 0.00 0.00 -0.13 0.00 -0.04 0.00 0.00 33.50 33.33 1jxc n PRO 2 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1jxc s GLU 3 N -2.79 0.57 -0.74 0.54 2.02 -1.26 -5.02 118.70 112.02 1jxc s GLU 3 Ca 0.00 -1.18 -0.06 0.00 0.02 0.00 0.00 54.97 53.75 1jxc s GLU 3 Cb 0.00 -1.47 -0.05 0.00 0.10 0.00 0.00 34.13 32.71 1jxc s GLU 3 CO 0.00 -1.13 1.90 0.44 0.02 0.00 0.00 175.26 176.49 1jxc n ILE 4 N 4.38 1.94 -1.94 -1.63 -5.35 -1.26 -4.85 119.36 110.65 1jxc n ILE 4 Ca 0.05 -1.19 -0.42 0.00 -0.27 0.00 0.00 62.75 60.92 1jxc n ILE 4 Cb 0.38 -2.04 -0.03 0.00 -1.74 0.00 0.00 39.64 36.22 1jxc n ILE 4 CO 0.00 0.00 0.00 -1.61 -1.76 0.00 0.00 176.55 173.18 1jxc s GLU 5 N 3.86 3.11 -0.08 6.28 2.02 -1.26 -4.95 118.70 127.68 1jxc s GLU 5 Ca 0.34 1.35 0.01 0.00 0.02 0.00 0.00 54.97 56.70 1jxc s GLU 5 Cb 0.09 -4.27 0.02 0.00 0.10 0.00 0.00 34.13 30.06 1jxc s GLU 5 CO -0.01 -2.12 -0.10 0.00 0.02 0.00 0.00 175.26 173.04 1jxc s ALA 6 N 7.75 1.25 0.08 5.21 0.00 -1.26 -4.99 121.76 129.79 1jxc s ALA 6 Ca 0.81 -0.43 0.00 0.00 0.00 0.00 0.00 51.96 52.33 1jxc s ALA 6 Cb -0.21 -0.66 0.00 0.00 0.00 0.00 0.00 23.12 22.25 1jxc s ALA 6 CO 0.31 -0.05 0.00 0.94 0.00 0.00 0.00 175.76 176.96 1jxc n GLN 7 N 4.15 -5.19 -0.03 0.00 0.00 -1.26 -4.97 117.38 110.08 1jxc n GLN 7 Ca -0.20 3.75 0.01 0.00 -0.00 0.00 0.00 57.00 60.56 1jxc n GLN 7 Cb 0.51 -4.47 -0.11 0.00 0.00 0.00 0.00 30.24 26.17 1jxc n GLN 7 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1jxc n GLY 8 N 1.80 -0.67 2.70 1.69 0.00 -1.26 -4.77 105.19 104.68 1jxc n GLY 8 Ca 0.00 -0.30 -0.07 0.00 0.00 0.00 0.00 46.02 45.65 1jxc n GLY 8 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1jxc n ASN 9 N -2.23 -1.92 -0.01 1.61 3.02 -1.26 -5.02 115.26 109.46 1jxc n ASN 9 Ca -0.11 -2.66 -0.01 0.00 -0.03 0.00 0.00 54.58 51.77 1jxc n ASN 9 Cb 0.63 1.24 -0.00 0.00 -0.61 0.00 0.00 39.78 41.03 1jxc n ASN 9 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1jxc n GLU 10 N -0.33 0.06 -1.97 3.52 -0.58 -1.26 -5.02 120.64 115.06 1jxc n GLU 10 Ca -0.03 0.03 -0.05 0.00 -0.42 0.00 0.00 57.16 56.68 1jxc n GLU 10 Cb 0.79 -0.44 -0.00 0.00 -0.57 0.00 0.00 31.44 31.21 1jxc n GLU 10 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1jxc s LEU 12 N -1.40 2.09 0.17 0.00 2.01 -1.26 -4.40 118.68 115.89 1jxc s LEU 12 Ca 0.00 -0.36 0.11 0.00 0.01 0.00 0.00 54.13 53.89 1jxc s LEU 12 Cb 0.00 -0.75 -0.04 0.00 0.01 0.00 0.00 46.19 45.41 1jxc s LEU 12 CO 0.00 0.14 -0.22 -0.54 1.01 0.00 0.00 176.35 176.74 1jxc s LYS 13 N -0.70 1.60 0.03 1.70 1.02 -1.26 -4.97 119.74 117.15 1jxc s LYS 13 Ca 0.05 -1.42 -0.01 0.00 0.02 0.00 0.00 55.97 54.60 1jxc s LYS 13 Cb -0.07 -1.92 -0.04 0.00 -0.52 0.00 0.00 37.83 35.28 1jxc s LYS 13 CO 0.00 0.42 0.19 -1.83 -0.92 0.00 0.00 175.35 173.21 1jxc s GLU 14 N -2.53 3.41 0.00 1.68 -1.05 -1.26 -0.43 118.70 118.51 1jxc s GLU 14 Ca 0.20 -0.40 0.00 0.00 -0.15 0.00 0.00 54.97 54.62 1jxc s GLU 14 Cb -0.09 -3.05 0.00 0.00 -0.44 0.00 0.00 34.13 30.55 1jxc s GLU 14 CO 0.10 0.64 0.00 0.98 0.95 0.00 0.00 175.26 177.93 1jxc n TYR 15 N 0.63 0.00 0.00 4.83 4.19 0.14 -4.83 117.16 122.12 1jxc n TYR 15 Ca -0.08 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.13 1jxc n TYR 15 Cb 0.52 0.00 0.00 0.00 0.49 0.00 0.00 39.34 40.35 1jxc n TYR 15 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 1jxc n GLY 16 N 0.00 3.58 0.13 2.98 0.00 -1.26 -2.98 105.19 107.64 1jxc n GLY 16 Ca 0.00 -1.66 0.01 0.00 0.00 0.00 0.00 46.02 44.37 1jxc n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jxc n GLY 17 N -1.05 -0.77 1.10 -0.02 0.00 -1.26 -3.64 105.19 99.55 1jxc n GLY 17 Ca 0.00 -0.07 -0.03 0.00 0.00 0.00 0.00 46.02 45.92 1jxc n GLY 17 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1jxc n ASP 18 N -0.16 -0.28 -2.59 1.61 2.03 -1.26 -4.02 116.55 111.88 1jxc n ASP 18 Ca 0.01 -1.93 -0.09 0.00 0.52 0.00 0.00 54.79 53.30 1jxc n ASP 18 Cb 0.53 0.08 0.04 0.00 -0.72 0.00 0.00 41.12 41.04 1jxc n ASP 18 CO 0.00 0.00 0.00 1.33 -1.92 0.00 0.00 177.20 176.61 1jxc n VAL 19 N 0.15 1.62 0.00 5.18 0.24 -1.26 -4.90 118.33 119.37 1jxc n VAL 19 Ca -0.15 -3.39 0.00 0.00 -2.04 0.00 0.00 64.34 58.77 1jxc n VAL 19 Cb 0.82 0.45 0.00 0.00 -1.47 0.00 0.00 33.84 33.65 1jxc n VAL 19 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1jxc n GLY 20 N -0.56 -0.76 0.33 7.63 0.00 -1.26 -4.03 105.19 106.55 1jxc n GLY 20 Ca 0.19 -1.00 -0.00 0.00 0.00 0.00 0.00 46.02 45.20 1jxc n GLY 20 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1jxc h PHE 21 N 0.00 0.86 -1.47 1.61 3.04 0.24 -2.52 116.94 118.70 1jxc h PHE 21 Ca 0.00 -0.01 0.47 0.00 3.98 0.00 0.00 57.97 62.41 1jxc h PHE 21 Cb 0.00 -0.28 -0.10 0.00 2.56 0.00 0.00 35.95 38.13 1jxc h PHE 21 CO 0.00 0.60 1.00 0.41 -2.02 0.00 0.00 178.31 178.31 1jxc n GLY 22 N -1.25 -0.81 0.09 2.40 0.00 -1.26 0.85 105.19 105.21 1jxc n GLY 22 Ca 0.06 0.66 -0.19 0.00 0.00 0.00 0.00 46.02 46.55 1jxc n GLY 22 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1jxc h PHE 23 N 0.00 0.05 -0.46 1.61 3.57 -1.71 -3.45 116.94 116.54 1jxc h PHE 23 Ca 0.81 -0.04 0.00 0.00 3.53 0.00 0.00 57.97 62.28 1jxc h PHE 23 Cb 2.91 -0.00 0.00 0.00 2.79 0.00 0.00 35.95 41.65 1jxc h PHE 23 CO -0.00 1.31 0.00 0.00 -2.23 0.00 0.00 178.31 177.39 1jxc n ALA 25 N -3.00 -2.82 -1.07 0.00 0.00 -1.26 -4.69 120.51 107.68 1jxc n ALA 25 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.12 1jxc n ALA 25 Cb 0.00 -0.47 -0.02 0.00 0.00 0.00 0.00 19.45 18.96 1jxc n ALA 25 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1jxc n PRO 26 N 0.15 2.65 0.00 0.00 -0.04 -1.26 -3.40 135.00 133.11 1jxc n PRO 26 Ca 0.00 -1.86 0.00 0.00 -0.04 0.00 0.00 63.50 61.60 1jxc n PRO 26 Cb 0.00 -2.70 0.00 0.00 -0.04 0.00 0.00 33.50 30.76 1jxc n PRO 26 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 1jxc n ARG 27 N 4.47 0.00 -4.34 0.54 0.63 -1.26 -5.12 116.66 111.58 1jxc n ARG 27 Ca 0.57 0.00 -0.21 0.00 -0.92 0.00 0.00 57.85 57.29 1jxc n ARG 27 Cb 0.22 -0.08 -0.11 0.00 0.45 0.00 0.00 32.46 32.94 1jxc n ARG 27 CO 0.00 0.00 0.00 -1.50 -2.51 0.00 0.00 177.63 173.62 1jxc s ILE 28 N -1.84 1.81 -0.51 5.15 1.10 -1.22 -5.09 121.20 120.60 1jxc s ILE 28 Ca 0.00 -1.97 0.07 0.00 -0.51 0.00 0.00 60.65 58.24 1jxc s ILE 28 Cb 0.00 -1.88 0.24 0.00 0.15 0.00 0.00 42.46 40.97 1jxc s ILE 28 CO 0.00 -0.36 0.60 0.33 -2.11 0.00 0.00 174.94 173.40 1jxc n PHE 29 N 0.17 1.37 0.78 3.50 7.35 -1.26 -4.79 117.46 124.58 1jxc n PHE 29 Ca -0.12 -3.82 0.11 0.00 -0.76 0.00 0.00 57.45 52.85 1jxc n PHE 29 Cb 0.58 -0.41 0.48 0.00 0.35 0.00 0.00 39.48 40.47 1jxc n PHE 29 CO 0.00 0.00 0.00 -0.35 -0.76 0.00 0.00 176.76 175.65 1jxc n PRO 30 N 1.29 0.03 -4.05 -7.13 -0.04 -1.26 -4.91 135.00 118.94 1jxc n PRO 30 Ca 0.25 0.12 -0.31 0.00 -0.04 0.00 0.00 63.50 63.52 1jxc n PRO 30 Cb 0.47 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.40 1jxc n PRO 30 CO 0.00 0.00 0.00 -2.37 -0.04 0.00 0.00 175.50 173.09 1jxc n THR 31 N -1.48 -2.75 -0.07 0.52 5.66 -1.26 -4.88 114.28 110.02 1jxc n THR 31 Ca 0.06 -0.57 -0.14 0.00 -3.05 0.00 0.00 64.05 60.35 1jxc n THR 31 Cb 0.25 -2.32 -0.11 0.00 -1.55 0.00 0.00 70.33 66.60 1jxc n THR 31 CO 0.00 0.00 0.00 0.40 -3.05 0.00 0.00 175.07 172.42 1jxc h ILE 32 N -1.94 1.38 0.00 1.09 1.08 -1.90 -3.18 117.51 114.03 1jxc h ILE 32 Ca -0.66 -2.13 0.00 0.00 -0.39 0.00 0.00 64.86 61.68 1jxc h ILE 32 Cb 1.39 2.71 0.00 0.00 -3.07 0.00 0.00 36.82 37.84 1jxc h ILE 32 CO 0.62 0.47 0.07 0.00 -0.69 0.00 0.00 178.15 178.61 1jxc h TYR 34 N 0.00 0.05 -0.01 0.00 3.20 -1.93 0.54 116.97 118.81 1jxc h TYR 34 Ca 0.00 -0.02 -0.20 0.00 3.14 0.00 0.00 58.73 61.66 1jxc h TYR 34 Cb 0.14 -0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.39 1jxc h TYR 34 CO 0.00 0.57 -0.85 0.00 -1.64 0.00 0.00 178.16 176.24 1jxc h THR 35 N -0.49 1.45 -0.06 1.81 1.03 -1.17 -1.32 112.91 114.16 1jxc h THR 35 Ca 0.00 -2.46 -0.09 0.00 -0.01 0.00 0.00 66.41 63.85 1jxc h THR 35 Cb 0.56 2.37 0.00 0.00 -1.07 0.00 0.00 68.15 70.02 1jxc h THR 35 CO 0.00 0.72 -0.31 -0.09 -0.01 0.00 0.00 175.52 175.84 1jxc h ARG 36 N 0.16 0.32 0.00 0.00 9.65 -0.65 -3.03 114.38 120.83 1jxc h ARG 36 Ca -0.05 -0.26 -0.04 0.00 -1.10 0.00 0.00 59.98 58.53 1jxc h ARG 36 Cb 1.46 0.05 -0.01 0.00 -1.39 0.00 0.00 29.97 30.09 1jxc h ARG 36 CO 0.14 0.91 -0.18 0.00 2.80 0.00 0.00 179.97 183.64 1jxc h ARG 38 N 0.00 1.10 -0.92 0.00 1.12 -1.11 -1.04 114.38 113.54 1jxc h ARG 38 Ca -0.00 -0.07 0.13 0.00 -1.11 0.00 0.00 59.98 58.93 1jxc h ARG 38 Cb 0.49 -0.25 -0.09 0.00 -0.01 0.00 0.00 29.97 30.11 1jxc h ARG 38 CO 0.02 0.73 0.54 0.93 -3.11 0.00 0.00 179.97 179.09 1jxc h GLU 39 N 1.14 0.80 0.00 0.20 4.39 -1.43 0.70 114.58 120.38 1jxc h GLU 39 Ca 0.41 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 60.06 1jxc h GLU 39 Cb 0.13 -0.18 0.00 0.00 -0.10 0.00 0.00 28.75 28.60 1jxc h GLU 39 CO -0.16 0.53 0.00 -0.91 -1.16 0.00 0.00 179.01 177.31 1jxc h ASN 40 N 0.82 0.00 0.00 1.42 2.35 -1.33 -3.47 115.58 115.38 1jxc h ASN 40 Ca 0.48 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.23 1jxc h ASN 40 Cb 0.56 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.93 1jxc h ASN 40 CO -0.30 0.00 0.00 0.29 -1.65 0.00 0.00 177.43 175.77 1jxc n LYS 41 N -2.97 0.00 -1.48 0.81 4.76 0.24 -4.68 118.16 114.84 1jxc n LYS 41 Ca 0.02 0.00 -0.33 0.00 -2.87 0.00 0.00 58.31 55.13 1jxc n LYS 41 Cb 0.36 0.00 -0.18 0.00 -1.84 0.00 0.00 35.03 33.37 1jxc n LYS 41 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1jxc n GLY 42 N 0.00 -0.49 3.17 0.72 0.00 -1.26 -4.73 105.19 102.60 1jxc n GLY 42 Ca 0.00 0.70 0.04 0.00 0.00 0.00 0.00 46.02 46.76 1jxc n GLY 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jxc s ALA 43 N 5.45 -3.44 -0.11 4.61 0.00 -1.26 -4.60 121.76 122.41 1jxc s ALA 43 Ca 1.32 1.68 -0.03 0.00 0.00 0.00 0.00 51.96 54.93 1jxc s ALA 43 Cb -1.08 -2.37 -0.01 0.00 0.00 0.00 0.00 23.12 19.65 1jxc s ALA 43 CO 0.51 -1.08 -0.06 -0.22 0.00 0.00 0.00 175.76 174.91 1jxc h LYS 44 N 7.21 0.00 0.00 0.00 1.63 -1.76 -3.48 116.57 120.17 1jxc h LYS 44 Ca -0.13 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.67 1jxc h LYS 44 Cb 1.14 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.77 1jxc h LYS 44 CO 0.00 0.00 0.00 0.41 -3.45 0.00 0.00 179.45 176.41 1jxc n GLY 45 N 1.72 5.31 0.00 5.01 0.00 -1.23 -4.84 105.19 111.16 1jxc n GLY 45 Ca -0.02 -1.39 0.00 0.00 0.00 0.00 0.00 46.02 44.60 1jxc n GLY 45 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jxc n GLY 46 N 2.19 -0.91 3.37 -0.02 0.00 -1.26 -2.65 105.19 105.92 1jxc n GLY 46 Ca 0.00 -1.16 -0.19 0.00 0.00 0.00 0.00 46.02 44.67 1jxc n GLY 46 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1jxc s ARG 47 N -1.97 1.46 -0.07 1.61 0.52 -0.17 -4.95 118.95 115.38 1jxc s ARG 47 Ca 0.00 -1.77 0.02 0.00 -0.52 0.00 0.00 55.73 53.46 1jxc s ARG 47 Cb 0.00 -0.69 0.01 0.00 0.52 0.00 0.00 34.95 34.79 1jxc s ARG 47 CO 0.00 -0.14 -0.14 0.00 0.02 0.00 0.00 175.30 175.04 1jxc s ARG 49 N 0.66 3.57 0.00 0.00 0.52 -1.25 -4.91 118.95 117.54 1jxc s ARG 49 Ca -0.14 -0.17 0.00 0.00 -0.52 0.00 0.00 55.73 54.89 1jxc s ARG 49 Cb -0.16 -2.72 0.00 0.00 0.52 0.00 0.00 34.95 32.59 1jxc s ARG 49 CO 0.04 0.27 0.00 -2.67 0.02 0.00 0.00 175.30 172.96 1jxc n TRP 50 N -0.98 0.00 0.00 -0.53 2.14 -1.26 -0.80 117.44 116.01 1jxc n TRP 50 Ca -0.03 0.00 0.00 0.00 2.07 0.00 0.00 57.50 59.54 1jxc n TRP 50 Cb 0.54 0.00 0.00 0.00 -0.81 0.00 0.00 31.31 31.04 1jxc n TRP 50 CO 0.00 0.00 0.00 0.41 2.07 0.00 0.00 177.69 180.17 1jxc n GLY 51 N 0.00 0.33 0.00 -1.67 0.00 -1.26 0.71 105.19 103.30 1jxc n GLY 51 Ca 0.00 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.44 1jxc n GLY 51 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1jxc n GLN 52 N 0.00 0.00 0.00 1.61 7.27 -1.26 -3.96 117.38 121.04 1jxc n GLN 52 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.07 1jxc n GLN 52 Cb 0.00 0.00 0.00 0.00 2.41 0.00 0.00 30.24 32.65 1jxc n GLN 52 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1jxc n GLY 53 N 0.00 3.51 0.00 1.69 0.00 -1.26 -4.69 105.19 104.45 1jxc n GLY 53 Ca 0.00 -0.94 0.00 0.00 0.00 0.00 0.00 46.02 45.08 1jxc n GLY 53 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1jxc n SER 54 N 0.00 0.00 -0.10 1.61 2.88 -1.26 -4.55 113.62 112.20 1jxc n SER 54 Ca 0.00 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.41 1jxc n SER 54 Cb 0.00 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.42 1jxc n SER 54 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1jxc n ASN 55 N 0.00 1.94 -1.66 -3.46 3.02 -1.26 -5.02 115.26 108.82 1jxc n ASN 55 Ca 0.00 0.35 0.00 0.00 -0.03 0.00 0.00 54.58 54.90 1jxc n ASN 55 Cb 0.00 -0.77 0.00 0.00 -0.61 0.00 0.00 39.78 38.40 1jxc n ASN 55 CO 0.00 0.00 0.00 1.33 -2.62 0.00 0.00 177.26 175.97 1jxc n VAL 56 N -4.43 0.00 -4.19 2.41 0.24 -1.26 -4.95 118.33 106.16 1jxc n VAL 56 Ca -0.22 0.00 -0.11 0.00 -2.04 0.00 0.00 64.34 61.97 1jxc n VAL 56 Cb 0.58 -0.84 -0.10 0.00 -1.47 0.00 0.00 33.84 32.01 1jxc n VAL 56 CO 0.00 0.00 0.00 -1.59 -2.14 0.00 0.00 176.83 173.10 1jxc s LYS 57 N -1.20 0.89 0.01 7.34 -2.85 -1.26 -4.56 119.74 118.11 1jxc s LYS 57 Ca 0.00 -1.37 -0.20 0.00 -1.00 0.00 0.00 55.97 53.40 1jxc s LYS 57 Cb 0.00 -0.25 -0.06 0.00 -2.06 0.00 0.00 37.83 35.46 1jxc s LYS 57 CO 0.00 -0.02 0.58 0.00 0.10 0.00 0.00 175.35 176.01 1jxc s LEU 59 N -0.37 4.23 -0.19 0.00 1.43 -0.32 0.27 118.68 123.74 1jxc s LEU 59 Ca 0.30 0.30 -0.04 0.00 -1.03 0.00 0.00 54.13 53.66 1jxc s LEU 59 Cb -0.18 -2.07 0.09 0.00 0.03 0.00 0.00 46.19 44.06 1jxc s LEU 59 CO 0.17 0.26 0.23 0.00 0.23 0.00 0.00 176.35 177.24 1jxc s ASP 61 N 2.34 1.55 0.47 0.00 -1.08 -1.08 -4.11 116.67 114.75 1jxc s ASP 61 Ca 0.06 -0.32 0.23 0.00 -0.52 0.00 0.00 52.55 52.01 1jxc s ASP 61 Cb -0.15 -0.14 1.27 0.00 -1.46 0.00 0.00 42.92 42.44 1jxc s ASP 61 CO -0.11 0.11 1.68 -0.26 0.52 0.00 0.00 175.17 177.10 1jxc h PHE 62 N 5.47 0.00 0.00 -5.34 -1.00 -1.85 -2.85 116.94 111.37 1jxc h PHE 62 Ca -0.35 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.43 1jxc h PHE 62 Cb 1.17 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.73 1jxc h PHE 62 CO 0.45 0.00 0.00 0.00 -1.61 0.00 0.00 178.31 177.15 1jxc n GLY 64 N -0.70 0.17 0.00 0.00 0.00 -1.08 -4.51 105.19 99.07 1jxc n GLY 64 Ca 0.00 0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.13 1jxc n GLY 64 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1jxc n ASP 65 N 0.56 0.00 -4.62 1.61 -0.08 -1.26 -4.89 116.55 107.87 1jxc n ASP 65 Ca 0.00 -0.17 -0.43 0.00 -1.51 0.00 0.00 54.79 52.68 1jxc n ASP 65 Cb 0.00 0.00 -0.02 0.00 2.34 0.00 0.00 41.12 43.44 1jxc n ASP 65 CO 0.00 0.00 0.00 0.42 0.12 0.00 0.00 177.20 177.74 1jxc s THR 66 N -1.56 3.89 -1.08 5.18 -4.23 -1.26 -4.82 115.64 111.76 1jxc s THR 66 Ca 0.00 0.98 -0.07 0.00 -1.18 0.00 0.00 61.69 61.42 1jxc s THR 66 Cb 0.00 -3.97 -0.08 0.00 1.34 0.00 0.00 72.50 69.79 1jxc s THR 66 CO 0.00 -0.46 2.53 -0.81 -0.54 0.00 0.00 174.62 175.34 1jxc n PRO 67 N 7.66 2.64 -0.15 3.99 -0.04 -1.26 -5.05 135.00 142.78 1jxc n PRO 67 Ca 0.17 -1.65 0.00 0.00 -0.04 0.00 0.00 63.50 61.98 1jxc n PRO 67 Cb 0.46 -2.51 0.00 0.00 -0.04 0.00 0.00 33.50 31.41 1jxc n PRO 67 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40