#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 2.07 -0.23 1.12 1.01 0.10 -1.66 121.20 123.61 1jke s ILE 2 Ca 0.00 -1.08 0.00 0.00 0.00 0.00 0.00 60.65 59.58 1jke s ILE 2 Cb 0.00 -1.73 0.06 0.00 0.01 0.00 0.00 42.46 40.80 1jke s ILE 2 CO 0.00 0.57 -0.05 0.00 0.00 0.00 0.00 174.94 175.47 1jke s ALA 3 N -0.33 1.88 -0.44 9.38 0.00 0.61 -0.68 121.76 132.17 1jke s ALA 3 Ca 0.02 -1.30 -0.17 0.00 0.00 0.00 0.00 51.96 50.51 1jke s ALA 3 Cb -0.12 -1.41 0.03 0.00 0.00 0.00 0.00 23.12 21.62 1jke s ALA 3 CO 0.02 -1.19 0.44 -1.17 0.00 0.00 0.00 175.76 173.87 1jke s LEU 4 N 1.43 5.01 -0.02 0.00 1.98 -0.26 -0.56 118.68 126.27 1jke s LEU 4 Ca -0.05 -0.82 0.00 0.00 -2.89 0.00 0.00 54.13 50.37 1jke s LEU 4 Cb -0.19 -2.34 -0.04 0.00 0.66 0.00 0.00 46.19 44.28 1jke s LEU 4 CO -0.06 -0.62 0.03 0.27 -1.89 0.00 0.00 176.35 174.08 1jke s ILE 5 N 2.09 4.39 -0.06 6.68 -4.36 0.18 -1.28 121.20 128.84 1jke s ILE 5 Ca 0.11 -0.47 0.03 0.00 -0.26 0.00 0.00 60.65 60.05 1jke s ILE 5 Cb -0.19 -2.96 0.01 0.00 1.25 0.00 0.00 42.46 40.57 1jke s ILE 5 CO 0.12 0.40 -0.14 -1.10 0.24 0.00 0.00 174.94 174.47 1jke s GLN 6 N -1.52 1.73 -0.17 0.37 -0.21 -0.52 -1.22 119.66 118.12 1jke s GLN 6 Ca 0.20 -0.47 -0.29 0.00 0.02 0.00 0.00 55.36 54.82 1jke s GLN 6 Cb -0.12 -1.44 -0.00 0.00 1.00 0.00 0.00 33.01 32.45 1jke s GLN 6 CO 0.10 0.09 1.08 0.50 -2.12 0.00 0.00 175.29 174.94 1jke s ARG 7 N 0.48 4.31 0.24 2.91 3.52 -0.64 -1.33 118.95 128.44 1jke s ARG 7 Ca -0.12 1.45 0.08 0.00 -0.13 0.00 0.00 55.73 57.01 1jke s ARG 7 Cb -0.14 -3.63 -0.05 0.00 -1.56 0.00 0.00 34.95 29.57 1jke s ARG 7 CO 0.03 -0.54 -0.13 0.14 -0.81 0.00 0.00 175.30 173.99 1jke s VAL 8 N 2.85 1.84 -0.07 7.11 -7.23 -0.19 -0.69 120.40 124.02 1jke s VAL 8 Ca 0.48 -2.22 0.22 0.00 -1.81 0.00 0.00 61.98 58.65 1jke s VAL 8 Cb -0.18 -2.22 -0.28 0.00 0.56 0.00 0.00 36.38 34.27 1jke s VAL 8 CO 0.12 -0.47 0.55 0.35 -0.31 0.00 0.00 175.10 175.34 1jke n THR 9 N -0.49 0.19 -3.55 5.32 -2.24 -0.70 -1.38 114.28 111.44 1jke n THR 9 Ca -0.07 -0.53 -0.10 0.00 -2.27 0.00 0.00 64.05 61.09 1jke n THR 9 Cb 0.61 -0.09 -0.04 0.00 -2.10 0.00 0.00 70.33 68.71 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 -3.44 0.68 -0.21 -0.78 1.70 -1.20 -1.91 118.95 113.80 1jke s ARG 10 Ca -0.07 -0.01 -0.27 0.00 -0.47 0.00 0.00 55.73 54.91 1jke s ARG 10 Cb 0.13 0.32 0.07 0.00 -0.57 0.00 0.00 34.95 34.90 1jke s ARG 10 CO 0.89 -0.25 0.73 0.00 -1.08 0.00 0.00 175.30 175.59 1jke s ALA 11 N -1.86 -1.79 -0.11 7.88 0.00 -0.87 -1.77 121.76 123.25 1jke s ALA 11 Ca 0.01 1.82 -0.16 0.00 0.00 0.00 0.00 51.96 53.62 1jke s ALA 11 Cb -0.01 -0.86 0.04 0.00 0.00 0.00 0.00 23.12 22.29 1jke s ALA 11 CO -0.02 -0.34 0.42 -1.54 0.00 0.00 0.00 175.76 174.28 1jke s SER 12 N -0.09 -0.39 -0.08 0.00 1.04 0.66 -0.67 113.70 114.18 1jke s SER 12 Ca -0.03 0.61 0.05 0.00 0.48 0.00 0.00 55.95 57.06 1jke s SER 12 Cb -0.04 0.67 -0.00 0.00 0.10 0.00 0.00 66.02 66.75 1jke s SER 12 CO 0.03 -0.29 -0.24 0.54 0.98 0.00 0.00 173.24 174.27 1jke s VAL 13 N -0.39 1.98 0.07 5.02 0.11 -0.21 -0.47 120.40 126.51 1jke s VAL 13 Ca -0.05 -1.00 0.07 0.00 -2.93 0.00 0.00 61.98 58.07 1jke s VAL 13 Cb -0.03 -1.70 -0.03 0.00 -1.53 0.00 0.00 36.38 33.09 1jke s VAL 13 CO 0.03 0.55 -0.19 0.42 -3.33 0.00 0.00 175.10 172.57 1jke s THR 14 N 0.10 1.55 -0.26 5.04 -4.23 -0.59 -1.22 115.64 116.03 1jke s THR 14 Ca -0.11 -1.34 0.02 0.00 -1.18 0.00 0.00 61.69 59.08 1jke s THR 14 Cb -0.16 -1.40 0.07 0.00 1.34 0.00 0.00 72.50 72.36 1jke s THR 14 CO 0.06 0.01 -0.05 -0.69 -0.54 0.00 0.00 174.62 173.42 1jke s VAL 15 N -1.02 1.77 -1.46 2.29 1.01 -0.42 -1.21 120.40 121.36 1jke s VAL 15 Ca 0.05 -1.50 -0.07 0.00 0.00 0.00 0.00 61.98 60.46 1jke s VAL 15 Cb -0.09 -2.05 0.05 0.00 0.00 0.00 0.00 36.38 34.29 1jke s VAL 15 CO 0.03 -0.19 0.73 -0.62 0.00 0.00 0.00 175.10 175.05 1jke n GLU 16 N 4.56 -4.45 0.00 2.72 1.02 -1.26 -1.27 120.64 121.95 1jke n GLU 16 Ca -0.10 0.52 0.00 0.00 -0.02 0.00 0.00 57.16 57.57 1jke n GLU 16 Cb 0.43 -5.10 0.00 0.00 -0.02 0.00 0.00 31.44 26.75 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 -1.69 2.86 3.67 0.62 0.00 -1.26 -5.00 105.19 104.38 1jke n GLY 17 Ca -0.15 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.45 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 -0.23 4.32 -0.46 1.61 2.56 -0.40 -4.96 118.70 121.14 1jke s GLU 18 Ca 0.00 1.44 -0.29 0.00 0.00 0.00 0.00 54.97 56.12 1jke s GLU 18 Cb 0.00 -3.61 0.02 0.00 2.00 0.00 0.00 34.13 32.54 1jke s GLU 18 CO 0.00 -0.51 1.28 0.08 -0.56 0.00 0.00 175.26 175.54 1jke s VAL 19 N 2.73 4.03 -0.16 3.70 1.01 -1.26 -1.30 120.40 129.15 1jke s VAL 19 Ca 0.48 1.03 0.17 0.00 0.00 0.00 0.00 61.98 63.67 1jke s VAL 19 Cb -0.18 -4.44 -0.04 0.00 0.00 0.00 0.00 36.38 31.72 1jke s VAL 19 CO 0.13 -0.94 1.07 0.71 0.00 0.00 0.00 175.10 176.06 1jke h THR 20 N 6.34 0.52 -1.77 3.92 1.35 -1.45 -3.48 112.91 118.35 1jke h THR 20 Ca -0.25 -1.89 0.02 0.00 -0.55 0.00 0.00 66.41 63.73 1jke h THR 20 Cb 1.08 2.07 -0.22 0.00 -1.73 0.00 0.00 68.15 69.35 1jke h THR 20 CO 1.12 0.30 0.35 -0.83 -0.25 0.00 0.00 175.52 176.21 1jke s GLY 21 N -4.62 -0.37 -0.24 5.82 0.00 -1.15 -4.46 107.32 102.31 1jke s GLY 21 Ca -0.00 2.01 -0.22 0.00 0.00 0.00 0.00 44.72 46.51 1jke s GLY 21 CO 0.78 1.35 0.64 1.85 0.00 0.00 0.00 173.10 177.72 1jke s GLU 22 N -0.51 0.74 0.16 2.90 2.12 -1.26 -1.04 118.70 121.80 1jke s GLU 22 Ca -0.03 0.90 -0.00 0.00 0.36 0.00 0.00 54.97 56.20 1jke s GLU 22 Cb -0.02 0.35 -0.04 0.00 0.26 0.00 0.00 34.13 34.68 1jke s GLU 22 CO 0.02 -0.09 0.06 0.96 -0.54 0.00 0.00 175.26 175.66 1jke s ILE 23 N 0.39 0.24 0.00 -3.70 -4.36 0.16 -4.92 121.20 109.01 1jke s ILE 23 Ca -0.00 -1.94 0.00 0.00 -0.26 0.00 0.00 60.65 58.44 1jke s ILE 23 Cb -0.04 -2.16 0.00 0.00 1.25 0.00 0.00 42.46 41.51 1jke s ILE 23 CO 0.00 -0.38 0.00 0.61 0.24 0.00 0.00 174.94 175.41 1jke n GLY 24 N -0.17 0.67 3.76 6.27 0.00 -1.26 -2.04 105.19 112.42 1jke n GLY 24 Ca -0.04 -0.11 -0.39 0.00 0.00 0.00 0.00 46.02 45.48 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 3.07 0.00 4.61 0.00 -0.81 -3.21 121.76 122.22 1jke s ALA 25 Ca 0.00 1.24 0.00 0.00 0.00 0.00 0.00 51.96 53.20 1jke s ALA 25 Cb 0.00 -3.51 0.00 0.00 0.00 0.00 0.00 23.12 19.61 1jke s ALA 25 CO 0.00 -1.01 0.00 0.41 0.00 0.00 0.00 175.76 175.16 1jke n GLY 26 N 0.63 -0.14 3.12 0.00 0.00 -0.48 -1.43 105.19 106.89 1jke n GLY 26 Ca 0.07 -0.67 -0.24 0.00 0.00 0.00 0.00 46.02 45.18 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 1.97 -0.27 0.99 1.43 -0.21 -1.02 118.68 121.57 1jke s LEU 27 Ca 0.00 -0.29 -0.10 0.00 -1.03 0.00 0.00 54.13 52.71 1jke s LEU 27 Cb 0.00 -0.83 -0.04 0.00 0.03 0.00 0.00 46.19 45.35 1jke s LEU 27 CO 0.00 0.17 0.15 -0.22 0.23 0.00 0.00 176.35 176.68 1jke s LEU 28 N -0.21 3.89 -0.31 1.79 2.96 -0.44 -1.12 118.68 125.24 1jke s LEU 28 Ca 0.03 -0.04 -0.06 0.00 -0.22 0.00 0.00 54.13 53.84 1jke s LEU 28 Cb -0.08 -2.07 0.03 0.00 0.50 0.00 0.00 46.19 44.58 1jke s LEU 28 CO 0.00 -0.03 0.07 -0.69 -1.32 0.00 0.00 176.35 174.39 1jke s VAL 29 N 1.61 3.70 -0.23 1.68 1.01 0.82 -1.44 120.40 127.54 1jke s VAL 29 Ca 0.07 -1.01 -0.18 0.00 0.00 0.00 0.00 61.98 60.87 1jke s VAL 29 Cb -0.15 -3.02 -0.03 0.00 0.00 0.00 0.00 36.38 33.18 1jke s VAL 29 CO 0.08 -0.06 0.49 -0.76 0.00 0.00 0.00 175.10 174.85 1jke s LEU 30 N 1.41 4.10 -0.18 3.92 1.43 -0.41 -0.65 118.68 128.30 1jke s LEU 30 Ca -0.01 0.55 -0.04 0.00 -1.03 0.00 0.00 54.13 53.61 1jke s LEU 30 Cb -0.19 -2.64 -0.02 0.00 0.03 0.00 0.00 46.19 43.38 1jke s LEU 30 CO 0.02 -0.21 -0.04 -0.22 0.23 0.00 0.00 176.35 176.13 1jke s LEU 31 N 1.93 3.14 -0.16 1.79 2.96 -0.09 -1.10 118.68 127.15 1jke s LEU 31 Ca 0.21 -0.22 0.01 0.00 -0.22 0.00 0.00 54.13 53.92 1jke s LEU 31 Cb -0.15 -1.77 0.01 0.00 0.50 0.00 0.00 46.19 44.77 1jke s LEU 31 CO 0.09 0.11 -0.19 -0.83 -1.32 0.00 0.00 176.35 174.21 1jke s GLY 32 N 0.74 1.41 -0.09 7.98 0.00 0.14 -0.32 107.32 117.18 1jke s GLY 32 Ca -0.02 -1.11 -0.19 0.00 0.00 0.00 0.00 44.72 43.41 1jke s GLY 32 CO 0.02 0.07 0.50 0.14 0.00 0.00 0.00 173.10 173.84 1jke s VAL 33 N 0.94 5.13 0.18 1.40 1.01 -1.26 -0.72 120.40 127.08 1jke s VAL 33 Ca -0.03 1.02 0.04 0.00 0.00 0.00 0.00 61.98 63.00 1jke s VAL 33 Cb -0.15 -3.84 -0.03 0.00 0.00 0.00 0.00 36.38 32.36 1jke s VAL 33 CO -0.04 0.35 0.26 -1.61 0.00 0.00 0.00 175.10 174.07 1jke s GLU 34 N 0.39 3.28 0.27 2.72 2.02 -1.26 -3.92 118.70 122.20 1jke s GLU 34 Ca 0.27 -0.73 -0.01 0.00 0.02 0.00 0.00 54.97 54.52 1jke s GLU 34 Cb -0.16 -2.85 0.58 0.00 0.10 0.00 0.00 34.13 31.80 1jke s GLU 34 CO 0.12 0.48 1.70 -0.22 0.02 0.00 0.00 175.26 177.36 1jke h LYS 35 N 1.90 0.35 -0.76 1.61 3.64 -1.47 -1.69 116.57 120.16 1jke h LYS 35 Ca -0.49 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 58.87 1jke h LYS 35 Cb 1.21 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.95 1jke h LYS 35 CO 0.65 0.23 0.00 -0.25 -2.27 0.00 0.00 179.45 177.81 1jke n ASP 36 N -5.08 3.19 -4.83 4.20 8.00 -1.26 -4.77 116.55 116.00 1jke n ASP 36 Ca 0.18 -2.42 -0.31 0.00 0.71 0.00 0.00 54.79 52.95 1jke n ASP 36 Cb 0.54 -0.56 0.05 0.00 -0.02 0.00 0.00 41.12 41.12 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 -0.43 5.35 0.34 -2.24 1.01 -0.63 -5.01 116.67 115.06 1jke s ASP 37 Ca 0.26 1.52 -0.11 0.00 0.71 0.00 0.00 52.55 54.94 1jke s ASP 37 Cb 0.20 -2.40 0.04 0.00 1.01 0.00 0.00 42.92 41.77 1jke s ASP 37 CO 0.08 -1.45 0.64 -0.90 0.21 0.00 0.00 175.17 173.76 1jke n ASP 38 N -3.12 -1.86 -0.18 0.27 3.85 -1.26 -5.03 116.55 109.21 1jke n ASP 38 Ca 0.07 -2.45 -0.01 0.00 -0.71 0.00 0.00 54.79 51.69 1jke n ASP 38 Cb 0.54 3.14 0.21 0.00 -1.35 0.00 0.00 41.12 43.67 1jke n ASP 38 CO 0.00 0.00 0.00 -0.33 -1.01 0.00 0.00 177.20 175.86 1jke h GLU 39 N 0.00 0.93 -0.40 0.11 5.08 -1.97 -1.99 114.58 116.34 1jke h GLU 39 Ca -0.28 -0.12 -0.02 0.00 -1.00 0.00 0.00 59.36 57.94 1jke h GLU 39 Cb 1.07 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 30.13 1jke h GLU 39 CO 0.36 0.72 0.17 1.96 -1.00 0.00 0.00 179.01 181.22 1jke h GLN 40 N 0.93 0.59 -0.61 2.33 7.50 -1.99 -1.38 115.11 122.48 1jke h GLN 40 Ca 0.23 -0.10 -0.07 0.00 0.50 0.00 0.00 58.65 59.21 1jke h GLN 40 Cb 0.09 -0.10 -0.03 0.00 0.05 0.00 0.00 27.48 27.49 1jke h GLN 40 CO -0.03 0.54 0.09 0.87 -1.50 0.00 0.00 178.83 178.80 1jke h LYS 41 N 0.50 0.99 -0.35 1.46 1.57 -1.91 -1.31 116.57 117.52 1jke h LYS 41 Ca 0.13 -0.25 0.00 0.00 -1.87 0.00 0.00 60.65 58.66 1jke h LYS 41 Cb 0.16 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.33 1jke h LYS 41 CO -0.01 0.92 0.22 0.00 -0.57 0.00 0.00 179.45 180.01 1jke h ALA 42 N 1.16 0.44 -0.32 3.86 0.00 -1.07 -0.44 119.26 122.89 1jke h ALA 42 Ca 0.19 -0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.94 1jke h ALA 42 Cb 0.41 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1jke h ALA 42 CO 0.01 -0.08 -0.30 -0.97 0.00 0.00 0.00 179.25 177.91 1jke h ASN 43 N 0.46 0.70 -0.68 0.00 -1.24 -1.03 -1.31 115.58 112.48 1jke h ASN 43 Ca 0.13 -0.28 -0.05 0.00 0.71 0.00 0.00 56.30 56.80 1jke h ASN 43 Cb -0.03 -0.19 -0.03 0.00 0.73 0.00 0.00 38.32 38.80 1jke h ASN 43 CO -0.03 0.96 0.21 0.03 -1.29 0.00 0.00 177.43 177.32 1jke h ARG 44 N 0.58 1.06 -0.57 6.67 3.08 -0.95 -0.62 114.38 123.63 1jke h ARG 44 Ca 0.07 -0.23 -0.09 0.00 0.07 0.00 0.00 59.98 59.80 1jke h ARG 44 Cb 0.80 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.68 1jke h ARG 44 CO 0.07 0.92 -0.01 1.25 -1.07 0.00 0.00 179.97 181.13 1jke h LEU 45 N 1.00 0.97 -0.62 3.04 5.85 -0.85 -1.78 115.31 122.91 1jke h LEU 45 Ca 0.22 -0.27 0.01 0.00 0.84 0.00 0.00 57.88 58.69 1jke h LEU 45 Cb 0.30 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.04 1jke h LEU 45 CO -0.01 1.02 0.40 0.00 -0.34 0.00 0.00 178.44 179.52 1jke h GLU 47 N 0.81 1.20 -0.36 0.00 5.08 -0.73 -0.68 114.58 119.89 1jke h GLU 47 Ca 0.23 -0.16 -0.04 0.00 -1.00 0.00 0.00 59.36 58.40 1jke h GLU 47 Cb -0.06 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 28.95 1jke h GLU 47 CO -0.07 0.90 0.08 0.00 -1.00 0.00 0.00 179.01 178.92 1jke h ARG 48 N 1.19 0.59 0.03 2.33 3.08 -0.67 -1.61 114.38 119.32 1jke h ARG 48 Ca 0.30 -0.15 -0.00 0.00 0.07 0.00 0.00 59.98 60.20 1jke h ARG 48 Cb 0.07 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.04 1jke h ARG 48 CO -0.04 0.64 -0.01 0.28 -1.07 0.00 0.00 179.97 179.76 1jke h VAL 49 N 0.44 0.99 0.00 2.04 2.07 -0.61 -0.02 116.25 121.15 1jke h VAL 49 Ca 0.11 -0.04 0.00 0.00 0.82 0.00 0.00 66.70 67.59 1jke h VAL 49 Cb 0.32 1.02 0.00 0.00 -1.52 0.00 0.00 31.29 31.11 1jke h VAL 49 CO 0.00 0.01 0.00 -0.07 0.02 0.00 0.00 177.57 177.53 1jke h LEU 50 N -0.06 0.00 -1.23 2.57 3.38 -1.10 -3.02 115.31 115.86 1jke h LEU 50 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1jke h LEU 50 Cb 0.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.80 1jke h LEU 50 CO 0.01 0.00 -0.17 0.61 0.09 0.00 0.00 178.44 178.98 1jke n GLY 51 N 0.07 0.06 3.67 0.83 0.00 -0.61 -3.94 105.19 105.27 1jke n GLY 51 Ca 0.01 -0.45 -0.42 0.00 0.00 0.00 0.00 46.02 45.16 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 -1.61 1.97 -1.30 1.61 5.04 -0.05 -4.66 117.35 118.35 1jke s TYR 52 Ca 0.16 0.11 -0.15 0.00 -2.44 0.00 0.00 57.07 54.74 1jke s TYR 52 Cb 0.13 -3.99 0.10 0.00 0.35 0.00 0.00 41.96 38.55 1jke s TYR 52 CO 0.30 -4.17 1.77 0.54 -1.34 0.00 0.00 175.55 172.65 1jke n ARG 53 N 6.79 3.23 -0.01 4.97 1.74 -1.26 -4.04 116.66 128.07 1jke n ARG 53 Ca 0.17 -3.33 0.01 0.00 -0.77 0.00 0.00 57.85 53.93 1jke n ARG 53 Cb 0.42 -3.28 0.01 0.00 -1.02 0.00 0.00 32.46 28.59 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 5.35 0.98 -3.83 0.55 -5.35 -0.93 -3.98 119.36 112.15 1jke n ILE 54 Ca 0.45 -1.01 -0.37 0.00 -0.27 0.00 0.00 62.75 61.55 1jke n ILE 54 Cb 0.43 0.48 -0.06 0.00 -1.74 0.00 0.00 39.64 38.74 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 -1.07 3.60 0.28 4.28 0.40 -0.03 -4.87 117.98 120.57 1jke s PHE 55 Ca 0.03 0.56 -0.29 0.00 -0.60 0.00 0.00 56.93 56.63 1jke s PHE 55 Cb 0.03 -1.99 -0.10 0.00 0.51 0.00 0.00 43.02 41.47 1jke s PHE 55 CO 0.00 0.69 1.24 -1.12 0.70 0.00 0.00 175.22 176.74 1jke s SER 56 N -0.92 6.96 0.45 1.36 0.01 -1.26 -1.75 113.70 118.54 1jke s SER 56 Ca 0.15 2.48 0.00 0.00 1.31 0.00 0.00 55.95 59.90 1jke s SER 56 Cb -0.12 -2.63 0.00 0.00 0.21 0.00 0.00 66.02 63.47 1jke s SER 56 CO 0.04 -0.41 0.00 -0.90 0.41 0.00 0.00 173.24 172.38 1jke n ASP 57 N 1.39 0.00 0.28 2.44 5.68 0.01 -4.83 116.55 121.52 1jke n ASP 57 Ca 0.01 -0.70 0.13 0.00 -0.50 0.00 0.00 54.79 53.74 1jke n ASP 57 Cb 0.43 0.00 0.81 0.00 -1.14 0.00 0.00 41.12 41.22 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 -1.27 1.43 -0.01 2.12 0.00 -1.97 -2.20 119.26 117.36 1jke h ALA 58 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1jke h ALA 58 Cb 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1jke h ALA 58 CO 0.00 0.08 -0.20 0.39 0.00 0.00 0.00 179.25 179.52 1jke n GLU 59 N -3.78 1.26 -0.46 0.00 1.02 -1.26 -4.94 120.64 112.48 1jke n GLU 59 Ca -0.02 -0.83 0.00 0.00 -0.02 0.00 0.00 57.16 56.28 1jke n GLU 59 Cb 0.16 -1.48 0.00 0.00 -0.02 0.00 0.00 31.44 30.10 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 1.31 0.77 3.90 0.62 0.00 -0.83 -5.07 105.19 105.89 1jke n GLY 60 Ca 0.14 -0.06 -0.32 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.59 3.42 -0.49 1.61 1.02 -1.26 -4.77 119.74 118.68 1jke s LYS 61 Ca 0.00 -0.37 -0.28 0.00 0.02 0.00 0.00 55.97 55.34 1jke s LYS 61 Cb 0.00 -3.06 -0.01 0.00 -0.52 0.00 0.00 37.83 34.24 1jke s LYS 61 CO 0.00 0.65 1.64 -1.64 -0.92 0.00 0.00 175.35 175.08 1jke s MET 62 N -2.14 3.16 0.00 1.68 -1.94 -1.26 -0.81 119.30 117.99 1jke s MET 62 Ca 0.30 0.83 0.00 0.00 -1.71 0.00 0.00 55.69 55.11 1jke s MET 62 Cb -0.13 -4.20 0.00 0.00 2.01 0.00 0.00 34.83 32.51 1jke s MET 62 CO 0.22 -2.09 0.00 0.09 -0.01 0.00 0.00 175.02 173.23 1jke n ASN 63 N 10.56 0.00 -4.35 3.03 3.02 -0.76 -4.78 115.26 121.97 1jke n ASN 63 Ca 0.18 -0.86 -0.30 0.00 -0.03 0.00 0.00 54.58 53.57 1jke n ASN 63 Cb 0.49 0.00 -0.15 0.00 -0.61 0.00 0.00 39.78 39.52 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 2.19 0.68 3.41 1.43 -0.72 -4.91 118.68 120.76 1jke s LEU 64 Ca 0.00 -0.59 -0.04 0.00 -1.03 0.00 0.00 54.13 52.48 1jke s LEU 64 Cb 0.00 -1.30 0.08 0.00 0.03 0.00 0.00 46.19 45.00 1jke s LEU 64 CO 0.00 0.26 0.96 0.54 0.23 0.00 0.00 176.35 178.33 1jke s ASN 65 N -1.27 4.74 0.45 2.29 2.20 -1.26 -0.85 114.94 121.25 1jke s ASN 65 Ca 0.12 0.12 0.15 0.00 -0.94 0.00 0.00 52.86 52.31 1jke s ASN 65 Cb -0.10 -0.75 1.09 0.00 -2.00 0.00 0.00 41.25 39.49 1jke s ASN 65 CO 0.02 -1.59 2.01 1.62 -2.94 0.00 0.00 177.10 176.22 1jke h VAL 66 N -0.44 0.91 -0.09 3.54 3.04 -1.72 -1.70 116.25 119.78 1jke h VAL 66 Ca -0.42 -0.11 -0.23 0.00 -1.01 0.00 0.00 66.70 64.93 1jke h VAL 66 Cb 1.29 0.56 0.01 0.00 -2.01 0.00 0.00 31.29 31.14 1jke h VAL 66 CO 0.52 0.06 -0.87 1.56 -1.01 0.00 0.00 177.57 177.83 1jke h GLN 67 N 0.32 0.71 -0.03 4.17 4.20 -1.85 0.35 115.11 122.99 1jke h GLN 67 Ca 0.23 -0.64 -0.07 0.00 0.06 0.00 0.00 58.65 58.23 1jke h GLN 67 Cb 0.48 0.15 -0.01 0.00 0.30 0.00 0.00 27.48 28.40 1jke h GLN 67 CO -0.05 1.25 -0.30 1.96 -0.67 0.00 0.00 178.83 181.01 1jke h GLN 68 N 0.46 0.05 -0.00 1.46 4.20 -1.76 -1.74 115.11 117.77 1jke h GLN 68 Ca -0.08 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.62 1jke h GLN 68 Cb 1.50 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.28 1jke h GLN 68 CO 0.17 0.35 -0.01 0.00 -0.67 0.00 0.00 178.83 178.67 1jke n ALA 69 N -2.48 2.66 -2.32 3.87 0.00 -0.69 -4.90 120.51 116.65 1jke n ALA 69 Ca -0.02 -0.27 -0.14 0.00 0.00 0.00 0.00 53.44 53.01 1jke n ALA 69 Cb 0.36 -1.40 -0.00 0.00 0.00 0.00 0.00 19.45 18.40 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 1.10 -0.20 4.01 0.00 0.00 -0.65 -5.01 105.19 104.44 1jke n GLY 70 Ca 0.21 -0.29 -0.22 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.42 1.74 0.47 -0.02 0.00 0.09 -5.00 107.32 102.18 1jke s GLY 71 Ca 0.02 -1.96 0.05 0.00 0.00 0.00 0.00 44.72 42.82 1jke s GLY 71 CO 0.03 -1.43 0.13 -0.56 0.00 0.00 0.00 173.10 171.27 1jke s SER 72 N -4.72 4.26 -0.05 1.64 0.01 -0.51 -4.72 113.70 109.60 1jke s SER 72 Ca 0.65 -1.37 0.01 0.00 1.31 0.00 0.00 55.95 56.54 1jke s SER 72 Cb -0.05 0.08 0.02 0.00 0.21 0.00 0.00 66.02 66.28 1jke s SER 72 CO 0.42 -0.75 -0.05 -0.69 0.41 0.00 0.00 173.24 172.58 1jke s VAL 73 N -2.75 0.59 -0.23 3.43 1.01 -0.51 -1.05 120.40 120.88 1jke s VAL 73 Ca 0.26 -0.13 -0.02 0.00 0.00 0.00 0.00 61.98 62.08 1jke s VAL 73 Cb 0.03 -0.62 0.01 0.00 0.00 0.00 0.00 36.38 35.80 1jke s VAL 73 CO 0.14 0.25 -0.06 -0.22 0.00 0.00 0.00 175.10 175.20 1jke s LEU 74 N 1.04 2.99 -0.18 3.92 2.96 -0.27 -0.59 118.68 128.56 1jke s LEU 74 Ca -0.09 -0.67 -0.08 0.00 -0.22 0.00 0.00 54.13 53.07 1jke s LEU 74 Cb -0.14 -1.68 -0.04 0.00 0.50 0.00 0.00 46.19 44.83 1jke s LEU 74 CO -0.01 -0.08 0.07 -0.69 -1.32 0.00 0.00 176.35 174.33 1jke s VAL 75 N 1.38 4.89 -0.04 1.68 1.01 -0.09 -0.12 120.40 129.10 1jke s VAL 75 Ca 0.03 0.00 0.02 0.00 0.00 0.00 0.00 61.98 62.02 1jke s VAL 75 Cb -0.15 -3.20 0.02 0.00 0.00 0.00 0.00 36.38 33.04 1jke s VAL 75 CO -0.05 0.46 -0.07 -0.69 0.00 0.00 0.00 175.10 174.76 1jke s VAL 76 N 0.32 0.68 0.26 2.92 1.01 0.17 -1.14 120.40 124.62 1jke s VAL 76 Ca 0.04 -0.23 -0.30 0.00 0.00 0.00 0.00 61.98 61.49 1jke s VAL 76 Cb -0.12 -0.67 -0.10 0.00 0.00 0.00 0.00 36.38 35.49 1jke s VAL 76 CO -0.00 0.25 1.37 -0.94 0.00 0.00 0.00 175.10 175.78 1jke s SER 77 N 0.73 6.75 -0.35 3.32 1.04 -1.26 -0.92 113.70 123.01 1jke s SER 77 Ca -0.11 2.60 0.02 0.00 0.48 0.00 0.00 55.95 58.93 1jke s SER 77 Cb -0.14 -2.63 0.15 0.00 0.10 0.00 0.00 66.02 63.50 1jke s SER 77 CO 0.01 -0.61 0.31 -1.58 0.98 0.00 0.00 173.24 172.35 1jke s GLN 78 N -0.67 0.56 0.36 4.02 2.00 0.56 -4.78 119.66 121.72 1jke s GLN 78 Ca 0.56 -0.92 0.27 0.00 -2.00 0.00 0.00 55.36 53.26 1jke s GLN 78 Cb -0.40 -0.90 1.20 0.00 0.80 0.00 0.00 33.01 33.71 1jke s GLN 78 CO 0.44 -1.18 1.80 0.27 -0.50 0.00 0.00 175.29 176.12 1jke h PHE 79 N 7.21 0.00 0.00 1.67 -5.15 -1.95 -2.99 116.94 115.73 1jke h PHE 79 Ca 0.03 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.80 1jke h PHE 79 Cb 1.03 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.20 1jke h PHE 79 CO 0.35 0.00 0.00 1.79 -2.00 0.00 0.00 178.31 178.45 1jke h THR 80 N 0.00 0.00 -0.00 0.88 1.35 -1.94 -3.18 112.91 110.02 1jke h THR 80 Ca 0.00 -0.56 -0.06 0.00 -0.55 0.00 0.00 66.41 65.24 1jke h THR 80 Cb 0.29 1.52 -0.01 0.00 -1.73 0.00 0.00 68.15 68.22 1jke h THR 80 CO 0.00 0.00 -0.30 -0.07 -0.25 0.00 0.00 175.52 174.90 1jke h LEU 81 N 0.00 0.00 -1.22 3.87 3.38 -1.90 -2.60 115.31 116.85 1jke h LEU 81 Ca 0.00 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1jke h LEU 81 Cb 0.59 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.34 1jke h LEU 81 CO 0.00 0.30 0.00 0.00 0.09 0.00 0.00 178.44 178.83 1jke n ALA 82 N -2.48 2.48 -1.48 1.53 0.00 -1.20 -4.94 120.51 114.42 1jke n ALA 82 Ca -0.02 -0.58 -0.33 0.00 0.00 0.00 0.00 53.44 52.51 1jke n ALA 82 Cb 0.35 -1.03 0.06 0.00 0.00 0.00 0.00 19.45 18.83 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 -1.65 2.38 -0.42 0.00 0.00 -0.98 -4.48 121.76 116.61 1jke s ALA 83 Ca 0.28 0.64 -0.20 0.00 0.00 0.00 0.00 51.96 52.69 1jke s ALA 83 Cb 0.15 -3.36 0.02 0.00 0.00 0.00 0.00 23.12 19.93 1jke s ALA 83 CO 0.21 -1.42 0.58 0.34 0.00 0.00 0.00 175.76 175.47 1jke s ASP 84 N -2.41 6.30 -0.07 0.00 2.15 0.13 -4.88 116.67 117.89 1jke s ASP 84 Ca 0.69 -0.37 0.11 0.00 0.43 0.00 0.00 52.55 53.41 1jke s ASP 84 Cb -0.23 -2.29 0.29 0.00 -0.30 0.00 0.00 42.92 40.39 1jke s ASP 84 CO 0.42 -0.70 1.22 0.35 -0.17 0.00 0.00 175.17 176.29 1jke n THR 85 N 5.71 1.48 -0.20 1.71 -2.24 -1.26 -1.46 114.28 118.03 1jke n THR 85 Ca -0.03 -1.44 0.00 0.00 -2.27 0.00 0.00 64.05 60.31 1jke n THR 85 Cb 0.48 0.18 0.09 0.00 -2.10 0.00 0.00 70.33 68.98 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 1.16 0.10 -3.50 -0.78 5.08 -1.97 -3.44 114.58 111.22 1jke h GLU 86 Ca 0.00 -0.01 -0.13 0.00 -1.00 0.00 0.00 59.36 58.23 1jke h GLU 86 Cb 0.91 -0.02 -0.19 0.00 0.50 0.00 0.00 28.75 29.95 1jke h GLU 86 CO 0.06 0.06 -0.43 1.03 -1.00 0.00 0.00 179.01 178.73 1jke s ARG 87 N -6.16 0.59 0.00 2.33 0.52 -1.26 -5.13 118.95 109.84 1jke s ARG 87 Ca -0.14 -0.50 0.00 0.00 -0.52 0.00 0.00 55.73 54.58 1jke s ARG 87 Cb 0.18 0.25 0.00 0.00 0.52 0.00 0.00 34.95 35.90 1jke s ARG 87 CO 0.73 -0.16 0.00 0.41 0.02 0.00 0.00 175.30 176.31 1jke n GLY 88 N 1.07 0.11 0.83 -3.53 0.00 -1.26 -4.68 105.19 97.73 1jke n GLY 88 Ca -0.21 -1.76 0.09 0.00 0.00 0.00 0.00 46.02 44.14 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 0.25 2.06 -3.98 1.61 2.81 -1.26 -4.80 117.12 113.82 1jke n MET 89 Ca 0.00 -1.62 -0.30 0.00 -1.81 0.00 0.00 57.70 53.97 1jke n MET 89 Cb 0.00 -1.41 -0.16 0.00 -0.71 0.00 0.00 33.22 30.94 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 -1.52 1.99 0.61 0.03 0.52 -1.26 -5.12 118.95 114.19 1jke s ARG 90 Ca 0.33 -0.64 -0.19 0.00 -0.52 0.00 0.00 55.73 54.72 1jke s ARG 90 Cb 0.18 -2.17 -0.03 0.00 0.52 0.00 0.00 34.95 33.45 1jke s ARG 90 CO 0.25 -0.34 1.24 -1.25 0.02 0.00 0.00 175.30 175.22 1jke s PRO 91 N 1.49 2.85 -0.22 3.54 0.04 -1.26 -4.97 135.00 136.48 1jke s PRO 91 Ca 0.02 1.92 -0.04 0.00 0.04 0.00 0.00 61.00 62.94 1jke s PRO 91 Cb -0.14 -1.92 -0.01 0.00 0.04 0.00 0.00 34.50 32.47 1jke s PRO 91 CO -0.09 -1.32 -0.05 0.45 0.04 0.00 0.00 177.00 176.02 1jke s SER 92 N -1.50 4.22 -1.00 6.66 0.15 -0.53 -4.94 113.70 116.76 1jke s SER 92 Ca 0.79 -0.41 -0.01 0.00 0.70 0.00 0.00 55.95 57.02 1jke s SER 92 Cb -0.33 -1.72 0.32 0.00 -1.71 0.00 0.00 66.02 62.58 1jke s SER 92 CO 0.36 -0.02 1.76 0.49 1.20 0.00 0.00 173.24 177.03 1jke n PHE 93 N 4.78 2.82 -1.18 3.44 3.01 -1.26 0.19 117.46 129.26 1jke n PHE 93 Ca -0.18 -2.65 0.05 0.00 1.01 0.00 0.00 57.45 55.68 1jke n PHE 93 Cb 0.51 -1.16 0.21 0.00 -0.01 0.00 0.00 39.48 39.03 1jke n PHE 93 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 1jke n SER 94 N -0.00 2.98 0.00 4.37 3.41 -1.26 -4.49 113.62 118.62 1jke n SER 94 Ca 0.45 -3.31 0.00 0.00 -0.26 0.00 0.00 58.87 55.75 1jke n SER 94 Cb 0.27 -0.54 0.00 0.00 -0.26 0.00 0.00 64.21 63.68 1jke n SER 94 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1jke n LYS 95 N -0.94 0.71 -2.48 4.33 4.01 -1.26 -5.06 118.16 117.46 1jke n LYS 95 Ca 0.23 -0.37 -0.24 0.00 -0.51 0.00 0.00 58.31 57.42 1jke n LYS 95 Cb 0.86 -0.86 0.10 0.00 -0.51 0.00 0.00 35.03 34.62 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 -0.21 1.76 0.60 0.72 0.00 -1.26 -1.70 107.32 107.24 1jke s GLY 96 Ca 0.00 -1.54 0.01 0.00 0.00 0.00 0.00 44.72 43.19 1jke s GLY 96 CO 0.00 -1.00 0.85 0.00 0.00 0.00 0.00 173.10 172.94 1jke s ALA 97 N -3.18 3.84 0.70 3.20 0.00 -1.25 -4.03 121.76 121.03 1jke s ALA 97 Ca 0.65 -1.44 -0.15 0.00 0.00 0.00 0.00 51.96 51.02 1jke s ALA 97 Cb -0.06 -2.06 0.02 0.00 0.00 0.00 0.00 23.12 21.02 1jke s ALA 97 CO 0.44 -0.97 1.18 -1.54 0.00 0.00 0.00 175.76 174.88 1jke s SER 98 N -4.52 4.55 0.27 0.00 1.04 -1.26 -4.66 113.70 109.11 1jke s SER 98 Ca 0.60 2.26 -0.01 0.00 0.48 0.00 0.00 55.95 59.28 1jke s SER 98 Cb -0.09 -2.58 0.59 0.00 0.10 0.00 0.00 66.02 64.04 1jke s SER 98 CO 0.40 -2.02 1.69 -0.65 0.98 0.00 0.00 173.24 173.64 1jke h PRO 99 N -0.08 0.31 -0.57 4.02 0.11 -1.98 0.12 132.00 133.92 1jke h PRO 99 Ca -0.48 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.60 1jke h PRO 99 Cb 1.28 -0.07 -0.03 0.00 0.11 0.00 0.00 31.00 32.29 1jke h PRO 99 CO 0.51 0.21 0.31 0.38 -0.21 0.00 0.00 178.00 179.21 1jke h ASP 100 N 0.32 0.71 -0.19 -2.05 2.03 -2.00 -1.47 116.42 113.78 1jke h ASP 100 Ca 0.48 -0.09 -0.18 0.00 -0.73 0.00 0.00 57.03 56.51 1jke h ASP 100 Cb 0.87 -0.18 -0.00 0.00 -0.83 0.00 0.00 39.33 39.19 1jke h ASP 100 CO -0.53 0.60 -0.54 0.03 -1.03 0.00 0.00 179.24 177.77 1jke h ARG 101 N 0.77 0.78 -0.34 4.15 3.08 -1.62 -1.96 114.38 119.24 1jke h ARG 101 Ca 0.20 -0.49 0.01 0.00 0.07 0.00 0.00 59.98 59.77 1jke h ARG 101 Cb 0.04 0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.13 1jke h ARG 101 CO -0.03 1.12 0.21 0.00 -1.07 0.00 0.00 179.97 180.20 1jke h ALA 102 N 0.78 0.43 -0.30 0.04 0.00 -0.60 0.64 119.26 120.25 1jke h ALA 102 Ca 0.01 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 1jke h ALA 102 Cb 1.13 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 1jke h ALA 102 CO 0.12 -0.13 0.06 1.49 0.00 0.00 0.00 179.25 180.79 1jke h GLU 103 N 0.44 0.48 -0.50 0.00 4.81 -1.25 -0.54 114.58 118.01 1jke h GLU 103 Ca 0.13 -0.12 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 1jke h GLU 103 Cb -0.02 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.27 1jke h GLU 103 CO -0.05 0.57 0.33 0.00 -0.73 0.00 0.00 179.01 179.13 1jke h ALA 104 N 0.89 0.64 -0.05 2.92 0.00 -1.08 -0.79 119.26 121.80 1jke h ALA 104 Ca 0.09 -0.04 -0.21 0.00 0.00 0.00 0.00 54.91 54.75 1jke h ALA 104 Cb 0.31 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 1jke h ALA 104 CO 0.00 0.09 -0.83 -0.07 0.00 0.00 0.00 179.25 178.45 1jke h LEU 105 N 0.68 0.54 -0.31 0.00 3.38 -0.80 -0.80 115.31 118.00 1jke h LEU 105 Ca 0.18 -0.39 -0.02 0.00 0.09 0.00 0.00 57.88 57.75 1jke h LEU 105 Cb -0.06 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.51 1jke h LEU 105 CO -0.04 1.16 0.12 0.22 0.09 0.00 0.00 178.44 179.99 1jke h TYR 106 N 0.28 0.47 -0.39 1.13 3.20 -0.99 -1.44 116.97 119.23 1jke h TYR 106 Ca -0.05 -0.04 -0.07 0.00 3.14 0.00 0.00 58.73 61.71 1jke h TYR 106 Cb 1.43 -0.14 -0.02 0.00 1.54 0.00 0.00 36.73 39.54 1jke h TYR 106 CO 0.05 0.46 -0.07 0.22 -1.64 0.00 0.00 178.16 177.19 1jke h ASP 107 N 0.34 0.63 -0.64 -2.11 1.82 -1.08 -2.18 116.42 113.21 1jke h ASP 107 Ca 0.10 -0.16 -0.03 0.00 -0.39 0.00 0.00 57.03 56.55 1jke h ASP 107 Cb 0.19 -0.17 -0.03 0.00 0.68 0.00 0.00 39.33 40.00 1jke h ASP 107 CO -0.01 0.75 0.30 0.22 -1.61 0.00 0.00 179.24 178.89 1jke h TYR 108 N 0.61 0.93 -0.55 0.28 3.20 -0.89 -0.73 116.97 119.82 1jke h TYR 108 Ca 0.12 -0.05 0.03 0.00 3.14 0.00 0.00 58.73 61.96 1jke h TYR 108 Cb 0.48 -0.29 -0.04 0.00 1.54 0.00 0.00 36.73 38.43 1jke h TYR 108 CO 0.02 0.71 0.33 0.35 -1.64 0.00 0.00 178.16 177.93 1jke h PHE 109 N 0.88 0.61 -0.46 -3.82 3.57 -0.82 -0.90 116.94 116.00 1jke h PHE 109 Ca 0.22 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.74 1jke h PHE 109 Cb 0.14 -0.20 -0.02 0.00 2.79 0.00 0.00 35.95 38.66 1jke h PHE 109 CO 0.00 0.35 0.29 0.28 -2.23 0.00 0.00 178.31 177.00 1jke h VAL 110 N 0.65 1.13 -0.17 1.41 2.07 -0.86 -1.14 116.25 119.34 1jke h VAL 110 Ca 0.22 -0.26 -0.09 0.00 0.82 0.00 0.00 66.70 67.40 1jke h VAL 110 Cb 0.03 0.48 -0.01 0.00 -1.52 0.00 0.00 31.29 30.27 1jke h VAL 110 CO -0.10 0.13 -0.29 -0.33 0.02 0.00 0.00 177.57 177.00 1jke h GLU 111 N 0.61 0.32 -0.18 1.57 4.39 -0.64 -0.51 114.58 120.14 1jke h GLU 111 Ca 0.17 -0.12 -0.14 0.00 0.34 0.00 0.00 59.36 59.61 1jke h GLU 111 Cb -0.04 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.58 1jke h GLU 111 CO -0.03 0.58 -0.48 0.00 -1.16 0.00 0.00 179.01 177.92 1jke h ARG 112 N 0.28 0.47 -0.25 2.33 2.47 -0.90 -2.35 114.38 116.43 1jke h ARG 112 Ca 0.04 -0.26 -0.01 0.00 -1.26 0.00 0.00 59.98 58.48 1jke h ARG 112 Cb 0.66 0.02 -0.01 0.00 -1.65 0.00 0.00 29.97 28.98 1jke h ARG 112 CO 0.05 0.85 0.10 0.00 0.56 0.00 0.00 179.97 181.53 1jke h ARG 114 N 0.25 1.05 -0.72 0.00 3.08 -0.93 1.41 114.38 118.51 1jke h ARG 114 Ca 0.08 -0.06 -0.07 0.00 0.07 0.00 0.00 59.98 60.00 1jke h ARG 114 Cb 0.17 -0.24 -0.03 0.00 0.08 0.00 0.00 29.97 29.96 1jke h ARG 114 CO -0.01 0.69 0.18 1.96 -1.07 0.00 0.00 179.97 181.73 1jke h GLN 115 N 1.08 1.15 0.06 0.04 4.20 -1.07 -3.32 115.11 117.25 1jke h GLN 115 Ca 0.43 -0.27 -0.23 0.00 0.06 0.00 0.00 58.65 58.63 1jke h GLN 115 Cb 0.25 -0.15 -0.02 0.00 0.30 0.00 0.00 27.48 27.86 1jke h GLN 115 CO -0.18 1.00 -1.24 1.96 -0.67 0.00 0.00 178.83 179.70 1jke h GLN 116 N 1.09 0.12 -4.56 1.46 4.20 -0.67 -3.44 115.11 113.32 1jke h GLN 116 Ca 0.23 -0.21 -0.70 0.00 0.06 0.00 0.00 58.65 58.02 1jke h GLN 116 Cb 0.36 0.08 -0.30 0.00 0.30 0.00 0.00 27.48 27.92 1jke h GLN 116 CO 0.00 1.10 -0.56 -2.00 -0.67 0.00 0.00 178.83 176.71 1jke s GLU 117 N -2.41 2.44 0.62 1.46 2.56 0.47 -4.97 118.70 118.87 1jke s GLU 117 Ca -0.23 -1.45 0.31 0.00 0.00 0.00 0.00 54.97 53.60 1jke s GLU 117 Cb 0.04 -3.56 1.71 0.00 2.00 0.00 0.00 34.13 34.32 1jke s GLU 117 CO 0.69 -0.86 1.95 0.52 -0.56 0.00 0.00 175.26 177.00 1jke h MET 118 N 8.21 0.00 -2.55 4.30 2.86 -1.79 -3.23 114.93 122.73 1jke h MET 118 Ca -0.20 0.00 -0.66 0.00 -2.06 0.00 0.00 59.70 56.78 1jke h MET 118 Cb 1.07 0.00 -0.38 0.00 0.06 0.00 0.00 31.60 32.35 1jke h MET 118 CO 0.67 0.00 -0.25 0.09 1.06 0.00 0.00 176.91 178.48 1jke n ASN 119 N -2.82 4.31 -4.38 1.22 5.03 -1.26 -5.04 115.26 112.32 1jke n ASN 119 Ca -0.02 -3.38 -0.33 0.00 0.87 0.00 0.00 54.58 51.72 1jke n ASN 119 Cb 0.29 -0.85 -0.14 0.00 -1.02 0.00 0.00 39.78 38.06 1jke n ASN 119 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 1jke s THR 120 N -2.33 2.93 0.27 3.41 2.01 -1.22 -1.43 115.64 119.28 1jke s THR 120 Ca 0.35 -0.72 0.07 0.00 0.31 0.00 0.00 61.69 61.70 1jke s THR 120 Cb 0.09 -2.20 -0.06 0.00 0.01 0.00 0.00 72.50 70.34 1jke s THR 120 CO -0.01 0.55 -0.07 -1.10 -0.69 0.00 0.00 174.62 173.29 1jke s GLN 121 N 0.06 1.51 0.26 4.92 -1.52 0.25 -4.99 119.66 120.14 1jke s GLN 121 Ca -0.06 -1.75 0.00 0.00 -1.95 0.00 0.00 55.36 51.61 1jke s GLN 121 Cb -0.15 -1.11 -0.03 0.00 -0.22 0.00 0.00 33.01 31.50 1jke s GLN 121 CO 0.05 0.05 0.25 0.95 -0.25 0.00 0.00 175.29 176.34 1jke s THR 122 N -3.03 0.00 0.00 -0.19 -4.23 -1.26 -0.92 115.64 106.01 1jke s THR 122 Ca 0.28 -1.89 0.00 0.00 -1.18 0.00 0.00 61.69 58.90 1jke s THR 122 Cb 0.03 -2.49 0.00 0.00 1.34 0.00 0.00 72.50 71.38 1jke s THR 122 CO 0.11 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.80 1jke n GLY 123 N -0.43 1.73 2.88 3.99 0.00 -0.30 -2.91 105.19 110.15 1jke n GLY 123 Ca 0.03 -1.90 -0.27 0.00 0.00 0.00 0.00 46.02 43.88 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 3.22 1.38 0.06 1.61 3.52 -1.26 -4.92 118.95 122.57 1jke s ARG 124 Ca 0.00 -0.35 -0.36 0.00 -0.13 0.00 0.00 55.73 54.88 1jke s ARG 124 Cb 0.00 -1.75 -0.16 0.00 -1.56 0.00 0.00 34.95 31.48 1jke s ARG 124 CO 0.00 -0.36 1.46 0.34 -0.81 0.00 0.00 175.30 175.93 1jke n PHE 125 N 4.93 1.78 -0.87 5.12 7.35 -1.26 -1.63 117.46 132.87 1jke n PHE 125 Ca -0.12 0.51 0.00 0.00 -0.76 0.00 0.00 57.45 57.09 1jke n PHE 125 Cb 0.49 -2.41 0.00 0.00 0.35 0.00 0.00 39.48 37.91 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 3.17 0.00 -2.28 3.13 0.00 -1.26 -5.01 120.51 118.26 1jke n ALA 126 Ca 0.19 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.36 1jke n ALA 126 Cb 0.21 -0.59 -0.00 0.00 0.00 0.00 0.00 19.45 19.07 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 -2.08 3.41 -0.67 0.00 0.00 -0.65 -5.00 121.76 116.76 1jke s ALA 127 Ca 0.00 -0.51 -0.25 0.00 0.00 0.00 0.00 51.96 51.20 1jke s ALA 127 Cb 0.00 -2.58 0.04 0.00 0.00 0.00 0.00 23.12 20.59 1jke s ALA 127 CO 0.00 -0.34 1.13 0.34 0.00 0.00 0.00 175.76 176.89 1jke s ASP 128 N -4.09 6.21 -0.00 0.00 -1.08 -1.26 -4.96 116.67 111.48 1jke s ASP 128 Ca 0.47 -0.56 0.02 0.00 -0.52 0.00 0.00 52.55 51.96 1jke s ASP 128 Cb -0.10 -2.50 -0.04 0.00 -1.46 0.00 0.00 42.92 38.82 1jke s ASP 128 CO 0.45 -1.60 -0.02 -0.04 0.52 0.00 0.00 175.17 174.47 1jke s MET 129 N 4.89 2.71 -0.29 4.34 -1.94 -1.26 -4.44 119.30 123.31 1jke s MET 129 Ca 0.31 -0.64 -0.06 0.00 -1.71 0.00 0.00 55.69 53.58 1jke s MET 129 Cb -0.11 -2.61 0.01 0.00 2.01 0.00 0.00 34.83 34.12 1jke s MET 129 CO 0.15 0.62 0.06 -0.65 -0.01 0.00 0.00 175.02 175.19 1jke s GLN 130 N -1.49 3.09 -0.41 2.03 -1.52 -0.35 -4.96 119.66 116.05 1jke s GLN 130 Ca 0.18 -0.85 -0.11 0.00 -1.95 0.00 0.00 55.36 52.64 1jke s GLN 130 Cb -0.11 -3.32 0.06 0.00 -0.22 0.00 0.00 33.01 29.42 1jke s GLN 130 CO 0.09 -0.42 0.26 0.08 -0.25 0.00 0.00 175.29 175.05 1jke s VAL 131 N 1.48 4.48 -0.05 1.09 1.01 -1.26 -1.54 120.40 125.61 1jke s VAL 131 Ca 0.03 -1.16 -0.16 0.00 0.00 0.00 0.00 61.98 60.69 1jke s VAL 131 Cb -0.17 -3.64 -0.05 0.00 0.00 0.00 0.00 36.38 32.51 1jke s VAL 131 CO 0.02 -0.42 0.42 -0.55 0.00 0.00 0.00 175.10 174.57 1jke s SER 132 N 1.97 6.73 0.22 3.32 0.15 0.38 -4.94 113.70 121.53 1jke s SER 132 Ca 0.03 0.87 -0.21 0.00 0.70 0.00 0.00 55.95 57.34 1jke s SER 132 Cb -0.22 -2.25 0.04 0.00 -1.71 0.00 0.00 66.02 61.87 1jke s SER 132 CO 0.04 0.20 0.63 -1.48 1.20 0.00 0.00 173.24 173.84 1jke s LEU 133 N -0.39 -0.27 -0.24 3.45 2.34 -1.26 -0.24 118.68 122.06 1jke s LEU 133 Ca 0.24 -0.40 0.00 0.00 0.06 0.00 0.00 54.13 54.03 1jke s LEU 133 Cb -0.16 2.54 0.06 0.00 -0.56 0.00 0.00 46.19 48.08 1jke s LEU 133 CO 0.11 -1.16 -0.02 -0.69 -1.06 0.00 0.00 176.35 173.53 1jke s VAL 134 N -3.86 1.33 -0.32 1.48 1.01 -0.73 -4.99 120.40 114.32 1jke s VAL 134 Ca 0.08 -1.15 -0.26 0.00 0.00 0.00 0.00 61.98 60.65 1jke s VAL 134 Cb -0.03 -1.68 0.01 0.00 0.00 0.00 0.00 36.38 34.68 1jke s VAL 134 CO -0.01 -0.18 0.91 0.21 0.00 0.00 0.00 175.10 176.03 1jke s ASN 135 N 1.48 6.77 -0.56 3.32 3.84 -1.26 -1.72 114.94 126.81 1jke s ASN 135 Ca -0.03 0.80 -0.23 0.00 0.21 0.00 0.00 52.86 53.61 1jke s ASN 135 Cb -0.18 -2.47 0.05 0.00 -0.55 0.00 0.00 41.25 38.10 1jke s ASN 135 CO -0.08 -0.74 0.86 -0.62 -2.79 0.00 0.00 177.10 173.73 1jke s ASP 136 N 1.65 6.28 0.00 -4.21 2.15 0.13 -4.42 116.67 118.25 1jke s ASP 136 Ca 0.38 -0.61 0.00 0.00 0.43 0.00 0.00 52.55 52.75 1jke s ASP 136 Cb -0.13 -2.39 0.00 0.00 -0.30 0.00 0.00 42.92 40.09 1jke s ASP 136 CO 0.14 -1.18 0.00 0.61 -0.17 0.00 0.00 175.17 174.58 1jke n GLY 137 N 5.17 1.31 3.86 2.66 0.00 -1.26 -3.62 105.19 113.30 1jke n GLY 137 Ca -0.01 -0.18 -0.31 0.00 0.00 0.00 0.00 46.02 45.52 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 3.26 -0.08 1.61 0.04 -1.26 -5.17 135.00 133.39 1jke s PRO 138 Ca 0.00 0.72 -0.01 0.00 0.04 0.00 0.00 61.00 61.75 1jke s PRO 138 Cb 0.00 -2.04 0.03 0.00 0.04 0.00 0.00 34.50 32.52 1jke s PRO 138 CO 0.00 -0.81 -0.04 0.08 0.04 0.00 0.00 177.00 176.27 1jke s VAL 139 N -3.19 0.67 -0.06 -0.36 1.01 -1.24 -5.07 120.40 112.16 1jke s VAL 139 Ca 0.56 -0.08 -0.02 0.00 0.00 0.00 0.00 61.98 62.44 1jke s VAL 139 Cb -0.12 -0.75 0.04 0.00 0.00 0.00 0.00 36.38 35.55 1jke s VAL 139 CO 0.54 0.30 0.13 -0.89 0.00 0.00 0.00 175.10 175.17 1jke s THR 140 N 1.71 -0.10 0.03 3.92 2.01 -1.26 -1.62 115.64 120.32 1jke s THR 140 Ca 0.02 0.24 0.04 0.00 0.31 0.00 0.00 61.69 62.31 1jke s THR 140 Cb -0.13 -0.22 -0.02 0.00 0.01 0.00 0.00 72.50 72.14 1jke s THR 140 CO -0.05 0.10 -0.12 -0.36 -0.69 0.00 0.00 174.62 173.49 1jke s PHE 141 N 1.47 1.08 -0.34 4.92 0.40 -0.35 -4.99 117.98 120.17 1jke s PHE 141 Ca -0.06 -0.32 -0.12 0.00 -0.60 0.00 0.00 56.93 55.83 1jke s PHE 141 Cb -0.12 -0.66 -0.01 0.00 0.51 0.00 0.00 43.02 42.75 1jke s PHE 141 CO -0.05 0.01 0.23 -0.46 0.70 0.00 0.00 175.22 175.64 1jke s TRP 142 N -0.74 3.22 -0.03 0.36 -0.11 -1.26 -0.65 118.94 119.73 1jke s TRP 142 Ca 0.01 -0.38 0.04 0.00 1.22 0.00 0.00 56.10 56.99 1jke s TRP 142 Cb -0.07 -2.46 -0.03 0.00 -1.50 0.00 0.00 33.47 29.41 1jke s TRP 142 CO 0.01 -0.42 -0.12 -0.51 -4.62 0.00 0.00 176.95 171.28 1jke s LEU 143 N 1.68 2.85 -0.06 5.86 1.43 0.27 -4.99 118.68 125.72 1jke s LEU 143 Ca 0.05 -0.19 -0.15 0.00 -1.03 0.00 0.00 54.13 52.81 1jke s LEU 143 Cb -0.18 -1.61 0.03 0.00 0.03 0.00 0.00 46.19 44.46 1jke s LEU 143 CO 0.09 0.33 0.36 -1.58 0.23 0.00 0.00 176.35 175.78 1jke s GLN 144 N -0.94 0.62 0.00 1.70 0.74 -1.26 -0.28 119.66 120.23 1jke s GLN 144 Ca 0.13 0.09 0.00 0.00 0.05 0.00 0.00 55.36 55.62 1jke s GLN 144 Cb -0.11 0.28 0.00 0.00 1.10 0.00 0.00 33.01 34.29 1jke s GLN 144 CO 0.02 -0.15 0.26 0.28 -0.55 0.00 0.00 175.29 175.16