#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jke s ILE 2 N 0.00 1.94 -0.19 1.12 1.01 0.39 -1.61 121.20 123.86 1jke s ILE 2 Ca 0.00 -1.09 -0.02 0.00 0.00 0.00 0.00 60.65 59.53 1jke s ILE 2 Cb 0.00 -1.62 0.06 0.00 0.01 0.00 0.00 42.46 40.91 1jke s ILE 2 CO 0.00 0.51 0.02 0.00 0.00 0.00 0.00 174.94 175.47 1jke s ALA 3 N -0.61 1.14 -0.40 9.38 0.00 0.28 -0.30 121.76 131.25 1jke s ALA 3 Ca 0.10 -0.77 -0.19 0.00 0.00 0.00 0.00 51.96 51.10 1jke s ALA 3 Cb -0.09 -1.20 0.01 0.00 0.00 0.00 0.00 23.12 21.84 1jke s ALA 3 CO -0.00 -1.14 0.53 -1.17 0.00 0.00 0.00 175.76 173.97 1jke s LEU 4 N 1.79 4.56 -0.01 0.00 1.98 -0.33 -0.94 118.68 125.73 1jke s LEU 4 Ca -0.01 -0.33 0.02 0.00 -2.89 0.00 0.00 54.13 50.91 1jke s LEU 4 Cb -0.17 -2.57 -0.03 0.00 0.66 0.00 0.00 46.19 44.08 1jke s LEU 4 CO -0.08 -0.61 -0.02 0.27 -1.89 0.00 0.00 176.35 174.03 1jke s ILE 5 N 2.45 4.00 -0.05 6.68 -4.36 0.15 -1.48 121.20 128.59 1jke s ILE 5 Ca 0.18 -0.62 0.03 0.00 -0.26 0.00 0.00 60.65 59.97 1jke s ILE 5 Cb -0.15 -2.76 0.01 0.00 1.25 0.00 0.00 42.46 40.80 1jke s ILE 5 CO 0.15 0.40 -0.12 -1.10 0.24 0.00 0.00 174.94 174.51 1jke s GLN 6 N -1.44 1.47 -0.07 0.37 -0.21 -0.75 -1.01 119.66 118.01 1jke s GLN 6 Ca 0.18 -0.42 -0.30 0.00 0.02 0.00 0.00 55.36 54.84 1jke s GLN 6 Cb -0.11 -1.27 -0.02 0.00 1.00 0.00 0.00 33.01 32.61 1jke s GLN 6 CO 0.09 0.11 1.06 0.50 -2.12 0.00 0.00 175.29 174.93 1jke s ARG 7 N 0.37 4.42 0.16 2.91 3.52 -0.63 -1.49 118.95 128.20 1jke s ARG 7 Ca -0.08 1.49 0.06 0.00 -0.13 0.00 0.00 55.73 57.06 1jke s ARG 7 Cb -0.12 -3.53 -0.04 0.00 -1.56 0.00 0.00 34.95 29.69 1jke s ARG 7 CO 0.02 -0.32 -0.13 0.14 -0.81 0.00 0.00 175.30 174.21 1jke s VAL 8 N 1.92 1.42 -0.36 7.11 -7.23 -0.42 -0.86 120.40 121.99 1jke s VAL 8 Ca 0.51 -2.06 0.22 0.00 -1.81 0.00 0.00 61.98 58.85 1jke s VAL 8 Cb -0.21 -1.87 -0.18 0.00 0.56 0.00 0.00 36.38 34.69 1jke s VAL 8 CO 0.21 -0.63 0.83 0.35 -0.31 0.00 0.00 175.10 175.54 1jke n THR 9 N -0.14 0.19 -3.60 5.32 -2.24 -0.82 -1.43 114.28 111.56 1jke n THR 9 Ca -0.10 -0.38 -0.05 0.00 -2.27 0.00 0.00 64.05 61.24 1jke n THR 9 Cb 0.60 0.08 -0.04 0.00 -2.10 0.00 0.00 70.33 68.88 1jke n THR 9 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1jke s ARG 10 N -3.33 0.32 -0.10 -0.78 1.70 -1.14 -2.20 118.95 113.41 1jke s ARG 10 Ca -0.01 -0.00 -0.30 0.00 -0.47 0.00 0.00 55.73 54.95 1jke s ARG 10 Cb 0.13 0.15 0.08 0.00 -0.57 0.00 0.00 34.95 34.75 1jke s ARG 10 CO 0.84 -0.12 0.77 0.00 -1.08 0.00 0.00 175.30 175.71 1jke s ALA 11 N -1.59 -1.81 -0.00 7.88 0.00 -0.81 -1.91 121.76 123.51 1jke s ALA 11 Ca 0.06 1.47 -0.21 0.00 0.00 0.00 0.00 51.96 53.27 1jke s ALA 11 Cb -0.01 -0.32 0.04 0.00 0.00 0.00 0.00 23.12 22.83 1jke s ALA 11 CO -0.04 -0.35 0.47 -1.54 0.00 0.00 0.00 175.76 174.30 1jke s SER 12 N -0.97 -0.38 -0.06 0.00 1.04 0.89 -0.81 113.70 113.41 1jke s SER 12 Ca -0.07 0.26 0.05 0.00 0.48 0.00 0.00 55.95 56.67 1jke s SER 12 Cb -0.01 0.43 -0.01 0.00 0.10 0.00 0.00 66.02 66.53 1jke s SER 12 CO 0.07 -0.58 -0.23 -0.69 0.98 0.00 0.00 173.24 172.79 1jke s VAL 13 N -1.68 1.89 0.10 5.02 1.01 -0.28 -0.30 120.40 126.16 1jke s VAL 13 Ca -0.10 -0.97 0.07 0.00 0.00 0.00 0.00 61.98 60.98 1jke s VAL 13 Cb -0.02 -1.61 -0.03 0.00 0.00 0.00 0.00 36.38 34.72 1jke s VAL 13 CO 0.04 0.53 -0.17 0.42 0.00 0.00 0.00 175.10 175.91 1jke s THR 14 N -0.05 1.45 -0.20 3.92 -4.23 -0.60 -0.83 115.64 115.10 1jke s THR 14 Ca -0.06 -1.52 0.01 0.00 -1.18 0.00 0.00 61.69 58.94 1jke s THR 14 Cb -0.14 -1.41 0.04 0.00 1.34 0.00 0.00 72.50 72.34 1jke s THR 14 CO 0.04 -0.20 -0.09 -0.69 -0.54 0.00 0.00 174.62 173.13 1jke s VAL 15 N -1.45 1.59 -1.46 2.29 1.01 0.05 -1.40 120.40 121.04 1jke s VAL 15 Ca 0.05 -1.01 -0.11 0.00 0.00 0.00 0.00 61.98 60.91 1jke s VAL 15 Cb -0.09 -1.70 0.06 0.00 0.00 0.00 0.00 36.38 34.65 1jke s VAL 15 CO 0.04 0.13 1.00 -0.62 0.00 0.00 0.00 175.10 175.65 1jke n GLU 16 N 4.69 -6.05 -0.37 2.72 1.02 -1.26 -1.36 120.64 120.03 1jke n GLU 16 Ca -0.14 0.66 0.00 0.00 -0.02 0.00 0.00 57.16 57.66 1jke n GLU 16 Cb 0.46 -5.55 0.00 0.00 -0.02 0.00 0.00 31.44 26.33 1jke n GLU 16 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1jke n GLY 17 N -1.74 1.90 3.67 0.62 0.00 -1.26 -5.02 105.19 103.37 1jke n GLY 17 Ca -0.02 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.63 1jke n GLY 17 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1jke s GLU 18 N -0.13 4.13 0.13 1.61 2.56 -0.47 -4.97 118.70 121.57 1jke s GLU 18 Ca 0.00 -0.05 -0.31 0.00 0.00 0.00 0.00 54.97 54.60 1jke s GLU 18 Cb 0.00 -3.52 -0.09 0.00 2.00 0.00 0.00 34.13 32.52 1jke s GLU 18 CO 0.00 0.05 1.52 0.08 -0.56 0.00 0.00 175.26 176.35 1jke s VAL 19 N 1.07 2.93 -0.03 3.70 1.01 -1.26 -0.77 120.40 127.04 1jke s VAL 19 Ca 0.13 0.63 0.08 0.00 0.00 0.00 0.00 61.98 62.82 1jke s VAL 19 Cb -0.14 -3.40 -0.12 0.00 0.00 0.00 0.00 36.38 32.72 1jke s VAL 19 CO 0.05 0.04 0.14 0.35 0.00 0.00 0.00 175.10 175.68 1jke n THR 20 N 4.09 0.19 -3.56 3.92 -2.24 -0.01 -4.94 114.28 111.73 1jke n THR 20 Ca 0.13 -0.25 -0.16 0.00 -2.27 0.00 0.00 64.05 61.50 1jke n THR 20 Cb 0.40 -0.06 -0.06 0.00 -2.10 0.00 0.00 70.33 68.50 1jke n THR 20 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1jke s GLY 21 N -3.34 -0.54 -0.24 3.38 0.00 -1.11 -4.53 107.32 100.94 1jke s GLY 21 Ca -0.03 1.62 -0.22 0.00 0.00 0.00 0.00 44.72 46.08 1jke s GLY 21 CO 0.35 1.22 0.64 1.85 0.00 0.00 0.00 173.10 177.17 1jke s GLU 22 N -0.68 0.75 0.13 2.90 2.12 -1.26 -1.13 118.70 121.53 1jke s GLU 22 Ca -0.07 0.90 -0.01 0.00 0.36 0.00 0.00 54.97 56.15 1jke s GLU 22 Cb -0.02 0.36 -0.04 0.00 0.26 0.00 0.00 34.13 34.70 1jke s GLU 22 CO 0.06 -0.09 0.06 0.96 -0.54 0.00 0.00 175.26 175.71 1jke s ILE 23 N 0.35 0.10 0.00 -3.70 -4.36 0.01 -4.88 121.20 108.73 1jke s ILE 23 Ca -0.00 -1.90 0.00 0.00 -0.26 0.00 0.00 60.65 58.49 1jke s ILE 23 Cb -0.04 -2.03 0.00 0.00 1.25 0.00 0.00 42.46 41.63 1jke s ILE 23 CO 0.01 -0.47 0.00 0.61 0.24 0.00 0.00 174.94 175.32 1jke n GLY 24 N -0.09 0.58 3.77 6.27 0.00 -1.26 -1.92 105.19 112.53 1jke n GLY 24 Ca -0.06 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.57 1jke n GLY 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jke s ALA 25 N -3.23 3.18 0.00 4.61 0.00 -0.93 -2.90 121.76 122.49 1jke s ALA 25 Ca 0.00 1.19 0.00 0.00 0.00 0.00 0.00 51.96 53.15 1jke s ALA 25 Cb 0.00 -3.48 0.00 0.00 0.00 0.00 0.00 23.12 19.64 1jke s ALA 25 CO 0.00 -0.84 0.00 0.41 0.00 0.00 0.00 175.76 175.33 1jke n GLY 26 N 0.64 -0.26 3.12 0.00 0.00 -0.51 -1.43 105.19 106.75 1jke n GLY 26 Ca 0.05 -0.67 -0.25 0.00 0.00 0.00 0.00 46.02 45.15 1jke n GLY 26 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1jke s LEU 27 N 0.00 1.92 -0.24 0.99 1.43 -0.23 -1.30 118.68 121.26 1jke s LEU 27 Ca 0.00 -0.32 -0.13 0.00 -1.03 0.00 0.00 54.13 52.65 1jke s LEU 27 Cb 0.00 -0.89 -0.05 0.00 0.03 0.00 0.00 46.19 45.28 1jke s LEU 27 CO 0.00 0.15 0.25 -0.22 0.23 0.00 0.00 176.35 176.77 1jke s LEU 28 N -0.04 4.11 -0.29 1.79 2.96 -0.56 -1.14 118.68 125.50 1jke s LEU 28 Ca -0.01 0.23 -0.03 0.00 -0.22 0.00 0.00 54.13 54.10 1jke s LEU 28 Cb -0.10 -2.26 0.04 0.00 0.50 0.00 0.00 46.19 44.38 1jke s LEU 28 CO 0.01 -0.02 0.00 -0.69 -1.32 0.00 0.00 176.35 174.34 1jke s VAL 29 N 1.33 3.12 -0.30 1.68 1.01 0.96 -1.81 120.40 126.39 1jke s VAL 29 Ca 0.11 -1.24 -0.17 0.00 0.00 0.00 0.00 61.98 60.68 1jke s VAL 29 Cb -0.14 -2.74 -0.02 0.00 0.00 0.00 0.00 36.38 33.48 1jke s VAL 29 CO 0.07 -0.04 0.49 -0.76 0.00 0.00 0.00 175.10 174.86 1jke s LEU 30 N 1.30 4.17 -0.21 3.92 1.43 -0.55 -0.57 118.68 128.17 1jke s LEU 30 Ca -0.03 0.26 -0.08 0.00 -1.03 0.00 0.00 54.13 53.25 1jke s LEU 30 Cb -0.19 -2.59 -0.04 0.00 0.03 0.00 0.00 46.19 43.40 1jke s LEU 30 CO -0.01 -0.35 0.08 -0.22 0.23 0.00 0.00 176.35 176.08 1jke s LEU 31 N 2.31 3.75 -0.24 1.79 2.96 -0.00 -1.19 118.68 128.06 1jke s LEU 31 Ca 0.19 -0.00 -0.02 0.00 -0.22 0.00 0.00 54.13 54.08 1jke s LEU 31 Cb -0.16 -1.97 0.02 0.00 0.50 0.00 0.00 46.19 44.58 1jke s LEU 31 CO 0.11 0.09 -0.07 -0.83 -1.32 0.00 0.00 176.35 174.33 1jke s GLY 32 N 0.87 1.60 -0.15 7.98 0.00 0.59 -0.46 107.32 117.75 1jke s GLY 32 Ca 0.04 -1.38 -0.19 0.00 0.00 0.00 0.00 44.72 43.20 1jke s GLY 32 CO 0.03 0.48 0.52 0.14 0.00 0.00 0.00 173.10 174.26 1jke s VAL 33 N 1.35 5.14 0.26 1.40 1.01 -1.26 -0.46 120.40 127.83 1jke s VAL 33 Ca 0.02 1.00 -0.02 0.00 0.00 0.00 0.00 61.98 62.99 1jke s VAL 33 Cb -0.16 -3.85 -0.04 0.00 0.00 0.00 0.00 36.38 32.33 1jke s VAL 33 CO -0.05 0.25 0.47 -1.61 0.00 0.00 0.00 175.10 174.15 1jke s GLU 34 N 1.12 3.55 0.27 2.72 2.02 -1.26 -1.39 118.70 125.72 1jke s GLU 34 Ca 0.26 -0.25 -0.07 0.00 0.02 0.00 0.00 54.97 54.93 1jke s GLU 34 Cb -0.15 -2.75 0.46 0.00 0.10 0.00 0.00 34.13 31.79 1jke s GLU 34 CO 0.11 0.30 1.58 -0.22 0.02 0.00 0.00 175.26 177.05 1jke h LYS 35 N 1.65 0.01 -0.67 1.61 3.64 -1.16 -1.60 116.57 120.07 1jke h LYS 35 Ca -0.48 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.90 1jke h LYS 35 Cb 1.20 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.01 1jke h LYS 35 CO 0.66 0.01 0.00 -0.25 -2.27 0.00 0.00 179.45 177.60 1jke n ASP 36 N -5.53 4.47 -4.72 4.20 8.00 -1.26 -4.83 116.55 116.88 1jke n ASP 36 Ca 0.15 -2.35 -0.35 0.00 0.71 0.00 0.00 54.79 52.96 1jke n ASP 36 Cb 0.51 -0.55 0.10 0.00 -0.02 0.00 0.00 41.12 41.15 1jke n ASP 36 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 1jke s ASP 37 N -0.90 4.13 0.20 -2.24 1.01 -0.60 -5.03 116.67 113.24 1jke s ASP 37 Ca 0.49 2.44 0.01 0.00 0.71 0.00 0.00 52.55 56.20 1jke s ASP 37 Cb 0.31 -2.60 -0.00 0.00 1.01 0.00 0.00 42.92 41.63 1jke s ASP 37 CO 0.25 -2.31 0.24 -0.90 0.21 0.00 0.00 175.17 172.66 1jke n ASP 38 N -2.65 -0.65 -0.14 0.27 5.68 -1.26 -5.02 116.55 112.78 1jke n ASP 38 Ca 0.14 -2.19 0.02 0.00 -0.50 0.00 0.00 54.79 52.26 1jke n ASP 38 Cb 0.50 1.29 0.32 0.00 -1.14 0.00 0.00 41.12 42.09 1jke n ASP 38 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 1jke h GLU 39 N 0.00 0.81 -0.83 0.11 5.08 -1.99 -1.99 114.58 115.77 1jke h GLU 39 Ca -0.15 -0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 58.13 1jke h GLU 39 Cb 0.71 -0.18 -0.04 0.00 0.50 0.00 0.00 28.75 29.73 1jke h GLU 39 CO 0.21 0.54 0.39 1.96 -1.00 0.00 0.00 179.01 181.11 1jke h GLN 40 N 0.84 1.20 -0.47 2.33 4.20 -1.99 0.18 115.11 121.40 1jke h GLN 40 Ca 0.24 -0.18 -0.05 0.00 0.06 0.00 0.00 58.65 58.72 1jke h GLN 40 Cb -0.06 -0.21 -0.02 0.00 0.30 0.00 0.00 27.48 27.49 1jke h GLN 40 CO -0.05 0.92 0.10 0.87 -0.67 0.00 0.00 178.83 180.00 1jke h LYS 41 N 1.18 0.76 -0.53 1.46 1.79 -1.80 -1.62 116.57 117.82 1jke h LYS 41 Ca 0.28 -0.19 -0.01 0.00 -2.18 0.00 0.00 60.65 58.55 1jke h LYS 41 Cb 0.13 -0.10 -0.03 0.00 -1.58 0.00 0.00 32.23 30.66 1jke h LYS 41 CO -0.03 0.76 0.30 0.00 -1.08 0.00 0.00 179.45 179.40 1jke h ALA 42 N 0.97 0.68 -0.22 3.86 0.00 -0.78 -0.06 119.26 123.72 1jke h ALA 42 Ca 0.15 -0.09 0.03 0.00 0.00 0.00 0.00 54.91 54.99 1jke h ALA 42 Cb 0.35 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 1jke h ALA 42 CO 0.00 0.19 0.05 -0.91 0.00 0.00 0.00 179.25 178.59 1jke h ASN 43 N 0.71 0.03 -0.34 0.00 -0.26 -0.44 -0.72 115.58 114.56 1jke h ASN 43 Ca 0.19 0.03 -0.03 0.00 -0.56 0.00 0.00 56.30 55.93 1jke h ASN 43 Cb 0.03 0.03 -0.01 0.00 -1.06 0.00 0.00 38.32 37.31 1jke h ASN 43 CO -0.03 0.05 0.11 -0.09 -1.06 0.00 0.00 177.43 176.41 1jke h ARG 44 N 0.14 0.52 -0.83 0.81 9.65 -1.04 -1.93 114.38 121.70 1jke h ARG 44 Ca 0.10 -0.11 -0.03 0.00 -1.10 0.00 0.00 59.98 58.84 1jke h ARG 44 Cb 0.08 -0.08 -0.04 0.00 -1.39 0.00 0.00 29.97 28.55 1jke h ARG 44 CO -0.12 0.55 0.41 1.25 2.80 0.00 0.00 179.97 184.85 1jke h LEU 45 N 0.40 1.08 -0.54 3.80 5.85 -0.84 -1.46 115.31 123.60 1jke h LEU 45 Ca 0.11 -0.13 0.03 0.00 0.84 0.00 0.00 57.88 58.73 1jke h LEU 45 Cb 0.23 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 40.95 1jke h LEU 45 CO -0.00 0.91 0.32 0.00 -0.34 0.00 0.00 178.44 179.32 1jke h GLU 47 N 0.62 1.05 -0.43 0.00 4.81 -0.74 -1.29 114.58 118.60 1jke h GLU 47 Ca 0.22 -0.07 -0.14 0.00 -0.13 0.00 0.00 59.36 59.25 1jke h GLU 47 Cb 0.05 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 29.18 1jke h GLU 47 CO -0.11 0.70 -0.27 0.00 -0.73 0.00 0.00 179.01 178.60 1jke h ARG 48 N 1.07 0.91 0.08 1.92 3.08 -0.62 -1.66 114.38 119.17 1jke h ARG 48 Ca 0.29 -0.41 -0.00 0.00 0.07 0.00 0.00 59.98 59.93 1jke h ARG 48 Cb -0.11 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 29.92 1jke h ARG 48 CO -0.06 1.06 -0.04 0.28 -1.07 0.00 0.00 179.97 180.14 1jke h VAL 49 N 0.78 1.08 0.00 2.04 2.07 -0.69 -0.02 116.25 121.50 1jke h VAL 49 Ca 0.09 -0.60 0.00 0.00 0.82 0.00 0.00 66.70 67.01 1jke h VAL 49 Cb 0.83 1.47 0.00 0.00 -1.52 0.00 0.00 31.29 32.07 1jke h VAL 49 CO 0.07 0.15 0.00 -0.07 0.02 0.00 0.00 177.57 177.74 1jke h LEU 50 N -0.39 0.00 -0.53 2.57 3.38 -1.27 -3.09 115.31 115.98 1jke h LEU 50 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1jke h LEU 50 Cb 0.33 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.08 1jke h LEU 50 CO 0.02 0.00 -0.45 0.61 0.09 0.00 0.00 178.44 178.71 1jke n GLY 51 N 0.10 -0.17 3.68 0.83 0.00 -0.63 -3.94 105.19 105.06 1jke n GLY 51 Ca 0.02 -0.42 -0.42 0.00 0.00 0.00 0.00 46.02 45.20 1jke n GLY 51 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1jke s TYR 52 N -2.01 1.91 -1.20 1.61 5.04 -0.04 -4.64 117.35 118.03 1jke s TYR 52 Ca 0.10 -0.04 -0.18 0.00 -2.44 0.00 0.00 57.07 54.51 1jke s TYR 52 Cb 0.12 -4.11 0.10 0.00 0.35 0.00 0.00 41.96 38.42 1jke s TYR 52 CO 0.46 -4.68 1.55 1.03 -1.34 0.00 0.00 175.55 172.57 1jke s ARG 53 N 3.46 3.92 -0.01 4.97 0.52 -1.26 -4.12 118.95 126.42 1jke s ARG 53 Ca 0.80 -2.00 0.01 0.00 -0.52 0.00 0.00 55.73 54.03 1jke s ARG 53 Cb -0.41 -5.32 0.02 0.00 0.52 0.00 0.00 34.95 29.75 1jke s ARG 53 CO 0.36 -2.07 0.89 0.44 0.02 0.00 0.00 175.30 174.94 1jke n ILE 54 N 5.90 0.79 -4.04 1.52 -5.35 -0.86 -4.34 119.36 112.99 1jke n ILE 54 Ca 0.41 -0.82 -0.32 0.00 -0.27 0.00 0.00 62.75 61.75 1jke n ILE 54 Cb 0.46 0.57 -0.06 0.00 -1.74 0.00 0.00 39.64 38.87 1jke n ILE 54 CO 0.00 0.00 0.00 -0.36 -1.76 0.00 0.00 176.55 174.43 1jke s PHE 55 N -0.86 3.33 0.39 4.28 0.40 -0.04 -4.86 117.98 120.62 1jke s PHE 55 Ca 0.02 0.21 -0.26 0.00 -0.60 0.00 0.00 56.93 56.30 1jke s PHE 55 Cb 0.02 -1.73 -0.09 0.00 0.51 0.00 0.00 43.02 41.73 1jke s PHE 55 CO 0.00 0.57 1.21 -1.12 0.70 0.00 0.00 175.22 176.58 1jke s SER 56 N -1.99 6.52 0.00 1.36 0.01 -1.26 -1.32 113.70 117.02 1jke s SER 56 Ca 0.26 2.45 0.00 0.00 1.31 0.00 0.00 55.95 59.97 1jke s SER 56 Cb -0.12 -2.62 0.00 0.00 0.21 0.00 0.00 66.02 63.48 1jke s SER 56 CO 0.18 -0.68 0.00 -0.90 0.41 0.00 0.00 173.24 172.25 1jke n ASP 57 N 0.21 0.00 -0.19 2.44 5.68 0.73 -4.76 116.55 120.66 1jke n ASP 57 Ca 0.03 0.00 -0.08 0.00 -0.50 0.00 0.00 54.79 54.25 1jke n ASP 57 Cb 0.45 0.00 0.06 0.00 -1.14 0.00 0.00 41.12 40.49 1jke n ASP 57 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1jke h ALA 58 N -1.30 0.91 -0.20 2.12 0.00 -1.97 -2.46 119.26 116.37 1jke h ALA 58 Ca 0.00 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.60 1jke h ALA 58 Cb 0.00 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 1jke h ALA 58 CO 0.00 0.65 0.01 0.39 0.00 0.00 0.00 179.25 180.30 1jke n GLU 59 N -4.19 2.25 -1.94 0.00 1.02 -1.26 -4.85 120.64 111.66 1jke n GLU 59 Ca 0.03 -1.04 -0.19 0.00 -0.02 0.00 0.00 57.16 55.94 1jke n GLU 59 Cb 0.33 -1.74 -0.05 0.00 -0.02 0.00 0.00 31.44 29.97 1jke n GLU 59 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1jke n GLY 60 N 0.19 0.73 3.79 0.62 0.00 -0.93 -4.98 105.19 104.62 1jke n GLY 60 Ca 0.10 -0.10 -0.36 0.00 0.00 0.00 0.00 46.02 45.65 1jke n GLY 60 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jke s LYS 61 N -4.25 3.54 -0.67 1.61 1.02 -1.26 -4.69 119.74 115.04 1jke s LYS 61 Ca 0.00 -0.22 -0.26 0.00 0.02 0.00 0.00 55.97 55.51 1jke s LYS 61 Cb 0.00 -3.16 -0.05 0.00 -0.52 0.00 0.00 37.83 34.10 1jke s LYS 61 CO 0.00 0.63 2.07 1.41 -0.92 0.00 0.00 175.35 178.54 1jke s MET 62 N -0.62 2.36 0.00 1.68 -2.45 -1.26 -0.19 119.30 118.82 1jke s MET 62 Ca 0.12 0.58 0.00 0.00 -1.25 0.00 0.00 55.69 55.14 1jke s MET 62 Cb -0.12 -4.63 0.00 0.00 1.25 0.00 0.00 34.83 31.33 1jke s MET 62 CO 0.02 -3.22 0.00 0.09 1.05 0.00 0.00 175.02 172.97 1jke n ASN 63 N 14.49 0.00 -4.71 1.11 3.02 -0.44 -4.84 115.26 123.90 1jke n ASN 63 Ca 0.32 0.00 -0.29 0.00 -0.03 0.00 0.00 54.58 54.57 1jke n ASN 63 Cb 0.51 0.00 -0.07 0.00 -0.61 0.00 0.00 39.78 39.60 1jke n ASN 63 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1jke s LEU 64 N 0.00 3.52 0.69 3.41 1.43 -0.53 -4.84 118.68 122.36 1jke s LEU 64 Ca 0.00 -0.18 -0.03 0.00 -1.03 0.00 0.00 54.13 52.89 1jke s LEU 64 Cb 0.00 -2.22 0.09 0.00 0.03 0.00 0.00 46.19 44.09 1jke s LEU 64 CO 0.00 0.15 0.97 0.54 0.23 0.00 0.00 176.35 178.24 1jke s ASN 65 N -2.48 4.60 0.44 2.29 2.20 -1.26 -0.86 114.94 119.87 1jke s ASN 65 Ca 0.27 -0.04 0.11 0.00 -0.94 0.00 0.00 52.86 52.26 1jke s ASN 65 Cb -0.11 -0.50 1.01 0.00 -2.00 0.00 0.00 41.25 39.64 1jke s ASN 65 CO 0.19 -1.68 2.06 1.62 -2.94 0.00 0.00 177.10 176.35 1jke h VAL 66 N -0.47 1.02 -0.21 3.54 3.04 -1.72 -1.06 116.25 120.39 1jke h VAL 66 Ca -0.40 -0.13 -0.08 0.00 -1.01 0.00 0.00 66.70 65.08 1jke h VAL 66 Cb 1.28 0.61 -0.00 0.00 -2.01 0.00 0.00 31.29 31.17 1jke h VAL 66 CO 0.48 0.07 -0.18 1.56 -1.01 0.00 0.00 177.57 178.49 1jke h GLN 67 N 0.38 0.50 -0.29 4.17 4.20 -1.85 0.90 115.11 123.12 1jke h GLN 67 Ca 0.15 -0.25 -0.09 0.00 0.06 0.00 0.00 58.65 58.52 1jke h GLN 67 Cb 0.12 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.89 1jke h GLN 67 CO -0.03 0.82 -0.20 1.96 -0.67 0.00 0.00 178.83 180.71 1jke h GLN 68 N 0.18 0.53 0.00 1.46 4.20 -1.80 -2.11 115.11 117.57 1jke h GLN 68 Ca 0.04 -0.18 0.00 0.00 0.06 0.00 0.00 58.65 58.57 1jke h GLN 68 Cb 0.71 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.45 1jke h GLN 68 CO 0.05 0.70 0.00 0.00 -0.67 0.00 0.00 178.83 178.91 1jke n ALA 69 N -2.49 2.25 -2.05 3.87 0.00 -0.44 -4.88 120.51 116.77 1jke n ALA 69 Ca 0.00 -0.11 -0.10 0.00 0.00 0.00 0.00 53.44 53.23 1jke n ALA 69 Cb 0.38 -1.41 -0.01 0.00 0.00 0.00 0.00 19.45 18.41 1jke n ALA 69 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jke n GLY 70 N 0.88 0.14 3.98 0.00 0.00 -0.79 -5.02 105.19 104.38 1jke n GLY 70 Ca 0.11 -0.48 -0.25 0.00 0.00 0.00 0.00 46.02 45.40 1jke n GLY 70 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1jke s GLY 71 N -2.60 1.76 0.45 -0.02 0.00 0.28 -5.00 107.32 102.19 1jke s GLY 71 Ca 0.00 -1.70 0.05 0.00 0.00 0.00 0.00 44.72 43.07 1jke s GLY 71 CO 0.00 -1.07 0.02 -0.56 0.00 0.00 0.00 173.10 171.49 1jke s SER 72 N -4.79 4.02 -0.03 1.64 0.01 -0.51 -4.74 113.70 109.30 1jke s SER 72 Ca 0.68 -1.47 0.03 0.00 1.31 0.00 0.00 55.95 56.50 1jke s SER 72 Cb -0.04 -0.02 0.00 0.00 0.21 0.00 0.00 66.02 66.17 1jke s SER 72 CO 0.46 -0.63 -0.10 0.68 0.41 0.00 0.00 173.24 174.07 1jke s VAL 73 N -2.77 0.85 -0.22 3.43 -7.23 -0.61 -1.06 120.40 112.78 1jke s VAL 73 Ca 0.24 -0.38 0.00 0.00 -1.81 0.00 0.00 61.98 60.02 1jke s VAL 73 Cb 0.06 -0.76 0.03 0.00 0.56 0.00 0.00 36.38 36.27 1jke s VAL 73 CO 0.12 0.27 -0.12 -0.22 -0.31 0.00 0.00 175.10 174.84 1jke s LEU 74 N 0.27 2.80 -0.20 1.32 2.96 -0.29 -0.78 118.68 124.75 1jke s LEU 74 Ca -0.05 -0.84 -0.08 0.00 -0.22 0.00 0.00 54.13 52.95 1jke s LEU 74 Cb -0.10 -1.58 -0.04 0.00 0.50 0.00 0.00 46.19 44.97 1jke s LEU 74 CO 0.01 -0.08 0.08 -0.69 -1.32 0.00 0.00 176.35 174.35 1jke s VAL 75 N 1.28 4.82 -0.06 1.68 1.01 -0.04 -0.03 120.40 129.07 1jke s VAL 75 Ca 0.01 -0.02 0.03 0.00 0.00 0.00 0.00 61.98 62.00 1jke s VAL 75 Cb -0.16 -3.20 0.01 0.00 0.00 0.00 0.00 36.38 33.04 1jke s VAL 75 CO -0.08 0.42 -0.12 -0.69 0.00 0.00 0.00 175.10 174.63 1jke s VAL 76 N 0.67 1.13 0.21 2.92 1.01 0.26 -1.81 120.40 124.79 1jke s VAL 76 Ca 0.04 -0.49 -0.30 0.00 0.00 0.00 0.00 61.98 61.23 1jke s VAL 76 Cb -0.13 -1.02 -0.09 0.00 0.00 0.00 0.00 36.38 35.13 1jke s VAL 76 CO 0.02 0.35 1.37 -0.55 0.00 0.00 0.00 175.10 176.29 1jke s SER 77 N 0.54 6.79 -0.31 3.32 0.15 -1.26 -0.82 113.70 122.10 1jke s SER 77 Ca -0.12 2.51 -0.01 0.00 0.70 0.00 0.00 55.95 59.03 1jke s SER 77 Cb -0.15 -2.61 0.13 0.00 -1.71 0.00 0.00 66.02 61.68 1jke s SER 77 CO 0.03 -0.61 0.24 -1.58 1.20 0.00 0.00 173.24 172.52 1jke s GLN 78 N -0.12 0.37 0.34 5.44 2.00 0.39 -4.79 119.66 123.30 1jke s GLN 78 Ca 0.58 -0.59 0.04 0.00 -2.00 0.00 0.00 55.36 53.40 1jke s GLN 78 Cb -0.39 -0.94 0.62 0.00 0.80 0.00 0.00 33.01 33.10 1jke s GLN 78 CO 0.40 -1.09 1.89 0.74 -0.50 0.00 0.00 175.29 176.73 1jke h PHE 79 N 7.89 0.56 0.00 1.67 -1.00 -1.95 -3.19 116.94 120.92 1jke h PHE 79 Ca -0.09 -0.05 0.00 0.00 2.81 0.00 0.00 57.97 60.64 1jke h PHE 79 Cb 1.03 -0.17 0.00 0.00 3.61 0.00 0.00 35.95 40.43 1jke h PHE 79 CO 0.32 0.52 0.00 1.79 -1.61 0.00 0.00 178.31 179.33 1jke h THR 80 N 0.53 0.00 -0.28 -1.55 1.35 -1.95 -2.90 112.91 108.10 1jke h THR 80 Ca 0.12 -0.01 -0.10 0.00 -0.55 0.00 0.00 66.41 65.86 1jke h THR 80 Cb 0.28 0.97 -0.01 0.00 -1.73 0.00 0.00 68.15 67.66 1jke h THR 80 CO 0.00 0.00 -0.24 -0.07 -0.25 0.00 0.00 175.52 174.96 1jke h LEU 81 N 0.00 0.55 -0.47 3.87 3.38 -1.93 -2.66 115.31 118.04 1jke h LEU 81 Ca 0.00 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.78 1jke h LEU 81 Cb 0.02 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.62 1jke h LEU 81 CO 0.00 0.79 0.00 0.00 0.09 0.00 0.00 178.44 179.32 1jke n ALA 82 N -2.49 2.48 -1.81 1.53 0.00 -1.10 -4.89 120.51 114.24 1jke n ALA 82 Ca -0.00 -0.22 -0.33 0.00 0.00 0.00 0.00 53.44 52.89 1jke n ALA 82 Cb 0.41 -0.99 -0.05 0.00 0.00 0.00 0.00 19.45 18.82 1jke n ALA 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1jke s ALA 83 N -1.83 2.99 -0.38 0.00 0.00 -1.01 -3.99 121.76 117.55 1jke s ALA 83 Ca 0.08 0.37 -0.18 0.00 0.00 0.00 0.00 51.96 52.23 1jke s ALA 83 Cb 0.04 -3.17 0.01 0.00 0.00 0.00 0.00 23.12 20.01 1jke s ALA 83 CO 0.06 -0.14 0.49 0.34 0.00 0.00 0.00 175.76 176.51 1jke s ASP 84 N -2.47 6.26 -0.61 0.00 2.15 1.00 -4.92 116.67 118.08 1jke s ASP 84 Ca 0.62 -0.30 0.02 0.00 0.43 0.00 0.00 52.55 53.33 1jke s ASP 84 Cb -0.11 -2.25 0.39 0.00 -0.30 0.00 0.00 42.92 40.64 1jke s ASP 84 CO 0.22 -0.54 1.43 0.35 -0.17 0.00 0.00 175.17 176.45 1jke n THR 85 N 5.48 3.00 -0.07 1.71 -2.24 -1.26 -2.91 114.28 117.99 1jke n THR 85 Ca -0.05 -4.83 -0.09 0.00 -2.27 0.00 0.00 64.05 56.80 1jke n THR 85 Cb 0.48 -1.28 -0.07 0.00 -2.10 0.00 0.00 70.33 67.36 1jke n THR 85 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1jke h GLU 86 N 2.82 0.00 -4.51 -0.78 5.08 -1.95 -3.49 114.58 111.75 1jke h GLU 86 Ca 0.38 0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 58.53 1jke h GLU 86 Cb 0.57 0.00 -0.15 0.00 0.50 0.00 0.00 28.75 29.67 1jke h GLU 86 CO 1.05 0.55 -0.64 1.03 -1.00 0.00 0.00 179.01 180.00 1jke s ARG 87 N -1.98 1.00 0.08 2.33 0.52 -1.26 -5.12 118.95 114.52 1jke s ARG 87 Ca -0.12 -1.49 0.00 0.00 -0.52 0.00 0.00 55.73 53.60 1jke s ARG 87 Cb -0.01 0.17 0.00 0.00 0.52 0.00 0.00 34.95 35.63 1jke s ARG 87 CO 0.39 -0.27 0.00 0.41 0.02 0.00 0.00 175.30 175.85 1jke n GLY 88 N -0.15 -2.61 0.49 -3.53 0.00 -1.26 -4.64 105.19 93.50 1jke n GLY 88 Ca -0.04 -1.41 0.13 0.00 0.00 0.00 0.00 46.02 44.71 1jke n GLY 88 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1jke n MET 89 N -2.38 1.56 -4.45 1.61 2.81 -1.26 -4.82 117.12 110.19 1jke n MET 89 Ca -0.01 -0.98 -0.34 0.00 -1.81 0.00 0.00 57.70 54.56 1jke n MET 89 Cb 0.09 -1.48 -0.14 0.00 -0.71 0.00 0.00 33.22 30.98 1jke n MET 89 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 1jke s ARG 90 N -2.11 3.42 0.55 0.03 0.52 -1.26 -5.11 118.95 114.99 1jke s ARG 90 Ca 0.34 -0.64 -0.19 0.00 -0.52 0.00 0.00 55.73 54.71 1jke s ARG 90 Cb 0.20 -2.78 -0.05 0.00 0.52 0.00 0.00 34.95 32.84 1jke s ARG 90 CO 0.38 0.09 1.15 -2.14 0.02 0.00 0.00 175.30 174.80 1jke s PRO 91 N 0.69 3.27 -0.21 3.54 0.02 -1.26 -4.98 135.00 136.07 1jke s PRO 91 Ca -0.05 1.68 0.02 0.00 0.02 0.00 0.00 61.00 62.67 1jke s PRO 91 Cb -0.15 -2.00 0.04 0.00 0.02 0.00 0.00 34.50 32.40 1jke s PRO 91 CO 0.02 -0.93 -0.16 -1.54 -0.33 0.00 0.00 177.00 174.06 1jke s SER 92 N -1.70 3.59 -0.92 2.53 1.04 -1.14 -4.95 113.70 112.14 1jke s SER 92 Ca 0.74 -0.92 -0.02 0.00 0.48 0.00 0.00 55.95 56.22 1jke s SER 92 Cb -0.26 -1.47 0.30 0.00 0.10 0.00 0.00 66.02 64.69 1jke s SER 92 CO 0.29 -0.08 2.03 0.49 0.98 0.00 0.00 173.24 176.95 1jke n PHE 93 N 4.57 2.76 0.35 5.02 3.01 -1.26 -0.00 117.46 131.91 1jke n PHE 93 Ca -0.18 -2.41 0.12 0.00 1.01 0.00 0.00 57.45 55.99 1jke n PHE 93 Cb 0.47 -1.25 0.20 0.00 -0.01 0.00 0.00 39.48 38.89 1jke n PHE 93 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 1jke h SER 94 N 3.57 0.00 -0.02 4.37 0.87 -1.96 -3.26 113.55 117.12 1jke h SER 94 Ca 0.55 -0.03 0.00 0.00 -1.23 0.00 0.00 61.79 61.09 1jke h SER 94 Cb 0.21 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.17 1jke h SER 94 CO 1.30 0.01 -0.15 0.29 -0.53 0.00 0.00 176.83 177.75 1jke n LYS 95 N -2.69 1.72 -3.37 2.24 4.01 -1.26 -4.92 118.16 113.89 1jke n LYS 95 Ca 0.04 -1.44 -0.34 0.00 -0.51 0.00 0.00 58.31 56.05 1jke n LYS 95 Cb 0.50 -1.39 -0.06 0.00 -0.51 0.00 0.00 35.03 33.57 1jke n LYS 95 CO 0.00 0.00 0.00 0.20 -1.11 0.00 0.00 177.40 176.49 1jke s GLY 96 N -1.90 2.41 0.70 0.72 0.00 -1.23 -0.82 107.32 107.20 1jke s GLY 96 Ca 0.21 -0.17 -0.13 0.00 0.00 0.00 0.00 44.72 44.64 1jke s GLY 96 CO 0.34 0.08 1.08 0.00 0.00 0.00 0.00 173.10 174.60 1jke s ALA 97 N -1.56 2.48 0.83 3.20 0.00 -0.49 -4.26 121.76 121.96 1jke s ALA 97 Ca 0.40 0.32 -0.11 0.00 0.00 0.00 0.00 51.96 52.58 1jke s ALA 97 Cb -0.14 -3.26 0.09 0.00 0.00 0.00 0.00 23.12 19.81 1jke s ALA 97 CO 0.20 -1.37 1.09 -1.54 0.00 0.00 0.00 175.76 174.14 1jke s SER 98 N -3.17 4.04 0.18 0.00 1.04 -1.26 -4.65 113.70 109.88 1jke s SER 98 Ca 0.62 1.72 -0.18 0.00 0.48 0.00 0.00 55.95 58.60 1jke s SER 98 Cb -0.17 -2.40 0.14 0.00 0.10 0.00 0.00 66.02 63.69 1jke s SER 98 CO 0.49 -2.32 1.62 -0.65 0.98 0.00 0.00 173.24 173.36 1jke h PRO 99 N -1.32 -0.10 -0.35 4.02 0.11 -1.98 0.22 132.00 132.59 1jke h PRO 99 Ca -0.46 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1jke h PRO 99 Cb 1.25 0.02 -0.02 0.00 0.11 0.00 0.00 31.00 32.37 1jke h PRO 99 CO 0.52 -0.07 0.23 -0.44 -0.21 0.00 0.00 178.00 178.03 1jke h ASP 100 N -0.11 0.41 -0.43 -2.05 3.32 -1.99 -0.14 116.42 115.42 1jke h ASP 100 Ca 0.23 -0.01 -0.13 0.00 0.02 0.00 0.00 57.03 57.14 1jke h ASP 100 Cb 0.47 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.91 1jke h ASP 100 CO -0.56 0.30 -0.23 -0.09 -1.72 0.00 0.00 179.24 176.93 1jke h ARG 101 N 0.48 0.92 -0.61 3.56 9.65 -1.83 -1.14 114.38 125.41 1jke h ARG 101 Ca 0.13 -0.41 -0.00 0.00 -1.10 0.00 0.00 59.98 58.59 1jke h ARG 101 Cb -0.05 -0.02 -0.03 0.00 -1.39 0.00 0.00 29.97 28.48 1jke h ARG 101 CO -0.03 1.07 0.37 0.00 2.80 0.00 0.00 179.97 184.18 1jke h ALA 102 N 0.83 0.78 -0.29 2.80 0.00 -0.39 -1.26 119.26 121.74 1jke h ALA 102 Ca 0.09 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 1jke h ALA 102 Cb 0.81 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 1jke h ALA 102 CO 0.07 0.25 0.05 1.49 0.00 0.00 0.00 179.25 181.11 1jke h GLU 103 N 0.83 0.48 -0.39 0.00 4.81 -0.88 -0.44 114.58 118.99 1jke h GLU 103 Ca 0.22 -0.13 0.05 0.00 -0.13 0.00 0.00 59.36 59.38 1jke h GLU 103 Cb -0.03 -0.06 -0.05 0.00 0.63 0.00 0.00 28.75 29.25 1jke h GLU 103 CO -0.04 0.58 0.11 0.00 -0.73 0.00 0.00 179.01 178.93 1jke h ALA 104 N 0.88 0.44 0.00 2.92 0.00 -0.90 0.52 119.26 123.12 1jke h ALA 104 Ca 0.09 0.06 -0.11 0.00 0.00 0.00 0.00 54.91 54.95 1jke h ALA 104 Cb 0.33 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 1jke h ALA 104 CO 0.01 -0.29 -0.51 -0.07 0.00 0.00 0.00 179.25 178.39 1jke h LEU 105 N 0.25 0.00 -0.15 0.00 3.38 -1.17 -1.73 115.31 115.89 1jke h LEU 105 Ca 0.18 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.12 1jke h LEU 105 Cb 0.19 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.94 1jke h LEU 105 CO -0.21 0.51 -0.04 0.22 0.09 0.00 0.00 178.44 179.01 1jke h TYR 106 N 0.00 0.33 -0.79 1.13 3.20 -0.50 0.75 116.97 121.09 1jke h TYR 106 Ca -0.01 -0.07 -0.02 0.00 3.14 0.00 0.00 58.73 61.77 1jke h TYR 106 Cb 1.08 -0.08 -0.04 0.00 1.54 0.00 0.00 36.73 39.23 1jke h TYR 106 CO 0.00 0.57 0.39 -0.44 -1.64 0.00 0.00 178.16 177.05 1jke h ASP 107 N -0.01 1.01 -0.33 -2.11 3.32 -0.81 -0.53 116.42 116.97 1jke h ASP 107 Ca 0.04 -0.11 -0.05 0.00 0.02 0.00 0.00 57.03 56.93 1jke h ASP 107 Cb 0.47 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.75 1jke h ASP 107 CO 0.02 0.84 0.02 0.22 -1.72 0.00 0.00 179.24 178.61 1jke h TYR 108 N 1.12 0.62 -0.58 4.55 3.20 -1.16 -1.58 116.97 123.13 1jke h TYR 108 Ca 0.27 -0.10 0.02 0.00 3.14 0.00 0.00 58.73 62.07 1jke h TYR 108 Cb 0.09 -0.16 -0.04 0.00 1.54 0.00 0.00 36.73 38.16 1jke h TYR 108 CO 0.01 0.68 0.35 0.35 -1.64 0.00 0.00 178.16 177.91 1jke h PHE 109 N 0.38 0.66 -0.46 -3.82 3.57 -0.40 0.03 116.94 116.90 1jke h PHE 109 Ca 0.09 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.60 1jke h PHE 109 Cb 0.42 -0.22 -0.02 0.00 2.79 0.00 0.00 35.95 38.92 1jke h PHE 109 CO 0.03 0.38 0.24 0.28 -2.23 0.00 0.00 178.31 177.02 1jke h VAL 110 N 0.70 1.17 -0.62 1.41 2.07 -0.94 -1.39 116.25 118.66 1jke h VAL 110 Ca 0.23 -0.46 -0.04 0.00 0.82 0.00 0.00 66.70 67.26 1jke h VAL 110 Cb 0.01 0.63 -0.03 0.00 -1.52 0.00 0.00 31.29 30.38 1jke h VAL 110 CO -0.10 0.18 0.24 -0.08 0.02 0.00 0.00 177.57 177.84 1jke h GLU 111 N 0.61 0.90 -0.79 1.57 4.57 -0.85 -1.53 114.58 119.06 1jke h GLU 111 Ca 0.16 -0.14 -0.05 0.00 -1.18 0.00 0.00 59.36 58.15 1jke h GLU 111 Cb 0.07 -0.16 -0.03 0.00 -0.16 0.00 0.00 28.75 28.47 1jke h GLU 111 CO -0.02 0.74 0.30 0.00 -1.18 0.00 0.00 179.01 178.85 1jke h ARG 112 N 0.89 1.18 -0.58 1.92 2.47 -0.51 -0.90 114.38 118.86 1jke h ARG 112 Ca 0.21 -0.22 -0.02 0.00 -1.26 0.00 0.00 59.98 58.68 1jke h ARG 112 Cb 0.18 -0.19 -0.03 0.00 -1.65 0.00 0.00 29.97 28.28 1jke h ARG 112 CO -0.02 0.97 0.28 0.00 0.56 0.00 0.00 179.97 181.76 1jke h ARG 114 N 0.79 1.03 0.00 0.00 3.08 -0.85 -2.20 114.38 116.22 1jke h ARG 114 Ca 0.20 -0.21 0.00 0.00 0.07 0.00 0.00 59.98 60.04 1jke h ARG 114 Cb 0.12 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.01 1jke h ARG 114 CO -0.02 0.88 0.00 1.96 -1.07 0.00 0.00 179.97 181.71 1jke h GLN 115 N 0.99 0.00 -0.74 0.04 4.20 -0.87 0.43 115.11 119.16 1jke h GLN 115 Ca 0.22 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.93 1jke h GLN 115 Cb 0.28 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.06 1jke h GLN 115 CO -0.01 0.00 0.00 1.04 -0.67 0.00 0.00 178.83 179.19 1jke n GLN 116 N -3.04 2.83 -3.36 1.46 1.13 -0.83 -4.87 117.38 110.70 1jke n GLN 116 Ca -0.02 -1.55 -0.24 0.00 -1.94 0.00 0.00 57.00 53.25 1jke n GLN 116 Cb 0.11 -1.82 0.03 0.00 0.11 0.00 0.00 30.24 28.67 1jke n GLN 116 CO 0.00 0.00 0.00 0.39 -1.44 0.00 0.00 177.06 176.01 1jke n GLU 117 N 0.34 -5.04 -3.92 -1.09 1.02 0.14 -4.97 120.64 107.13 1jke n GLU 117 Ca 0.14 0.72 -0.35 0.00 -0.02 0.00 0.00 57.16 57.65 1jke n GLU 117 Cb 0.68 -5.58 -0.10 0.00 -0.02 0.00 0.00 31.44 26.41 1jke n GLU 117 CO 0.00 0.00 0.00 1.41 1.18 0.00 0.00 177.13 179.72 1jke s MET 118 N -6.04 3.93 -0.34 3.49 1.75 -1.22 -5.01 119.30 115.85 1jke s MET 118 Ca 0.44 -0.36 -0.27 0.00 -1.25 0.00 0.00 55.69 54.24 1jke s MET 118 Cb -0.21 -3.28 -0.06 0.00 2.84 0.00 0.00 34.83 34.12 1jke s MET 118 CO 0.54 0.15 2.31 -1.71 -0.65 0.00 0.00 175.02 175.66 1jke n ASN 119 N 3.91 2.83 -4.21 1.11 5.15 -1.26 -4.44 115.26 118.35 1jke n ASN 119 Ca -0.16 -0.09 -0.34 0.00 -0.60 0.00 0.00 54.58 53.39 1jke n ASN 119 Cb 0.52 -1.56 -0.15 0.00 -0.53 0.00 0.00 39.78 38.06 1jke n ASN 119 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 1jke s THR 120 N 9.92 2.78 0.28 -0.44 2.01 -1.26 -1.57 115.64 127.36 1jke s THR 120 Ca 1.00 -0.85 0.08 0.00 0.31 0.00 0.00 61.69 62.24 1jke s THR 120 Cb -0.29 -2.31 -0.04 0.00 0.01 0.00 0.00 72.50 69.87 1jke s THR 120 CO 0.32 0.36 0.10 -1.10 -0.69 0.00 0.00 174.62 173.61 1jke s GLN 121 N 1.36 2.52 0.28 4.92 -1.52 0.04 -5.01 119.66 122.25 1jke s GLN 121 Ca 0.03 -1.32 -0.01 0.00 -1.95 0.00 0.00 55.36 52.11 1jke s GLN 121 Cb -0.15 -2.30 -0.02 0.00 -0.22 0.00 0.00 33.01 30.32 1jke s GLN 121 CO -0.07 0.32 0.33 0.95 -0.25 0.00 0.00 175.29 176.57 1jke s THR 122 N -2.28 0.00 0.00 -0.19 -4.23 -1.26 -0.86 115.64 106.82 1jke s THR 122 Ca 0.33 -1.79 0.00 0.00 -1.18 0.00 0.00 61.69 59.06 1jke s THR 122 Cb -0.06 -2.50 0.00 0.00 1.34 0.00 0.00 72.50 71.28 1jke s THR 122 CO 0.22 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.91 1jke n GLY 123 N -0.47 1.77 2.84 3.99 0.00 -0.75 -2.76 105.19 109.81 1jke n GLY 123 Ca 0.03 -1.84 -0.24 0.00 0.00 0.00 0.00 46.02 43.97 1jke n GLY 123 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1jke s ARG 124 N 3.46 0.94 0.22 1.61 3.52 -1.26 -4.89 118.95 122.54 1jke s ARG 124 Ca 0.00 -0.04 -0.32 0.00 -0.13 0.00 0.00 55.73 55.24 1jke s ARG 124 Cb 0.00 -1.14 -0.14 0.00 -1.56 0.00 0.00 34.95 32.11 1jke s ARG 124 CO 0.00 -0.25 1.41 0.34 -0.81 0.00 0.00 175.30 175.99 1jke n PHE 125 N 4.87 2.09 -0.37 5.12 7.35 -1.26 -2.05 117.46 133.22 1jke n PHE 125 Ca -0.12 0.43 0.00 0.00 -0.76 0.00 0.00 57.45 57.01 1jke n PHE 125 Cb 0.50 -2.45 0.00 0.00 0.35 0.00 0.00 39.48 37.88 1jke n PHE 125 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1jke n ALA 126 N 2.13 0.00 -1.86 3.13 0.00 -1.26 -4.99 120.51 117.66 1jke n ALA 126 Ca 0.13 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.24 1jke n ALA 126 Cb 0.30 -0.37 -0.07 0.00 0.00 0.00 0.00 19.45 19.32 1jke n ALA 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1jke s ALA 127 N -2.26 3.08 -0.44 0.00 0.00 -0.87 -4.98 121.76 116.29 1jke s ALA 127 Ca 0.00 0.34 -0.29 0.00 0.00 0.00 0.00 51.96 52.01 1jke s ALA 127 Cb 0.00 -3.10 0.02 0.00 0.00 0.00 0.00 23.12 20.04 1jke s ALA 127 CO 0.00 0.13 1.34 0.34 0.00 0.00 0.00 175.76 177.57 1jke s ASP 128 N -2.24 6.41 0.07 0.00 2.15 -1.26 -4.93 116.67 116.86 1jke s ASP 128 Ca 0.61 0.70 0.08 0.00 0.43 0.00 0.00 52.55 54.36 1jke s ASP 128 Cb -0.09 -2.54 -0.04 0.00 -0.30 0.00 0.00 42.92 39.95 1jke s ASP 128 CO 0.15 -1.40 -0.17 -0.04 -0.17 0.00 0.00 175.17 173.54 1jke s MET 129 N 4.84 2.00 -0.29 4.34 -1.94 -1.26 -4.38 119.30 122.61 1jke s MET 129 Ca 0.57 -1.04 -0.05 0.00 -1.71 0.00 0.00 55.69 53.46 1jke s MET 129 Cb -0.12 -2.19 0.02 0.00 2.01 0.00 0.00 34.83 34.56 1jke s MET 129 CO 0.32 0.52 0.03 -0.65 -0.01 0.00 0.00 175.02 175.23 1jke s GLN 130 N -1.75 2.92 -0.44 2.03 -1.52 -0.49 -4.97 119.66 115.44 1jke s GLN 130 Ca 0.16 -0.96 -0.14 0.00 -1.95 0.00 0.00 55.36 52.48 1jke s GLN 130 Cb -0.11 -3.25 0.06 0.00 -0.22 0.00 0.00 33.01 29.50 1jke s GLN 130 CO 0.08 -0.46 0.34 0.08 -0.25 0.00 0.00 175.29 175.07 1jke s VAL 131 N 1.42 5.01 -0.06 1.09 1.01 -1.26 -1.56 120.40 126.04 1jke s VAL 131 Ca 0.01 -1.02 -0.18 0.00 0.00 0.00 0.00 61.98 60.79 1jke s VAL 131 Cb -0.17 -3.94 -0.05 0.00 0.00 0.00 0.00 36.38 32.21 1jke s VAL 131 CO 0.00 -0.48 0.49 -0.44 0.00 0.00 0.00 175.10 174.67 1jke s SER 132 N 2.24 6.78 0.19 3.32 0.01 0.59 -4.94 113.70 121.90 1jke s SER 132 Ca 0.04 0.93 -0.20 0.00 1.31 0.00 0.00 55.95 58.03 1jke s SER 132 Cb -0.23 -2.30 0.04 0.00 0.21 0.00 0.00 66.02 63.75 1jke s SER 132 CO 0.07 0.10 0.58 -1.48 0.41 0.00 0.00 173.24 172.91 1jke s LEU 133 N 0.03 -0.19 -0.29 2.44 2.34 -1.26 -0.08 118.68 121.67 1jke s LEU 133 Ca 0.27 -0.33 0.01 0.00 0.06 0.00 0.00 54.13 54.14 1jke s LEU 133 Cb -0.16 2.39 0.09 0.00 -0.56 0.00 0.00 46.19 47.94 1jke s LEU 133 CO 0.13 -1.07 0.03 -0.69 -1.06 0.00 0.00 176.35 173.69 1jke s VAL 134 N -3.83 1.60 -0.39 1.48 1.01 -0.80 -5.00 120.40 114.47 1jke s VAL 134 Ca 0.06 -1.67 -0.29 0.00 0.00 0.00 0.00 61.98 60.08 1jke s VAL 134 Cb -0.02 -2.07 0.01 0.00 0.00 0.00 0.00 36.38 34.30 1jke s VAL 134 CO -0.05 -0.44 1.25 0.21 0.00 0.00 0.00 175.10 176.07 1jke s ASN 135 N 1.29 6.61 -0.60 3.32 3.84 -1.26 -1.95 114.94 126.18 1jke s ASN 135 Ca 0.05 0.86 -0.26 0.00 0.21 0.00 0.00 52.86 53.72 1jke s ASN 135 Cb -0.18 -2.54 0.04 0.00 -0.55 0.00 0.00 41.25 38.01 1jke s ASN 135 CO -0.12 -1.20 1.07 -0.62 -2.79 0.00 0.00 177.10 173.43 1jke s ASP 136 N 2.84 6.32 0.00 -4.21 2.15 -0.04 -4.35 116.67 119.39 1jke s ASP 136 Ca 0.54 -0.32 0.00 0.00 0.43 0.00 0.00 52.55 53.20 1jke s ASP 136 Cb -0.12 -2.49 0.00 0.00 -0.30 0.00 0.00 42.92 40.01 1jke s ASP 136 CO 0.27 -1.42 0.00 0.61 -0.17 0.00 0.00 175.17 174.46 1jke n GLY 137 N 5.17 1.60 3.88 2.66 0.00 -1.26 -3.58 105.19 113.65 1jke n GLY 137 Ca 0.03 -0.25 -0.30 0.00 0.00 0.00 0.00 46.02 45.50 1jke n GLY 137 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1jke s PRO 138 N 0.00 2.72 -0.09 1.61 0.04 -1.26 -5.17 135.00 132.85 1jke s PRO 138 Ca 0.00 0.44 -0.02 0.00 0.04 0.00 0.00 61.00 61.46 1jke s PRO 138 Cb 0.00 -2.01 0.03 0.00 0.04 0.00 0.00 34.50 32.57 1jke s PRO 138 CO 0.00 -1.13 0.03 0.08 0.04 0.00 0.00 177.00 176.02 1jke s VAL 139 N -3.37 0.22 -0.03 -0.36 1.01 -1.24 -5.07 120.40 111.56 1jke s VAL 139 Ca 0.59 0.10 -0.00 0.00 0.00 0.00 0.00 61.98 62.67 1jke s VAL 139 Cb -0.11 -0.49 0.03 0.00 0.00 0.00 0.00 36.38 35.81 1jke s VAL 139 CO 0.52 0.14 0.01 -0.89 0.00 0.00 0.00 175.10 174.88 1jke s THR 140 N 2.03 0.13 0.01 3.92 2.01 -1.26 -1.61 115.64 120.87 1jke s THR 140 Ca 0.04 0.15 0.04 0.00 0.31 0.00 0.00 61.69 62.24 1jke s THR 140 Cb -0.13 -0.26 -0.02 0.00 0.01 0.00 0.00 72.50 72.11 1jke s THR 140 CO -0.05 0.15 -0.13 -0.36 -0.69 0.00 0.00 174.62 173.54 1jke s PHE 141 N 1.29 1.14 -0.30 4.92 0.40 -0.18 -4.99 117.98 120.25 1jke s PHE 141 Ca -0.06 -0.28 -0.12 0.00 -0.60 0.00 0.00 56.93 55.87 1jke s PHE 141 Cb -0.13 -0.71 -0.04 0.00 0.51 0.00 0.00 43.02 42.65 1jke s PHE 141 CO -0.02 0.00 0.23 -0.46 0.70 0.00 0.00 175.22 175.67 1jke s TRP 142 N -0.56 3.22 -0.03 0.36 -0.11 -1.26 -0.68 118.94 119.88 1jke s TRP 142 Ca 0.03 0.04 0.05 0.00 1.22 0.00 0.00 56.10 57.44 1jke s TRP 142 Cb -0.06 -2.44 -0.02 0.00 -1.50 0.00 0.00 33.47 29.45 1jke s TRP 142 CO 0.00 -0.23 -0.18 -0.51 -4.62 0.00 0.00 176.95 171.41 1jke s LEU 143 N 1.79 2.54 -0.03 5.86 1.43 -0.12 -5.01 118.68 125.15 1jke s LEU 143 Ca 0.08 -0.29 -0.15 0.00 -1.03 0.00 0.00 54.13 52.74 1jke s LEU 143 Cb -0.16 -1.49 0.02 0.00 0.03 0.00 0.00 46.19 44.59 1jke s LEU 143 CO 0.11 0.33 0.32 -1.58 0.23 0.00 0.00 176.35 175.76 1jke s GLN 144 N -0.77 0.64 0.00 1.70 0.74 -1.26 -0.56 119.66 120.16 1jke s GLN 144 Ca 0.11 -0.12 0.00 0.00 0.05 0.00 0.00 55.36 55.40 1jke s GLN 144 Cb -0.10 0.29 0.00 0.00 1.10 0.00 0.00 33.01 34.29 1jke s GLN 144 CO 0.01 -0.17 0.13 1.33 -0.55 0.00 0.00 175.29 176.03