#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 2.38 -0.27 1.12 1.01 0.04 -1.30 121.20 124.18 1jke s ILE 2 Ca 0.00 -0.98 -0.00 0.00 0.00 0.00 0.00 60.65 59.67 1jke s ILE 2 Cb 0.00 -1.86 0.08 0.00 0.01 0.00 0.00 42.46 40.68 1jke s ILE 2 CO 0.00 0.58 0.03 0.00 0.00 0.00 0.00 174.94 175.56 1jke s ALA 3 N -0.59 1.69 -0.45 9.38 0.00 0.98 -0.67 121.76 132.10 1jke s ALA 3 Ca 0.09 -1.46 -0.19 0.00 0.00 0.00 0.00 51.96 50.40 1jke s ALA 3 Cb -0.11 -1.51 0.03 0.00 0.00 0.00 0.00 23.12 21.54 1jke s ALA 3 CO -0.00 -1.42 0.56 -1.17 0.00 0.00 0.00 175.76 173.73 1jke s LEU 4 N 1.53 4.76 -0.04 0.00 1.98 -0.39 -1.01 118.68 125.51 1jke s LEU 4 Ca 0.03 -0.62 0.00 0.00 -2.89 0.00 0.00 54.13 50.65 1jke s LEU 4 Cb -0.18 -2.53 -0.03 0.00 0.66 0.00 0.00 46.19 44.11 1jke s LEU 4 CO -0.14 -0.73 -0.00 0.27 -1.89 0.00 0.00 176.35 173.86 1jke s ILE 5 N 2.50 4.18 -0.07 6.68 -4.36 0.02 -1.38 121.20 128.77 1jke s ILE 5 Ca 0.17 -0.46 0.02 0.00 -0.26 0.00 0.00 60.65 60.12 1jke s ILE 5 Cb -0.17 -2.81 0.01 0.00 1.25 0.00 0.00 42.46 40.75 1jke s ILE 5 CO 0.15 0.48 -0.13 -1.10 0.24 0.00 0.00 174.94 174.59 1jke s GLN 6 N -1.24 1.78 0.01 0.37 -0.21 -0.68 -1.15 119.66 118.54 1jke s GLN 6 Ca 0.17 -0.44 -0.30 0.00 0.02 0.00 0.00 55.36 54.81 1jke s GLN 6 Cb -0.11 -1.47 -0.04 0.00 1.00 0.00 0.00 33.01 32.38 1jke s GLN 6 CO 0.06 0.03 1.16 0.50 -2.12 0.00 0.00 175.29 174.92 1jke s ARG 7 N 0.68 4.43 0.19 2.91 3.52 -0.46 -1.29 118.95 128.94 1jke s ARG 7 Ca -0.14 1.67 0.06 0.00 -0.13 0.00 0.00 55.73 57.19 1jke s ARG 7 Cb -0.16 -3.43 -0.05 0.00 -1.56 0.00 0.00 34.95 29.76 1jke s ARG 7 CO 0.04 -0.28 -0.11 0.14 -0.81 0.00 0.00 175.30 174.28 1jke s VAL 8 N 1.40 1.45 -0.09 7.11 -7.23 -0.12 -0.25 120.40 122.67 1jke s VAL 8 Ca 0.57 -2.13 0.22 0.00 -1.81 0.00 0.00 61.98 58.82 1jke s VAL 8 Cb -0.26 -2.00 -0.24 0.00 0.56 0.00 0.00 36.38 34.43 1jke s VAL 8 CO 0.27 -0.63 0.65 0.35 -0.31 0.00 0.00 175.10 175.43 1jke n THR 9 N -0.32 0.19 -3.57 5.32 -2.24 -0.77 -1.69 114.28 111.21 1jke n THR 9 Ca -0.09 -0.52 -0.09 0.00 -2.27 0.00 0.00 64.05 61.09 1jke n THR 9 Cb 0.61 -0.10 -0.04 0.00 -2.10 0.00 0.00 70.33 68.70 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 -3.47 0.58 -0.19 -0.78 1.70 -1.20 -2.01 118.95 113.59 1jke s ARG 10 Ca -0.06 -0.00 -0.27 0.00 -0.47 0.00 0.00 55.73 54.93 1jke s ARG 10 Cb 0.13 0.27 0.08 0.00 -0.57 0.00 0.00 34.95 34.85 1jke s ARG 10 CO 0.87 -0.21 0.75 0.00 -1.08 0.00 0.00 175.30 175.64 1jke s ALA 11 N -1.74 -1.80 0.04 7.88 0.00 -0.73 -1.88 121.76 123.52 1jke s ALA 11 Ca 0.02 1.73 -0.13 0.00 0.00 0.00 0.00 51.96 53.59 1jke s ALA 11 Cb -0.01 -0.75 0.02 0.00 0.00 0.00 0.00 23.12 22.38 1jke s ALA 11 CO -0.02 -0.34 0.28 -1.54 0.00 0.00 0.00 175.76 174.14 1jke s SER 12 N -0.29 -0.10 -0.08 0.00 1.04 0.10 -0.42 113.70 113.96 1jke s SER 12 Ca -0.04 -0.20 0.03 0.00 0.48 0.00 0.00 55.95 56.22 1jke s SER 12 Cb -0.03 0.33 0.01 0.00 0.10 0.00 0.00 66.02 66.44 1jke s SER 12 CO 0.04 -0.58 -0.16 0.54 0.98 0.00 0.00 173.24 174.06 1jke s VAL 13 N -2.39 1.44 -0.06 5.02 0.11 0.39 -0.23 120.40 124.68 1jke s VAL 13 Ca -0.06 -0.65 0.03 0.00 -2.93 0.00 0.00 61.98 58.37 1jke s VAL 13 Cb -0.02 -1.28 -0.02 0.00 -1.53 0.00 0.00 36.38 33.53 1jke s VAL 13 CO -0.02 0.42 -0.15 0.42 -3.33 0.00 0.00 175.10 172.44 1jke s THR 14 N 0.60 2.96 -0.22 5.04 -4.23 -0.42 -1.01 115.64 118.36 1jke s THR 14 Ca -0.15 -0.75 0.01 0.00 -1.18 0.00 0.00 61.69 59.61 1jke s THR 14 Cb -0.16 -2.16 0.05 0.00 1.34 0.00 0.00 72.50 71.57 1jke s THR 14 CO 0.05 0.58 -0.07 -0.69 -0.54 0.00 0.00 174.62 173.95 1jke s VAL 15 N -0.56 1.57 -1.22 2.29 1.01 -0.13 -1.85 120.40 121.51 1jke s VAL 15 Ca 0.08 -1.13 -0.02 0.00 0.00 0.00 0.00 61.98 60.91 1jke s VAL 15 Cb -0.11 -1.76 0.00 0.00 0.00 0.00 0.00 36.38 34.51 1jke s VAL 15 CO 0.01 0.01 0.24 -0.62 0.00 0.00 0.00 175.10 174.74 1jke n GLU 16 N 4.68 -2.51 0.00 2.72 -0.58 -1.26 -2.82 120.64 120.87 1jke n GLU 16 Ca -0.13 0.70 0.00 0.00 -0.42 0.00 0.00 57.16 57.31 1jke n GLU 16 Cb 0.45 -5.05 0.00 0.00 -0.57 0.00 0.00 31.44 26.27 1jke n GLU 16 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1jke n GLY 17 N -1.18 3.15 3.87 0.62 0.00 -1.26 -5.03 105.19 105.36 1jke n GLY 17 Ca -0.13 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.52 1jke n GLY 17 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1jke s GLU 18 N -0.51 3.56 -0.11 1.61 0.41 -1.13 -5.00 118.70 117.53 1jke s GLU 18 Ca 0.00 -0.01 -0.29 0.00 -0.41 0.00 0.00 54.97 54.25 1jke s GLU 18 Cb 0.00 -3.18 -0.03 0.00 -1.78 0.00 0.00 34.13 29.14 1jke s GLU 18 CO 0.00 0.74 1.38 0.08 -0.49 0.00 0.00 175.26 176.98 1jke s VAL 19 N -1.08 4.02 -0.65 2.63 1.01 -1.26 -0.96 120.40 124.11 1jke s VAL 19 Ca 0.19 1.26 0.14 0.00 0.00 0.00 0.00 61.98 63.58 1jke s VAL 19 Cb -0.13 -3.81 -0.16 0.00 0.00 0.00 0.00 36.38 32.27 1jke s VAL 19 CO 0.08 -0.09 0.60 0.35 0.00 0.00 0.00 175.10 176.04 1jke n THR 20 N 5.29 0.00 -3.64 3.92 -2.24 -0.18 -4.95 114.28 112.48 1jke n THR 20 Ca 0.15 -0.17 -0.09 0.00 -2.27 0.00 0.00 64.05 61.66 1jke n THR 20 Cb 0.44 0.96 -0.07 0.00 -2.10 0.00 0.00 70.33 69.56 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 -2.44 -0.44 -0.23 3.38 0.00 -1.18 -4.57 107.32 101.83 1jke s GLY 21 Ca 0.05 2.41 -0.17 0.00 0.00 0.00 0.00 44.72 47.01 1jke s GLY 21 CO 0.60 2.09 0.59 1.85 0.00 0.00 0.00 173.10 178.24 1jke s GLU 22 N 0.91 0.65 0.18 2.90 2.12 -1.26 -0.46 118.70 123.73 1jke s GLU 22 Ca -0.04 0.95 0.01 0.00 0.36 0.00 0.00 54.97 56.25 1jke s GLU 22 Cb -0.05 0.21 -0.05 0.00 0.26 0.00 0.00 34.13 34.51 1jke s GLU 22 CO -0.09 -0.12 0.02 0.96 -0.54 0.00 0.00 175.26 175.49 1jke s ILE 23 N 0.92 0.56 0.00 -3.70 -4.36 0.44 -4.94 121.20 110.13 1jke s ILE 23 Ca -0.05 -1.97 0.00 0.00 -0.26 0.00 0.00 60.65 58.37 1jke s ILE 23 Cb -0.05 -2.18 0.00 0.00 1.25 0.00 0.00 42.46 41.48 1jke s ILE 23 CO -0.08 -0.41 0.00 0.61 0.24 0.00 0.00 174.94 175.30 1jke n GLY 24 N -0.25 0.73 3.76 6.27 0.00 -1.26 -1.77 105.19 112.66 1jke n GLY 24 Ca -0.05 -0.20 -0.38 0.00 0.00 0.00 0.00 46.02 45.39 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 -3.21 2.82 0.00 4.61 0.00 -0.85 -3.24 121.76 121.88 1jke s ALA 25 Ca 0.00 1.17 0.00 0.00 0.00 0.00 0.00 51.96 53.13 1jke s ALA 25 Cb 0.00 -3.50 0.00 0.00 0.00 0.00 0.00 23.12 19.62 1jke s ALA 25 CO 0.00 -1.14 0.00 0.41 0.00 0.00 0.00 175.76 175.03 1jke n GLY 26 N 0.62 -0.06 3.07 0.00 0.00 -0.68 -1.07 105.19 107.07 1jke n GLY 26 Ca 0.10 -0.71 -0.21 0.00 0.00 0.00 0.00 46.02 45.20 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 2.00 -0.27 0.99 1.43 -0.21 -0.95 118.68 121.68 1jke s LEU 27 Ca 0.00 -0.22 -0.11 0.00 -1.03 0.00 0.00 54.13 52.77 1jke s LEU 27 Cb 0.00 -0.64 -0.05 0.00 0.03 0.00 0.00 46.19 45.54 1jke s LEU 27 CO 0.00 0.14 0.18 -0.22 0.23 0.00 0.00 176.35 176.68 1jke s LEU 28 N -0.24 4.03 -0.31 1.79 2.96 -0.41 -1.09 118.68 125.41 1jke s LEU 28 Ca 0.04 0.01 -0.05 0.00 -0.22 0.00 0.00 54.13 53.91 1jke s LEU 28 Cb -0.05 -2.11 0.03 0.00 0.50 0.00 0.00 46.19 44.56 1jke s LEU 28 CO -0.00 -0.02 0.05 -0.69 -1.32 0.00 0.00 176.35 174.37 1jke s VAL 29 N 1.59 3.55 -0.29 1.68 1.01 0.11 -1.69 120.40 126.36 1jke s VAL 29 Ca 0.07 -1.05 -0.19 0.00 0.00 0.00 0.00 61.98 60.81 1jke s VAL 29 Cb -0.15 -2.94 -0.02 0.00 0.00 0.00 0.00 36.38 33.27 1jke s VAL 29 CO 0.09 -0.04 0.55 -0.76 0.00 0.00 0.00 175.10 174.94 1jke s LEU 30 N 1.39 4.13 -0.20 3.92 1.43 -0.48 -0.90 118.68 127.97 1jke s LEU 30 Ca -0.01 0.40 -0.06 0.00 -1.03 0.00 0.00 54.13 53.43 1jke s LEU 30 Cb -0.19 -2.70 -0.03 0.00 0.03 0.00 0.00 46.19 43.30 1jke s LEU 30 CO 0.01 -0.39 0.02 -0.22 0.23 0.00 0.00 176.35 176.01 1jke s LEU 31 N 2.43 3.44 -0.26 1.79 2.96 -0.03 -1.26 118.68 127.75 1jke s LEU 31 Ca 0.22 -0.12 -0.02 0.00 -0.22 0.00 0.00 54.13 53.99 1jke s LEU 31 Cb -0.15 -1.87 0.02 0.00 0.50 0.00 0.00 46.19 44.69 1jke s LEU 31 CO 0.11 0.09 -0.04 -0.83 -1.32 0.00 0.00 176.35 174.36 1jke s GLY 32 N 0.85 1.65 -0.10 7.98 0.00 0.15 -0.21 107.32 117.64 1jke s GLY 32 Ca 0.02 -1.46 -0.21 0.00 0.00 0.00 0.00 44.72 43.06 1jke s GLY 32 CO 0.02 0.54 0.61 0.14 0.00 0.00 0.00 173.10 174.41 1jke s VAL 33 N 1.35 5.10 0.21 1.40 1.01 -1.26 -0.78 120.40 127.42 1jke s VAL 33 Ca 0.00 1.24 0.05 0.00 0.00 0.00 0.00 61.98 63.27 1jke s VAL 33 Cb -0.17 -3.95 -0.03 0.00 0.00 0.00 0.00 36.38 32.23 1jke s VAL 33 CO -0.03 0.26 0.29 -1.61 0.00 0.00 0.00 175.10 174.01 1jke s GLU 34 N 0.85 3.31 0.27 2.72 2.02 -1.26 -1.74 118.70 124.87 1jke s GLU 34 Ca 0.32 -0.77 -0.03 0.00 0.02 0.00 0.00 54.97 54.52 1jke s GLU 34 Cb -0.17 -2.84 0.56 0.00 0.10 0.00 0.00 34.13 31.79 1jke s GLU 34 CO 0.14 0.46 1.62 -0.22 0.02 0.00 0.00 175.26 177.28 1jke h LYS 35 N 1.63 0.10 -0.64 1.61 1.63 -1.44 -1.93 116.57 117.52 1jke h LYS 35 Ca -0.50 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.29 1jke h LYS 35 Cb 1.22 -0.02 0.00 0.00 -0.60 0.00 0.00 32.23 32.83 1jke h LYS 35 CO 0.63 0.06 0.00 -0.25 -3.45 0.00 0.00 179.45 176.45 1jke n ASP 36 N -5.37 5.09 -4.79 4.20 8.00 -1.26 -4.86 116.55 117.57 1jke n ASP 36 Ca 0.17 -2.78 -0.31 0.00 0.71 0.00 0.00 54.79 52.58 1jke n ASP 36 Cb 0.58 -0.66 0.07 0.00 -0.02 0.00 0.00 41.12 41.09 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 -0.69 4.98 0.33 -2.24 1.01 -0.73 -5.03 116.67 114.30 1jke s ASP 37 Ca 0.48 1.75 -0.07 0.00 0.71 0.00 0.00 52.55 55.41 1jke s ASP 37 Cb 0.36 -2.51 0.01 0.00 1.01 0.00 0.00 42.92 41.79 1jke s ASP 37 CO 0.15 -1.71 0.53 1.51 0.21 0.00 0.00 175.17 175.85 1jke s ASP 38 N -3.48 0.52 0.40 0.27 1.47 -1.26 -5.03 116.67 109.55 1jke s ASP 38 Ca 0.60 -1.30 0.07 0.00 1.18 0.00 0.00 52.55 53.10 1jke s ASP 38 Cb -0.16 0.68 0.82 0.00 -0.34 0.00 0.00 42.92 43.92 1jke s ASP 38 CO 0.54 -1.33 2.02 -0.33 0.68 0.00 0.00 175.17 176.75 1jke h GLU 39 N 2.12 0.52 -0.25 2.11 5.08 -1.97 -1.49 114.58 120.71 1jke h GLU 39 Ca -0.29 -0.05 0.01 0.00 -1.00 0.00 0.00 59.36 58.04 1jke h GLU 39 Cb 1.24 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 30.37 1jke h GLU 39 CO 0.38 0.39 0.14 0.37 -1.00 0.00 0.00 179.01 179.29 1jke h GLN 40 N 0.53 0.28 -0.29 2.33 -0.00 -1.99 0.15 115.11 116.12 1jke h GLN 40 Ca 0.14 -0.02 -0.05 0.00 -0.00 0.00 0.00 58.65 58.73 1jke h GLN 40 Cb 0.02 -0.06 -0.01 0.00 0.00 0.00 0.00 27.48 27.42 1jke h GLN 40 CO -0.02 0.18 0.00 0.87 0.00 0.00 0.00 178.83 179.86 1jke h LYS 41 N 0.29 0.51 -0.88 1.69 1.57 -1.85 -2.09 116.57 115.80 1jke h LYS 41 Ca 0.10 -0.16 0.09 0.00 -1.87 0.00 0.00 60.65 58.81 1jke h LYS 41 Cb 0.00 -0.05 -0.07 0.00 0.08 0.00 0.00 32.23 32.20 1jke h LYS 41 CO -0.05 0.66 0.53 0.00 -0.57 0.00 0.00 179.45 180.01 1jke h ALA 42 N 0.83 1.25 -0.12 3.86 0.00 -0.98 -0.08 119.26 124.01 1jke h ALA 42 Ca 0.08 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 1jke h ALA 42 Cb 0.43 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1jke h ALA 42 CO 0.01 0.19 0.07 -0.91 0.00 0.00 0.00 179.25 178.62 1jke h ASN 43 N 0.90 0.16 -0.69 0.00 2.35 -0.45 -0.55 115.58 117.30 1jke h ASN 43 Ca 0.41 -0.08 -0.07 0.00 -0.55 0.00 0.00 56.30 56.02 1jke h ASN 43 Cb 0.32 -0.04 -0.03 0.00 0.05 0.00 0.00 38.32 38.62 1jke h ASN 43 CO -0.23 0.19 0.18 -0.09 -1.65 0.00 0.00 177.43 175.83 1jke h ARG 44 N 0.11 1.11 -0.35 0.81 9.65 -0.73 -0.89 114.38 124.09 1jke h ARG 44 Ca 0.04 -0.26 -0.03 0.00 -1.10 0.00 0.00 59.98 58.64 1jke h ARG 44 Cb 0.07 -0.15 -0.01 0.00 -1.39 0.00 0.00 29.97 28.48 1jke h ARG 44 CO -0.01 0.97 0.11 1.25 2.80 0.00 0.00 179.97 185.09 1jke h LEU 45 N 1.06 0.51 -0.51 3.80 5.85 -0.86 -1.02 115.31 124.14 1jke h LEU 45 Ca 0.22 -0.20 0.04 0.00 0.84 0.00 0.00 57.88 58.78 1jke h LEU 45 Cb 0.36 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 41.21 1jke h LEU 45 CO 0.00 0.58 0.26 0.00 -0.34 0.00 0.00 178.44 178.94 1jke h GLU 47 N 0.51 0.17 -0.47 0.00 4.39 -0.81 -1.15 114.58 117.21 1jke h GLU 47 Ca 0.22 -0.01 -0.05 0.00 0.34 0.00 0.00 59.36 59.87 1jke h GLU 47 Cb 0.12 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 28.72 1jke h GLU 47 CO -0.15 0.11 0.12 0.00 -1.16 0.00 0.00 179.01 177.93 1jke h ARG 48 N 0.17 0.76 -0.10 2.33 3.08 -0.64 -1.81 114.38 118.18 1jke h ARG 48 Ca 0.13 -0.18 -0.00 0.00 0.07 0.00 0.00 59.98 60.00 1jke h ARG 48 Cb 0.13 -0.10 -0.00 0.00 0.08 0.00 0.00 29.97 30.08 1jke h ARG 48 CO -0.17 0.74 0.06 0.28 -1.07 0.00 0.00 179.97 179.81 1jke h VAL 49 N 0.64 1.06 0.00 2.04 2.07 -0.72 -1.01 116.25 120.33 1jke h VAL 49 Ca 0.15 -0.15 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1jke h VAL 49 Cb 0.32 0.98 0.00 0.00 -1.52 0.00 0.00 31.29 31.07 1jke h VAL 49 CO 0.00 0.05 0.00 -0.07 0.02 0.00 0.00 177.57 177.57 1jke h LEU 50 N 0.10 0.00 -1.27 2.57 3.38 -1.17 -3.08 115.31 115.84 1jke h LEU 50 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1jke h LEU 50 Cb 0.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.78 1jke h LEU 50 CO -0.01 0.00 -0.27 0.61 0.09 0.00 0.00 178.44 178.86 1jke n GLY 51 N 0.17 0.26 3.66 0.83 0.00 -0.69 -3.87 105.19 105.56 1jke n GLY 51 Ca 0.01 -0.59 -0.42 0.00 0.00 0.00 0.00 46.02 45.02 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 -2.08 1.59 -1.30 1.61 5.04 -0.41 -4.69 117.35 117.13 1jke s TYR 52 Ca 0.19 -0.11 -0.17 0.00 -2.44 0.00 0.00 57.07 54.55 1jke s TYR 52 Cb 0.17 -4.09 0.09 0.00 0.35 0.00 0.00 41.96 38.48 1jke s TYR 52 CO 0.42 -4.69 1.72 0.54 -1.34 0.00 0.00 175.55 172.20 1jke n ARG 53 N 7.43 3.21 -0.11 4.97 1.74 -1.26 -4.14 116.66 128.51 1jke n ARG 53 Ca 0.19 -3.33 0.04 0.00 -0.77 0.00 0.00 57.85 53.98 1jke n ARG 53 Cb 0.42 -3.40 0.06 0.00 -1.02 0.00 0.00 32.46 28.51 1jke n ARG 53 CO 0.00 0.00 0.00 0.44 -1.52 0.00 0.00 177.63 176.55 1jke n ILE 54 N 5.98 1.07 -4.52 0.55 -5.35 -0.82 -4.35 119.36 111.92 1jke n ILE 54 Ca 0.47 -1.22 -0.34 0.00 -0.27 0.00 0.00 62.75 61.38 1jke n ILE 54 Cb 0.45 0.27 -0.10 0.00 -1.74 0.00 0.00 39.64 38.51 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 -1.47 3.03 0.36 4.28 0.40 0.19 -4.92 117.98 119.85 1jke s PHE 55 Ca 0.13 0.09 -0.28 0.00 -0.60 0.00 0.00 56.93 56.27 1jke s PHE 55 Cb 0.11 -1.74 -0.11 0.00 0.51 0.00 0.00 43.02 41.79 1jke s PHE 55 CO 0.01 0.39 1.43 -1.12 0.70 0.00 0.00 175.22 176.63 1jke s SER 56 N -0.83 6.48 0.96 1.36 0.01 -1.26 -1.95 113.70 118.46 1jke s SER 56 Ca 0.13 2.93 -0.02 0.00 1.31 0.00 0.00 55.95 60.30 1jke s SER 56 Cb -0.11 -2.66 0.02 0.00 0.21 0.00 0.00 66.02 63.48 1jke s SER 56 CO 0.02 -0.77 0.15 -0.90 0.41 0.00 0.00 173.24 172.15 1jke n ASP 57 N 0.63 0.02 -0.00 2.44 5.68 0.73 -4.80 116.55 121.25 1jke n ASP 57 Ca 0.01 -1.06 0.00 0.00 -0.50 0.00 0.00 54.79 53.24 1jke n ASP 57 Cb 0.40 -0.11 0.00 0.00 -1.14 0.00 0.00 41.12 40.27 1jke n ASP 57 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1jke n ALA 58 N -3.09 2.26 -0.57 2.12 0.00 -1.26 -2.75 120.51 117.22 1jke n ALA 58 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1jke n ALA 58 Cb 0.07 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.52 1jke n ALA 58 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1jke n GLU 59 N -0.50 0.02 0.00 0.00 1.02 -1.26 -5.04 120.64 114.88 1jke n GLU 59 Ca 0.00 -0.15 0.00 0.00 -0.02 0.00 0.00 57.16 56.99 1jke n GLU 59 Cb 0.00 -0.60 0.00 0.00 -0.02 0.00 0.00 31.44 30.82 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 0.05 0.73 3.82 0.62 0.00 -1.11 -5.10 105.19 104.20 1jke n GLY 60 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 1jke n GLY 60 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1jke s LYS 61 N -0.84 3.27 -0.89 1.61 -2.85 -1.26 -4.72 119.74 114.06 1jke s LYS 61 Ca 0.00 -0.28 -0.25 0.00 -1.00 0.00 0.00 55.97 54.44 1jke s LYS 61 Cb 0.00 -3.03 0.00 0.00 -2.06 0.00 0.00 37.83 32.74 1jke s LYS 61 CO 0.00 0.72 1.65 -1.64 0.10 0.00 0.00 175.35 176.19 1jke s MET 62 N -1.27 3.05 0.00 1.78 -1.94 -1.26 -0.19 119.30 119.46 1jke s MET 62 Ca 0.18 -0.48 0.00 0.00 -1.71 0.00 0.00 55.69 53.68 1jke s MET 62 Cb -0.12 -4.97 0.00 0.00 2.01 0.00 0.00 34.83 31.76 1jke s MET 62 CO 0.08 -2.68 0.12 0.09 -0.01 0.00 0.00 175.02 172.62 1jke n ASN 63 N 11.23 0.24 -4.55 3.03 3.02 -1.07 -4.73 115.26 122.43 1jke n ASN 63 Ca 0.30 -0.92 -0.31 0.00 -0.03 0.00 0.00 54.58 53.62 1jke n ASN 63 Cb 0.49 0.02 -0.11 0.00 -0.61 0.00 0.00 39.78 39.58 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 -0.05 2.97 0.66 3.41 1.43 -0.82 -4.90 118.68 121.37 1jke s LEU 64 Ca 0.00 -0.30 -0.01 0.00 -1.03 0.00 0.00 54.13 52.79 1jke s LEU 64 Cb 0.00 -1.74 0.09 0.00 0.03 0.00 0.00 46.19 44.57 1jke s LEU 64 CO 0.00 0.24 0.92 0.54 0.23 0.00 0.00 176.35 178.28 1jke s ASN 65 N -1.67 4.73 0.44 2.29 2.20 -1.26 -0.64 114.94 121.03 1jke s ASN 65 Ca 0.18 -0.15 0.10 0.00 -0.94 0.00 0.00 52.86 52.04 1jke s ASN 65 Cb -0.11 -0.44 0.97 0.00 -2.00 0.00 0.00 41.25 39.67 1jke s ASN 65 CO 0.09 -1.58 2.07 1.62 -2.94 0.00 0.00 177.10 176.36 1jke h VAL 66 N -0.32 1.05 -0.21 3.54 3.04 -1.72 -1.85 116.25 119.79 1jke h VAL 66 Ca -0.39 -0.14 -0.06 0.00 -1.01 0.00 0.00 66.70 65.09 1jke h VAL 66 Cb 1.28 0.60 -0.01 0.00 -2.01 0.00 0.00 31.29 31.15 1jke h VAL 66 CO 0.47 0.08 -0.12 1.56 -1.01 0.00 0.00 177.57 178.54 1jke h GLN 67 N 0.42 0.45 -0.42 4.17 4.20 -1.84 -0.12 115.11 121.97 1jke h GLN 67 Ca 0.14 -0.20 -0.07 0.00 0.06 0.00 0.00 58.65 58.58 1jke h GLN 67 Cb 0.04 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 27.79 1jke h GLN 67 CO -0.03 0.74 -0.01 1.96 -0.67 0.00 0.00 178.83 180.82 1jke h GLN 68 N 0.15 0.69 0.00 1.46 4.20 -1.84 -1.53 115.11 118.24 1jke h GLN 68 Ca 0.05 -0.18 0.00 0.00 0.06 0.00 0.00 58.65 58.58 1jke h GLN 68 Cb 0.62 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 28.31 1jke h GLN 68 CO 0.03 0.71 0.00 0.00 -0.67 0.00 0.00 178.83 178.91 1jke n ALA 69 N -2.48 1.86 -1.12 3.87 0.00 -0.72 -4.86 120.51 117.07 1jke n ALA 69 Ca 0.02 -0.06 -0.04 0.00 0.00 0.00 0.00 53.44 53.35 1jke n ALA 69 Cb 0.29 -1.30 -0.02 0.00 0.00 0.00 0.00 19.45 18.42 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 0.43 0.70 3.90 0.00 0.00 -0.58 -5.02 105.19 104.62 1jke n GLY 70 Ca 0.05 -0.79 -0.29 0.00 0.00 0.00 0.00 46.02 44.99 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 -2.87 1.60 0.51 -0.02 0.00 -0.10 -4.99 107.32 101.45 1jke s GLY 71 Ca 0.00 -0.59 0.06 0.00 0.00 0.00 0.00 44.72 44.20 1jke s GLY 71 CO 0.00 -0.13 0.42 -0.56 0.00 0.00 0.00 173.10 172.83 1jke s SER 72 N -4.52 4.75 -0.05 1.64 0.01 -0.23 -4.66 113.70 110.63 1jke s SER 72 Ca 0.61 -1.10 0.00 0.00 1.31 0.00 0.00 55.95 56.78 1jke s SER 72 Cb -0.11 0.14 0.02 0.00 0.21 0.00 0.00 66.02 66.29 1jke s SER 72 CO 0.49 -1.00 -0.03 -0.69 0.41 0.00 0.00 173.24 172.42 1jke s VAL 73 N -2.69 0.51 -0.26 3.43 1.01 -0.69 -1.04 120.40 120.67 1jke s VAL 73 Ca 0.40 -0.07 -0.05 0.00 0.00 0.00 0.00 61.98 62.26 1jke s VAL 73 Cb -0.02 -0.56 0.01 0.00 0.00 0.00 0.00 36.38 35.80 1jke s VAL 73 CO 0.24 0.23 0.01 -0.22 0.00 0.00 0.00 175.10 175.36 1jke s LEU 74 N 1.16 3.36 -0.17 3.92 2.96 -0.25 -0.78 118.68 128.88 1jke s LEU 74 Ca -0.07 -0.63 -0.06 0.00 -0.22 0.00 0.00 54.13 53.15 1jke s LEU 74 Cb -0.14 -1.78 -0.04 0.00 0.50 0.00 0.00 46.19 44.73 1jke s LEU 74 CO -0.01 -0.11 0.03 -0.69 -1.32 0.00 0.00 176.35 174.24 1jke s VAL 75 N 1.45 4.50 -0.04 1.68 1.01 0.23 0.10 120.40 129.33 1jke s VAL 75 Ca 0.03 -0.14 0.01 0.00 0.00 0.00 0.00 61.98 61.89 1jke s VAL 75 Cb -0.16 -3.01 0.02 0.00 0.00 0.00 0.00 36.38 33.23 1jke s VAL 75 CO -0.01 0.47 -0.06 -0.69 0.00 0.00 0.00 175.10 174.81 1jke s VAL 76 N 0.37 0.62 0.18 2.92 1.01 -0.08 -3.09 120.40 122.33 1jke s VAL 76 Ca 0.01 -0.18 -0.30 0.00 0.00 0.00 0.00 61.98 61.50 1jke s VAL 76 Cb -0.13 -0.62 -0.09 0.00 0.00 0.00 0.00 36.38 35.54 1jke s VAL 76 CO 0.01 0.24 1.38 -0.94 0.00 0.00 0.00 175.10 175.79 1jke s SER 77 N 0.79 6.80 -0.34 3.32 1.04 -1.26 -0.85 113.70 123.20 1jke s SER 77 Ca -0.11 2.45 -0.01 0.00 0.48 0.00 0.00 55.95 58.76 1jke s SER 77 Cb -0.14 -2.60 0.12 0.00 0.10 0.00 0.00 66.02 63.49 1jke s SER 77 CO 0.01 -0.63 0.16 -1.58 0.98 0.00 0.00 173.24 172.18 1jke s GLN 78 N 0.28 0.64 0.57 4.02 2.00 0.71 -4.80 119.66 123.08 1jke s GLN 78 Ca 0.61 -1.17 0.35 0.00 -2.00 0.00 0.00 55.36 53.15 1jke s GLN 78 Cb -0.38 -1.65 1.65 0.00 0.80 0.00 0.00 33.01 33.42 1jke s GLN 78 CO 0.36 -1.09 2.10 0.27 -0.50 0.00 0.00 175.29 176.43 1jke h PHE 79 N 7.64 0.00 0.00 1.67 -5.15 -1.95 -2.95 116.94 116.21 1jke h PHE 79 Ca -0.08 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.69 1jke h PHE 79 Cb 0.99 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.16 1jke h PHE 79 CO 0.39 0.03 0.00 1.79 -2.00 0.00 0.00 178.31 178.52 1jke h THR 80 N 0.00 0.00 -0.01 0.88 1.35 -1.94 -3.06 112.91 110.13 1jke h THR 80 Ca -0.00 -0.37 -0.11 0.00 -0.55 0.00 0.00 66.41 65.39 1jke h THR 80 Cb 0.36 1.23 -0.01 0.00 -1.73 0.00 0.00 68.15 67.99 1jke h THR 80 CO 0.00 0.00 -0.50 -0.07 -0.25 0.00 0.00 175.52 174.71 1jke h LEU 81 N 0.00 0.03 -0.62 3.87 3.38 -1.90 -2.77 115.31 117.30 1jke h LEU 81 Ca 0.00 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1jke h LEU 81 Cb 0.44 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.18 1jke h LEU 81 CO 0.00 0.52 0.00 0.00 0.09 0.00 0.00 178.44 179.05 1jke n ALA 82 N -2.45 2.58 -1.48 1.53 0.00 -1.15 -4.92 120.51 114.62 1jke n ALA 82 Ca -0.02 -0.35 -0.33 0.00 0.00 0.00 0.00 53.44 52.74 1jke n ALA 82 Cb 0.51 -1.23 0.06 0.00 0.00 0.00 0.00 19.45 18.79 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 -1.93 2.39 -0.40 0.00 0.00 -1.05 -4.41 121.76 116.37 1jke s ALA 83 Ca 0.35 0.63 -0.19 0.00 0.00 0.00 0.00 51.96 52.76 1jke s ALA 83 Cb 0.18 -3.35 0.01 0.00 0.00 0.00 0.00 23.12 19.96 1jke s ALA 83 CO 0.29 -1.40 0.54 0.34 0.00 0.00 0.00 175.76 175.53 1jke s ASP 84 N -2.43 6.28 -0.11 0.00 -1.08 0.05 -4.89 116.67 114.49 1jke s ASP 84 Ca 0.69 -0.33 0.14 0.00 -0.52 0.00 0.00 52.55 52.54 1jke s ASP 84 Cb -0.23 -2.27 0.32 0.00 -1.46 0.00 0.00 42.92 39.28 1jke s ASP 84 CO 0.42 -0.62 1.23 0.35 0.52 0.00 0.00 175.17 177.06 1jke n THR 85 N 5.59 1.78 -0.10 1.71 -2.24 -1.26 -2.19 114.28 117.57 1jke n THR 85 Ca -0.04 -1.81 -0.05 0.00 -2.27 0.00 0.00 64.05 59.87 1jke n THR 85 Cb 0.48 -0.05 0.02 0.00 -2.10 0.00 0.00 70.33 68.68 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 0.80 0.10 -3.93 -0.78 5.08 -1.95 -3.45 114.58 110.46 1jke h GLU 86 Ca 0.00 -0.01 -0.17 0.00 -1.00 0.00 0.00 59.36 58.18 1jke h GLU 86 Cb 1.04 -0.02 -0.22 0.00 0.50 0.00 0.00 28.75 30.05 1jke h GLU 86 CO 0.07 0.07 -0.69 1.03 -1.00 0.00 0.00 179.01 178.49 1jke s ARG 87 N -6.18 0.29 0.00 2.33 0.52 -1.26 -5.12 118.95 109.53 1jke s ARG 87 Ca -0.13 -0.54 0.00 0.00 -0.52 0.00 0.00 55.73 54.54 1jke s ARG 87 Cb 0.13 0.10 0.00 0.00 0.52 0.00 0.00 34.95 35.70 1jke s ARG 87 CO 0.71 -0.05 0.00 0.41 0.02 0.00 0.00 175.30 176.39 1jke n GLY 88 N 1.73 -0.89 0.56 -3.53 0.00 -1.26 -4.63 105.19 97.17 1jke n GLY 88 Ca -0.23 -1.66 0.09 0.00 0.00 0.00 0.00 46.02 44.22 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 -1.02 1.72 -4.25 1.61 2.81 -1.26 -4.83 117.12 111.91 1jke n MET 89 Ca 0.00 -1.10 -0.24 0.00 -1.81 0.00 0.00 57.70 54.55 1jke n MET 89 Cb 0.00 -1.35 -0.17 0.00 -0.71 0.00 0.00 33.22 30.99 1jke n MET 89 CO 0.00 0.00 0.00 0.50 1.51 0.00 0.00 175.97 177.98 1jke s ARG 90 N -1.72 1.36 0.60 0.03 3.52 -1.26 -5.13 118.95 116.34 1jke s ARG 90 Ca 0.29 -0.26 -0.16 0.00 -0.13 0.00 0.00 55.73 55.47 1jke s ARG 90 Cb 0.16 -1.28 -0.03 0.00 -1.56 0.00 0.00 34.95 32.24 1jke s ARG 90 CO 0.23 -0.10 1.09 -1.25 -0.81 0.00 0.00 175.30 174.46 1jke s PRO 91 N 1.09 3.17 -0.07 5.12 0.04 -1.26 -4.95 135.00 138.14 1jke s PRO 91 Ca -0.07 1.35 0.05 0.00 0.04 0.00 0.00 61.00 62.37 1jke s PRO 91 Cb -0.14 -2.00 -0.00 0.00 0.04 0.00 0.00 34.50 32.39 1jke s PRO 91 CO -0.01 -0.95 -0.22 -1.54 0.04 0.00 0.00 177.00 174.32 1jke s SER 92 N -2.48 2.80 -0.39 6.66 1.04 -0.93 -4.96 113.70 115.44 1jke s SER 92 Ca 0.67 -0.48 -0.02 0.00 0.48 0.00 0.00 55.95 56.60 1jke s SER 92 Cb -0.19 -0.96 0.10 0.00 0.10 0.00 0.00 66.02 65.07 1jke s SER 92 CO 0.36 0.19 0.17 -0.36 0.98 0.00 0.00 173.24 174.57 1jke s PHE 93 N 0.09 3.58 0.00 5.02 0.40 -1.26 -0.77 117.98 125.03 1jke s PHE 93 Ca -0.09 -2.43 0.00 0.00 -0.60 0.00 0.00 56.93 53.81 1jke s PHE 93 Cb -0.15 -3.09 0.00 0.00 0.51 0.00 0.00 43.02 40.30 1jke s PHE 93 CO 0.05 -0.95 0.00 0.45 0.70 0.00 0.00 175.22 175.47 1jke n SER 94 N 4.56 0.64 -0.20 1.36 2.88 -1.26 -4.75 113.62 116.84 1jke n SER 94 Ca -0.03 0.00 0.15 0.00 -1.33 0.00 0.00 58.87 57.66 1jke n SER 94 Cb 0.42 0.12 0.67 0.00 -0.75 0.00 0.00 64.21 64.67 1jke n SER 94 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1jke n LYS 95 N -0.23 1.08 -1.46 -1.46 4.01 -1.26 -4.89 118.16 113.94 1jke n LYS 95 Ca 0.00 -0.40 -0.30 0.00 -0.51 0.00 0.00 58.31 57.10 1jke n LYS 95 Cb 0.01 -1.49 0.11 0.00 -0.51 0.00 0.00 35.03 33.14 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 -2.20 1.62 0.73 0.72 0.00 -1.26 -2.04 107.32 104.89 1jke s GLY 96 Ca 0.37 -0.18 -0.11 0.00 0.00 0.00 0.00 44.72 44.79 1jke s GLY 96 CO 0.40 0.27 1.09 0.00 0.00 0.00 0.00 173.10 174.86 1jke s ALA 97 N -3.10 2.66 1.23 3.20 0.00 -0.71 -3.48 121.76 121.55 1jke s ALA 97 Ca 0.62 -0.24 -0.16 0.00 0.00 0.00 0.00 51.96 52.17 1jke s ALA 97 Cb -0.15 -3.07 0.25 0.00 0.00 0.00 0.00 23.12 20.14 1jke s ALA 97 CO 0.55 -1.33 0.81 -1.13 0.00 0.00 0.00 175.76 174.66 1jke n SER 98 N -3.15 -2.21 0.10 0.00 3.41 -1.26 -4.86 113.62 105.65 1jke n SER 98 Ca 0.07 -0.95 -0.04 0.00 -0.26 0.00 0.00 58.87 57.69 1jke n SER 98 Cb 0.56 -0.77 -0.02 0.00 -0.26 0.00 0.00 64.21 63.72 1jke n SER 98 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 175.04 176.43 1jke h PRO 99 N 0.00 -0.26 0.09 4.33 0.13 -2.00 -3.22 132.00 131.07 1jke h PRO 99 Ca -0.31 0.02 -0.00 0.00 -0.87 0.00 0.00 66.00 64.83 1jke h PRO 99 Cb 0.98 0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.17 1jke h PRO 99 CO 0.20 -0.17 -0.04 -0.44 -0.23 0.00 0.00 178.00 177.31 1jke h ASP 100 N -0.32 -0.10 -1.15 1.44 5.19 -2.01 -3.29 116.42 116.18 1jke h ASP 100 Ca -0.03 -0.48 0.32 0.00 -0.62 0.00 0.00 57.03 56.22 1jke h ASP 100 Cb 0.21 0.03 -0.08 0.00 0.18 0.00 0.00 39.33 39.66 1jke h ASP 100 CO 0.05 0.49 0.77 0.03 -3.12 0.00 0.00 179.24 177.46 1jke h ARG 101 N -0.77 0.20 -0.46 3.56 3.08 -1.97 0.14 114.38 118.15 1jke h ARG 101 Ca -0.01 -0.01 -0.03 0.00 0.07 0.00 0.00 59.98 60.00 1jke h ARG 101 Cb 0.58 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.56 1jke h ARG 101 CO 0.02 0.13 0.17 0.00 -1.07 0.00 0.00 179.97 179.22 1jke h ALA 102 N 1.53 0.60 -0.46 0.04 0.00 -1.62 -1.93 119.26 117.42 1jke h ALA 102 Ca 0.62 -0.16 -0.13 0.00 0.00 0.00 0.00 54.91 55.24 1jke h ALA 102 Cb 1.96 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 19.56 1jke h ALA 102 CO -0.20 0.23 -0.23 1.49 0.00 0.00 0.00 179.25 180.54 1jke h GLU 103 N 0.60 0.96 -0.48 0.00 4.81 -0.85 -1.47 114.58 118.16 1jke h GLU 103 Ca 0.15 -0.42 0.04 0.00 -0.13 0.00 0.00 59.36 59.00 1jke h GLU 103 Cb 0.22 -0.03 -0.04 0.00 0.63 0.00 0.00 28.75 29.54 1jke h GLU 103 CO -0.01 1.09 0.25 0.00 -0.73 0.00 0.00 179.01 179.61 1jke h ALA 104 N 0.85 0.61 -0.21 2.92 0.00 -1.18 0.19 119.26 122.44 1jke h ALA 104 Ca 0.10 0.02 -0.14 0.00 0.00 0.00 0.00 54.91 54.89 1jke h ALA 104 Cb 0.80 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 1jke h ALA 104 CO 0.07 -0.10 -0.45 -0.07 0.00 0.00 0.00 179.25 178.70 1jke h LEU 105 N 0.49 0.56 0.17 0.00 3.38 -1.28 -0.88 115.31 117.75 1jke h LEU 105 Ca 0.21 -0.26 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 1jke h LEU 105 Cb 0.11 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.70 1jke h LEU 105 CO -0.14 0.93 -0.08 0.22 0.09 0.00 0.00 178.44 179.46 1jke h TYR 106 N 0.42 -0.21 -0.74 1.13 3.20 -0.63 -0.43 116.97 119.71 1jke h TYR 106 Ca 0.03 -0.00 0.01 0.00 3.14 0.00 0.00 58.73 61.90 1jke h TYR 106 Cb 0.96 0.07 -0.04 0.00 1.54 0.00 0.00 36.73 39.26 1jke h TYR 106 CO 0.04 0.00 0.49 -0.44 -1.64 0.00 0.00 178.16 176.61 1jke h ASP 107 N -0.39 0.85 -0.30 -2.11 3.32 -0.59 -1.44 116.42 115.76 1jke h ASP 107 Ca -0.02 -0.02 -0.01 0.00 0.02 0.00 0.00 57.03 56.99 1jke h ASP 107 Cb 0.30 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.63 1jke h ASP 107 CO 0.04 0.61 0.13 0.22 -1.72 0.00 0.00 179.24 178.52 1jke h TYR 108 N 1.00 0.45 -0.45 4.55 3.20 -0.90 -0.14 116.97 124.68 1jke h TYR 108 Ca 0.27 -0.03 0.02 0.00 3.14 0.00 0.00 58.73 62.13 1jke h TYR 108 Cb -0.10 -0.14 -0.03 0.00 1.54 0.00 0.00 36.73 38.00 1jke h TYR 108 CO -0.00 0.42 0.27 0.35 -1.64 0.00 0.00 178.16 177.56 1jke h PHE 109 N 0.34 0.51 -0.56 -3.82 3.57 -0.46 0.56 116.94 117.08 1jke h PHE 109 Ca 0.10 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.61 1jke h PHE 109 Cb 0.15 -0.17 -0.03 0.00 2.79 0.00 0.00 35.95 38.70 1jke h PHE 109 CO -0.01 0.30 0.31 0.28 -2.23 0.00 0.00 178.31 176.95 1jke h VAL 110 N 0.55 1.19 -0.33 1.41 2.07 -1.08 -1.39 116.25 118.67 1jke h VAL 110 Ca 0.18 -0.47 -0.07 0.00 0.82 0.00 0.00 66.70 67.15 1jke h VAL 110 Cb -0.00 0.48 -0.02 0.00 -1.52 0.00 0.00 31.29 30.23 1jke h VAL 110 CO -0.07 0.20 -0.11 -0.08 0.02 0.00 0.00 177.57 177.52 1jke h GLU 111 N 0.75 0.56 -0.37 1.57 4.57 -0.56 -1.57 114.58 119.53 1jke h GLU 111 Ca 0.20 -0.16 -0.09 0.00 -1.18 0.00 0.00 59.36 58.12 1jke h GLU 111 Cb 0.05 -0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 28.56 1jke h GLU 111 CO -0.03 0.67 -0.16 0.00 -1.18 0.00 0.00 179.01 178.31 1jke h ARG 112 N 0.52 0.68 0.01 1.92 2.47 -0.46 0.79 114.38 120.31 1jke h ARG 112 Ca 0.09 -0.24 -0.00 0.00 -1.26 0.00 0.00 59.98 58.58 1jke h ARG 112 Cb 0.50 -0.05 0.00 0.00 -1.65 0.00 0.00 29.97 28.77 1jke h ARG 112 CO 0.03 0.81 -0.01 0.00 0.56 0.00 0.00 179.97 181.36 1jke h ARG 114 N -0.10 0.56 0.00 0.00 3.08 -1.01 -0.74 114.38 116.17 1jke h ARG 114 Ca -0.00 -0.07 -0.00 0.00 0.07 0.00 0.00 59.98 59.97 1jke h ARG 114 Cb 0.09 -0.11 -0.00 0.00 0.08 0.00 0.00 29.97 30.03 1jke h ARG 114 CO 0.00 0.47 -0.02 1.96 -1.07 0.00 0.00 179.97 181.31 1jke h GLN 115 N 0.56 0.00 -0.44 0.04 4.20 -0.42 -0.52 115.11 118.53 1jke h GLN 115 Ca 0.14 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.85 1jke h GLN 115 Cb 0.12 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.90 1jke h GLN 115 CO -0.01 0.02 0.00 1.04 -0.67 0.00 0.00 178.83 179.21 1jke n GLN 116 N -3.15 1.95 -2.69 1.46 1.13 -0.30 -4.88 117.38 110.90 1jke n GLN 116 Ca -0.01 -1.19 -0.15 0.00 -1.94 0.00 0.00 57.00 53.72 1jke n GLN 116 Cb 0.24 -1.38 0.02 0.00 0.11 0.00 0.00 30.24 29.23 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 0.39 -2.99 -3.57 -1.09 1.02 -0.20 -5.01 120.64 109.18 1jke n GLU 117 Ca 0.11 0.64 -0.37 0.00 -0.02 0.00 0.00 57.16 57.52 1jke n GLU 117 Cb 0.36 -4.92 -0.07 0.00 -0.02 0.00 0.00 31.44 26.79 1jke n GLU 117 CO 0.00 0.00 0.00 -1.64 1.18 0.00 0.00 177.13 176.67 1jke s MET 118 N -5.22 4.04 -0.39 3.49 -1.94 -1.14 -5.01 119.30 113.13 1jke s MET 118 Ca 0.17 0.15 -0.28 0.00 -1.71 0.00 0.00 55.69 54.02 1jke s MET 118 Cb -0.08 -3.34 -0.01 0.00 2.01 0.00 0.00 34.83 33.42 1jke s MET 118 CO 0.21 0.44 1.62 1.21 -0.01 0.00 0.00 175.02 178.49 1jke s ASN 119 N -0.16 6.06 -0.00 3.03 2.47 -1.26 -4.43 114.94 120.65 1jke s ASN 119 Ca 0.18 1.01 0.06 0.00 0.42 0.00 0.00 52.86 54.53 1jke s ASN 119 Cb -0.14 -2.53 -0.03 0.00 -1.45 0.00 0.00 41.25 37.10 1jke s ASN 119 CO 0.06 -1.62 -0.17 -0.89 -3.72 0.00 0.00 177.10 170.76 1jke s THR 120 N 6.34 2.86 0.13 -5.21 2.01 -1.26 -1.70 115.64 118.81 1jke s THR 120 Ca 0.70 -0.98 0.05 0.00 0.31 0.00 0.00 61.69 61.77 1jke s THR 120 Cb -0.18 -2.15 -0.04 0.00 0.01 0.00 0.00 72.50 70.14 1jke s THR 120 CO 0.32 0.47 -0.11 -1.10 -0.69 0.00 0.00 174.62 173.51 1jke s GLN 121 N -1.07 1.02 0.34 4.92 -1.52 0.04 -4.99 119.66 118.40 1jke s GLN 121 Ca 0.13 -1.34 0.00 0.00 -1.95 0.00 0.00 55.36 52.20 1jke s GLN 121 Cb -0.11 -0.69 -0.01 0.00 -0.22 0.00 0.00 33.01 31.99 1jke s GLN 121 CO 0.03 0.10 0.42 0.95 -0.25 0.00 0.00 175.29 176.54 1jke s THR 122 N -2.84 0.00 0.15 -0.19 -4.23 -1.26 -0.60 115.64 106.68 1jke s THR 122 Ca 0.13 -1.71 0.06 0.00 -1.18 0.00 0.00 61.69 58.99 1jke s THR 122 Cb -0.01 -2.61 -0.04 0.00 1.34 0.00 0.00 72.50 71.18 1jke s THR 122 CO 0.01 0.00 -0.13 -0.83 -0.54 0.00 0.00 174.62 173.13 1jke s GLY 123 N -3.28 1.19 0.10 3.99 0.00 -1.18 -3.64 107.32 104.50 1jke s GLY 123 Ca 0.33 -1.46 -0.31 0.00 0.00 0.00 0.00 44.72 43.28 1jke s GLY 123 CO 0.23 -1.54 1.84 0.50 0.00 0.00 0.00 173.10 174.12 1jke s ARG 124 N -3.25 4.14 0.12 2.90 0.52 -1.26 -4.81 118.95 117.31 1jke s ARG 124 Ca 0.15 2.58 0.02 0.00 -0.52 0.00 0.00 55.73 57.96 1jke s ARG 124 Cb -0.02 -3.70 0.33 0.00 0.52 0.00 0.00 34.95 32.09 1jke s ARG 124 CO 0.04 -0.86 0.57 0.34 0.02 0.00 0.00 175.30 175.41 1jke n PHE 125 N 6.02 0.28 -1.79 -0.53 7.35 -1.26 -1.89 117.46 125.64 1jke n PHE 125 Ca 0.18 0.44 0.02 0.00 -0.76 0.00 0.00 57.45 57.33 1jke n PHE 125 Cb 0.39 -0.80 0.03 0.00 0.35 0.00 0.00 39.48 39.45 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 -3.29 2.07 -1.91 3.13 0.00 -1.26 -4.60 120.51 114.65 1jke n ALA 126 Ca 0.10 -1.40 -0.32 0.00 0.00 0.00 0.00 53.44 51.81 1jke n ALA 126 Cb 0.33 -0.47 -0.05 0.00 0.00 0.00 0.00 19.45 19.25 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 -0.68 3.12 -0.12 0.00 0.00 -0.79 -4.99 121.76 118.30 1jke s ALA 127 Ca 0.08 0.21 -0.29 0.00 0.00 0.00 0.00 51.96 51.95 1jke s ALA 127 Cb 0.07 -3.04 -0.03 0.00 0.00 0.00 0.00 23.12 20.12 1jke s ALA 127 CO 0.00 0.01 1.46 0.34 0.00 0.00 0.00 175.76 177.57 1jke s ASP 128 N -2.63 6.79 0.17 0.00 2.15 -1.26 -4.92 116.67 116.97 1jke s ASP 128 Ca 0.59 1.94 0.07 0.00 0.43 0.00 0.00 52.55 55.57 1jke s ASP 128 Cb -0.10 -2.54 -0.04 0.00 -0.30 0.00 0.00 42.92 39.94 1jke s ASP 128 CO 0.22 -0.86 -0.14 -0.04 -0.17 0.00 0.00 175.17 174.18 1jke s MET 129 N 3.80 1.21 -0.29 4.34 -1.94 -1.26 -4.55 119.30 120.60 1jke s MET 129 Ca 0.64 -1.46 -0.04 0.00 -1.71 0.00 0.00 55.69 53.12 1jke s MET 129 Cb -0.27 -1.03 0.03 0.00 2.01 0.00 0.00 34.83 35.57 1jke s MET 129 CO 0.22 0.18 0.02 -0.65 -0.01 0.00 0.00 175.02 174.78 1jke s GLN 130 N -3.29 2.76 -0.43 2.03 -1.52 -0.77 -4.97 119.66 113.47 1jke s GLN 130 Ca 0.17 -1.06 -0.14 0.00 -1.95 0.00 0.00 55.36 52.39 1jke s GLN 130 Cb -0.02 -3.22 0.05 0.00 -0.22 0.00 0.00 33.01 29.60 1jke s GLN 130 CO 0.05 -0.52 0.32 0.08 -0.25 0.00 0.00 175.29 174.97 1jke s VAL 131 N 1.37 4.98 -0.04 1.09 1.01 -1.26 -1.31 120.40 126.24 1jke s VAL 131 Ca -0.01 -0.97 -0.15 0.00 0.00 0.00 0.00 61.98 60.85 1jke s VAL 131 Cb -0.18 -3.90 -0.05 0.00 0.00 0.00 0.00 36.38 32.25 1jke s VAL 131 CO -0.00 -0.44 0.40 -0.44 0.00 0.00 0.00 175.10 174.62 1jke s SER 132 N 2.10 6.74 0.20 3.32 0.01 0.68 -4.94 113.70 121.80 1jke s SER 132 Ca 0.04 0.88 -0.22 0.00 1.31 0.00 0.00 55.95 57.96 1jke s SER 132 Cb -0.22 -2.25 0.05 0.00 0.21 0.00 0.00 66.02 63.82 1jke s SER 132 CO 0.07 0.24 0.62 -1.48 0.41 0.00 0.00 173.24 173.11 1jke s LEU 133 N -0.59 -0.41 -0.29 2.44 2.34 -1.26 0.01 118.68 120.92 1jke s LEU 133 Ca 0.23 -0.21 0.02 0.00 0.06 0.00 0.00 54.13 54.22 1jke s LEU 133 Cb -0.16 2.59 0.08 0.00 -0.56 0.00 0.00 46.19 48.14 1jke s LEU 133 CO 0.12 -1.08 0.01 -0.69 -1.06 0.00 0.00 176.35 173.64 1jke s VAL 134 N -3.81 1.69 -0.29 1.48 1.01 -0.79 -4.99 120.40 114.70 1jke s VAL 134 Ca 0.04 -1.66 -0.29 0.00 0.00 0.00 0.00 61.98 60.07 1jke s VAL 134 Cb -0.02 -2.10 0.01 0.00 0.00 0.00 0.00 36.38 34.26 1jke s VAL 134 CO -0.07 -0.38 1.18 0.21 0.00 0.00 0.00 175.10 176.05 1jke s ASN 135 N 1.25 6.83 -0.64 3.32 3.84 -1.26 -1.85 114.94 126.44 1jke s ASN 135 Ca 0.03 1.18 -0.23 0.00 0.21 0.00 0.00 52.86 54.05 1jke s ASN 135 Cb -0.19 -2.54 0.06 0.00 -0.55 0.00 0.00 41.25 38.03 1jke s ASN 135 CO -0.11 -0.94 0.97 -0.62 -2.79 0.00 0.00 177.10 173.61 1jke s ASP 136 N 2.13 6.20 0.00 -4.21 2.15 0.65 -4.45 116.67 119.15 1jke s ASP 136 Ca 0.51 -0.84 0.00 0.00 0.43 0.00 0.00 52.55 52.65 1jke s ASP 136 Cb -0.15 -2.43 0.00 0.00 -0.30 0.00 0.00 42.92 40.04 1jke s ASP 136 CO 0.18 -1.42 0.00 0.61 -0.17 0.00 0.00 175.17 174.38 1jke n GLY 137 N 5.29 1.05 3.84 2.66 0.00 -1.26 -3.48 105.19 113.29 1jke n GLY 137 Ca -0.02 -0.11 -0.31 0.00 0.00 0.00 0.00 46.02 45.58 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 3.14 -0.13 1.61 0.04 -1.26 -5.17 135.00 133.23 1jke s PRO 138 Ca 0.00 0.80 -0.02 0.00 0.04 0.00 0.00 61.00 61.83 1jke s PRO 138 Cb 0.00 -2.02 0.04 0.00 0.04 0.00 0.00 34.50 32.56 1jke s PRO 138 CO 0.00 -0.91 -0.01 0.08 0.04 0.00 0.00 177.00 176.20 1jke s VAL 139 N -3.14 0.64 -0.03 -0.36 1.01 -1.23 -5.06 120.40 112.23 1jke s VAL 139 Ca 0.57 -0.28 -0.00 0.00 0.00 0.00 0.00 61.98 62.26 1jke s VAL 139 Cb -0.13 -0.90 0.03 0.00 0.00 0.00 0.00 36.38 35.39 1jke s VAL 139 CO 0.54 0.10 0.02 -0.89 0.00 0.00 0.00 175.10 174.88 1jke s THR 140 N 1.84 0.08 0.02 3.92 2.01 -1.26 -1.35 115.64 120.89 1jke s THR 140 Ca 0.02 0.20 0.04 0.00 0.31 0.00 0.00 61.69 62.26 1jke s THR 140 Cb -0.14 -0.22 -0.02 0.00 0.01 0.00 0.00 72.50 72.13 1jke s THR 140 CO -0.07 0.15 -0.12 -0.36 -0.69 0.00 0.00 174.62 173.53 1jke s PHE 141 N 1.38 1.09 -0.37 4.92 0.40 -0.30 -4.99 117.98 120.11 1jke s PHE 141 Ca -0.05 -0.29 -0.12 0.00 -0.60 0.00 0.00 56.93 55.87 1jke s PHE 141 Cb -0.13 -0.67 0.01 0.00 0.51 0.00 0.00 43.02 42.74 1jke s PHE 141 CO -0.03 0.00 0.23 -0.46 0.70 0.00 0.00 175.22 175.67 1jke s TRP 142 N -0.61 3.23 -0.06 0.36 -0.11 -1.26 -0.80 118.94 119.69 1jke s TRP 142 Ca 0.02 -0.64 0.03 0.00 1.22 0.00 0.00 56.10 56.73 1jke s TRP 142 Cb -0.06 -2.48 -0.03 0.00 -1.50 0.00 0.00 33.47 29.40 1jke s TRP 142 CO 0.00 -0.54 -0.13 -0.51 -4.62 0.00 0.00 176.95 171.15 1jke s LEU 143 N 1.63 2.81 -0.08 5.86 1.43 -0.18 -5.00 118.68 125.15 1jke s LEU 143 Ca 0.04 -0.17 -0.16 0.00 -1.03 0.00 0.00 54.13 52.81 1jke s LEU 143 Cb -0.18 -1.58 0.04 0.00 0.03 0.00 0.00 46.19 44.49 1jke s LEU 143 CO 0.08 0.34 0.39 -1.58 0.23 0.00 0.00 176.35 175.81 1jke s GLN 144 N -0.68 0.61 0.00 1.70 0.74 -1.26 -0.02 119.66 120.76 1jke s GLN 144 Ca 0.10 0.21 0.00 0.00 0.05 0.00 0.00 55.36 55.72 1jke s GLN 144 Cb -0.11 0.28 0.00 0.00 1.10 0.00 0.00 33.01 34.28 1jke s GLN 144 CO 0.01 -0.14 0.25 1.33 -0.55 0.00 0.00 175.29 176.19