#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ju5 n TRP 13 N 0.00 0.64 -2.68 0.66 4.27 -1.26 -4.31 117.44 114.75 1ju5 n TRP 13 Ca 0.00 0.19 -0.42 0.00 -3.89 0.00 0.00 57.50 53.38 1ju5 n TRP 13 Cb 0.00 -0.76 -0.03 0.00 -1.36 0.00 0.00 31.31 29.16 1ju5 n TRP 13 CO 0.00 0.00 0.00 -0.47 -2.29 0.00 0.00 177.69 174.93 1ju5 s TYR 14 N -3.35 2.56 -0.41 -2.67 5.04 -1.26 -2.14 117.35 115.12 1ju5 s TYR 14 Ca -0.01 -0.57 -0.14 0.00 -2.44 0.00 0.00 57.07 53.91 1ju5 s TYR 14 Cb 0.11 -4.51 0.02 0.00 0.35 0.00 0.00 41.96 37.93 1ju5 s TYR 14 CO 0.81 -1.85 0.29 -1.58 -1.34 0.00 0.00 175.55 171.88 1ju5 s TRP 15 N 4.68 3.24 -0.16 4.97 0.52 -1.01 -5.02 118.94 126.17 1ju5 s TRP 15 Ca 0.34 -0.64 -0.10 0.00 0.02 0.00 0.00 56.10 55.72 1ju5 s TRP 15 Cb -0.08 -2.57 -0.05 0.00 -1.15 0.00 0.00 33.47 29.63 1ju5 s TRP 15 CO 0.04 -0.60 0.19 0.20 0.02 0.00 0.00 176.95 176.80 1ju5 s GLY 16 N 1.66 2.14 -0.62 0.98 0.00 -1.26 -4.06 107.32 106.16 1ju5 s GLY 16 Ca 0.05 -0.59 0.00 0.00 0.00 0.00 0.00 44.72 44.17 1ju5 s GLY 16 CO 0.10 0.09 0.00 0.54 0.00 0.00 0.00 173.10 173.83 1ju5 n ARG 17 N 3.07 -0.50 -2.70 2.90 5.12 -1.26 -4.99 116.66 118.31 1ju5 n ARG 17 Ca -0.16 0.48 -0.43 0.00 -1.93 0.00 0.00 57.85 55.82 1ju5 n ARG 17 Cb 0.53 -4.31 -0.03 0.00 -1.16 0.00 0.00 32.46 27.49 1ju5 n ARG 17 CO 0.00 0.00 0.00 -1.17 -1.93 0.00 0.00 177.63 174.53 1ju5 s LEU 18 N -1.73 3.92 0.47 0.55 2.96 -1.26 -5.02 118.68 118.57 1ju5 s LEU 18 Ca 0.00 0.82 -0.23 0.00 -0.22 0.00 0.00 54.13 54.50 1ju5 s LEU 18 Cb 0.00 -3.44 -0.07 0.00 0.50 0.00 0.00 46.19 43.19 1ju5 s LEU 18 CO 0.00 -0.91 1.20 -0.55 -1.32 0.00 0.00 176.35 174.77 1ju5 s SER 19 N 1.82 6.02 0.13 3.68 0.15 -1.26 -4.55 113.70 119.69 1ju5 s SER 19 Ca 0.43 2.39 -0.21 0.00 0.70 0.00 0.00 55.95 59.26 1ju5 s SER 19 Cb -0.12 -2.61 -0.02 0.00 -1.71 0.00 0.00 66.02 61.57 1ju5 s SER 19 CO 0.18 -1.03 1.68 0.03 1.20 0.00 0.00 173.24 175.31 1ju5 h ARG 20 N 1.96 -0.09 -0.47 5.44 3.08 -1.95 -0.58 114.38 121.77 1ju5 h ARG 20 Ca -0.50 0.01 0.09 0.00 0.07 0.00 0.00 59.98 59.65 1ju5 h ARG 20 Cb 1.26 0.02 -0.03 0.00 0.08 0.00 0.00 29.97 31.30 1ju5 h ARG 20 CO 0.60 -0.06 0.32 0.37 -1.07 0.00 0.00 179.97 180.13 1ju5 h GLN 21 N -0.09 0.24 0.12 0.04 5.75 -2.00 -2.27 115.11 116.89 1ju5 h GLN 21 Ca 0.10 -0.01 -0.01 0.00 -0.15 0.00 0.00 58.65 58.58 1ju5 h GLN 21 Cb 0.25 -0.05 0.00 0.00 1.07 0.00 0.00 27.48 28.74 1ju5 h GLN 21 CO -0.24 0.16 -0.06 0.93 -2.65 0.00 0.00 178.83 176.97 1ju5 h GLU 22 N 0.24 -0.16 -0.20 1.69 4.39 -1.53 -2.14 114.58 116.87 1ju5 h GLU 22 Ca 0.22 0.01 0.05 0.00 0.34 0.00 0.00 59.36 59.98 1ju5 h GLU 22 Cb 0.54 0.04 -0.07 0.00 -0.10 0.00 0.00 28.75 29.15 1ju5 h GLU 22 CO -0.04 0.27 -0.38 0.00 -1.16 0.00 0.00 179.01 177.69 1ju5 h ALA 23 N 0.10 -0.46 -0.55 3.43 0.00 -0.66 -0.05 119.26 121.07 1ju5 h ALA 23 Ca -0.02 0.02 0.06 0.00 0.00 0.00 0.00 54.91 54.98 1ju5 h ALA 23 Cb 0.50 0.75 -0.05 0.00 0.00 0.00 0.00 17.79 18.98 1ju5 h ALA 23 CO 0.03 -0.86 0.26 0.28 0.00 0.00 0.00 179.25 178.95 1ju5 h VAL 24 N -0.42 0.90 0.00 0.00 2.07 -1.52 0.21 116.25 117.48 1ju5 h VAL 24 Ca 0.10 -0.17 -0.00 0.00 0.82 0.00 0.00 66.70 67.45 1ju5 h VAL 24 Cb 0.59 0.37 -0.00 0.00 -1.52 0.00 0.00 31.29 30.73 1ju5 h VAL 24 CO -0.43 0.09 -0.01 0.00 0.02 0.00 0.00 177.57 177.24 1ju5 h ALA 25 N 1.33 1.12 0.07 1.67 0.00 -0.59 1.07 119.26 123.92 1ju5 h ALA 25 Ca 0.26 -0.01 -0.34 0.00 0.00 0.00 0.00 54.91 54.82 1ju5 h ALA 25 Cb 0.22 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 1ju5 h ALA 25 CO -0.21 0.01 -1.89 1.28 0.00 0.00 0.00 179.25 178.44 1ju5 n LEU 26 N -3.26 2.42 0.17 0.00 4.77 -0.02 -4.26 117.00 116.82 1ju5 n LEU 26 Ca -0.03 0.24 0.06 0.00 -0.03 0.00 0.00 56.01 56.25 1ju5 n LEU 26 Cb 0.10 -1.03 0.12 0.00 -2.33 0.00 0.00 43.42 40.28 1ju5 n LEU 26 CO 0.23 0.69 0.60 -0.07 -1.33 0.00 0.00 177.39 177.51 1ju5 h LEU 27 N -0.31 0.00 -9.13 2.23 4.07 -0.35 -3.43 115.31 108.39 1ju5 h LEU 27 Ca -0.44 0.00 -0.70 0.00 0.08 0.00 0.00 57.88 56.82 1ju5 h LEU 27 Cb 1.79 0.00 0.01 0.00 1.08 0.00 0.00 40.66 43.54 1ju5 h LEU 27 CO -0.05 0.33 1.01 1.67 -1.08 0.00 0.00 178.44 180.32 1ju5 n GLN 28 N -3.21 1.45 -1.00 1.13 -0.06 0.37 0.82 117.38 116.88 1ju5 n GLN 28 Ca 0.02 0.52 -0.00 0.00 -2.00 0.00 0.00 57.00 55.55 1ju5 n GLN 28 Cb 0.64 -2.29 -0.00 0.00 -4.06 0.00 0.00 30.24 24.53 1ju5 n GLN 28 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1ju5 n GLY 29 N 4.47 0.45 3.71 1.69 0.00 -1.26 -4.99 105.19 109.26 1ju5 n GLY 29 Ca 0.27 -0.02 -0.38 0.00 0.00 0.00 0.00 46.02 45.88 1ju5 n GLY 29 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ju5 s GLN 30 N -0.27 4.35 1.02 1.61 -1.52 0.24 -5.05 119.66 120.04 1ju5 s GLN 30 Ca 0.00 0.55 -0.17 0.00 -1.95 0.00 0.00 55.36 53.79 1ju5 s GLN 30 Cb 0.00 -3.46 0.01 0.00 -0.22 0.00 0.00 33.01 29.35 1ju5 s GLN 30 CO 0.00 0.09 -0.11 -2.13 -0.25 0.00 0.00 175.29 172.89 1ju5 n ARG 31 N 3.85 -0.69 -2.22 2.91 0.00 -1.26 -4.82 116.66 114.43 1ju5 n ARG 31 Ca -0.05 -0.18 -0.36 0.00 -0.00 0.00 0.00 57.85 57.26 1ju5 n ARG 31 Cb 0.51 -1.59 0.00 0.00 0.00 0.00 0.00 32.46 31.38 1ju5 n ARG 31 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.63 176.62 1ju5 s HIS 32 N -2.24 2.73 0.00 -0.14 3.76 -1.26 -3.71 115.29 114.43 1ju5 s HIS 32 Ca 0.52 1.53 0.00 0.00 -0.15 0.00 0.00 55.06 56.96 1ju5 s HIS 32 Cb -0.14 -3.37 0.00 0.00 1.11 0.00 0.00 32.58 30.18 1ju5 s HIS 32 CO 0.69 -1.64 0.00 0.41 -0.85 0.00 0.00 174.74 173.35 1ju5 n GLY 33 N 0.34 2.54 3.68 -2.22 0.00 -1.26 -4.74 105.19 103.53 1ju5 n GLY 33 Ca 0.10 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.69 1ju5 n GLY 33 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ju5 s VAL 34 N -2.42 4.75 0.07 1.61 0.11 -1.24 -0.85 120.40 122.43 1ju5 s VAL 34 Ca 0.00 2.04 -0.09 0.00 -2.93 0.00 0.00 61.98 60.99 1ju5 s VAL 34 Cb 0.00 -4.31 0.00 0.00 -1.53 0.00 0.00 36.38 30.54 1ju5 s VAL 34 CO 0.00 -0.05 0.20 0.72 -3.33 0.00 0.00 175.10 172.64 1ju5 s PHE 35 N 2.37 0.10 -0.11 1.54 -0.12 -1.17 -2.13 117.98 118.46 1ju5 s PHE 35 Ca 0.47 -0.44 -0.30 0.00 -0.05 0.00 0.00 56.93 56.60 1ju5 s PHE 35 Cb -0.17 -0.04 0.10 0.00 -0.63 0.00 0.00 43.02 42.29 1ju5 s PHE 35 CO 0.14 -0.51 0.87 -0.48 -0.05 0.00 0.00 175.22 175.19 1ju5 s LEU 36 N -2.56 -0.48 0.16 -1.99 0.05 -0.74 -2.84 118.68 110.28 1ju5 s LEU 36 Ca 0.01 0.50 -0.11 0.00 0.05 0.00 0.00 54.13 54.58 1ju5 s LEU 36 Cb 0.03 2.13 -0.07 0.00 -2.05 0.00 0.00 46.19 46.23 1ju5 s LEU 36 CO -0.08 -0.46 0.51 0.54 -0.55 0.00 0.00 176.35 176.31 1ju5 s VAL 37 N -1.26 4.94 -0.06 1.48 0.11 -0.91 -0.58 120.40 124.13 1ju5 s VAL 37 Ca -0.05 0.59 -0.18 0.00 -2.93 0.00 0.00 61.98 59.40 1ju5 s VAL 37 Cb -0.00 -3.67 0.04 0.00 -1.53 0.00 0.00 36.38 31.22 1ju5 s VAL 37 CO 0.04 0.13 0.42 0.00 -3.33 0.00 0.00 175.10 172.37 1ju5 s ARG 38 N -2.29 0.72 0.09 1.54 1.70 -0.61 -2.41 118.95 117.69 1ju5 s ARG 38 Ca 0.40 0.11 -0.31 0.00 -0.47 0.00 0.00 55.73 55.47 1ju5 s ARG 38 Cb -0.13 0.33 -0.07 0.00 -0.57 0.00 0.00 34.95 34.51 1ju5 s ARG 38 CO 0.20 -0.18 1.33 0.34 -1.08 0.00 0.00 175.30 175.91 1ju5 s ASP 39 N -0.90 6.90 0.66 -2.89 2.15 -1.26 -0.13 116.67 121.21 1ju5 s ASP 39 Ca -0.10 2.21 -0.17 0.00 0.43 0.00 0.00 52.55 54.93 1ju5 s ASP 39 Cb -0.04 -2.58 0.00 0.00 -0.30 0.00 0.00 42.92 40.01 1ju5 s ASP 39 CO 0.05 -0.61 1.21 -0.55 -0.17 0.00 0.00 175.17 175.10 1ju5 s SER 40 N 1.17 4.69 -0.17 -0.34 0.15 0.22 -4.77 113.70 114.64 1ju5 s SER 40 Ca 0.63 2.36 -0.25 0.00 0.70 0.00 0.00 55.95 59.39 1ju5 s SER 40 Cb -0.34 -2.59 -0.22 0.00 -1.71 0.00 0.00 66.02 61.15 1ju5 s SER 40 CO 0.29 -1.93 0.48 0.28 1.20 0.00 0.00 173.24 173.57 1ju5 h SER 41 N 0.26 0.00 -0.54 5.45 0.02 -1.94 -3.36 113.55 113.45 1ju5 h SER 41 Ca -0.49 -0.75 -0.15 0.00 -0.84 0.00 0.00 61.79 59.57 1ju5 h SER 41 Cb 1.30 0.00 -0.09 0.00 0.14 0.00 0.00 62.40 63.75 1ju5 h SER 41 CO 0.52 1.25 0.19 1.07 -1.14 0.00 0.00 176.83 178.72 1ju5 n THR 42 N -4.52 2.24 -3.41 -2.27 5.66 -1.26 -4.69 114.28 106.03 1ju5 n THR 42 Ca -0.21 -1.16 -0.19 0.00 -3.05 0.00 0.00 64.05 59.44 1ju5 n THR 42 Cb 0.58 -0.45 -0.10 0.00 -1.55 0.00 0.00 70.33 68.81 1ju5 n THR 42 CO 0.00 0.00 0.00 -0.44 -3.05 0.00 0.00 175.07 171.58 1ju5 s SER 43 N -0.60 1.78 0.27 1.09 0.01 -1.26 -5.14 113.70 109.86 1ju5 s SER 43 Ca 0.40 -1.01 -0.30 0.00 1.31 0.00 0.00 55.95 56.35 1ju5 s SER 43 Cb 0.32 0.41 -0.10 0.00 0.21 0.00 0.00 66.02 66.86 1ju5 s SER 43 CO 0.10 -0.37 1.37 -2.16 0.41 0.00 0.00 173.24 172.60 1ju5 s PRO 44 N 2.11 4.32 -1.59 12.44 0.04 -1.26 -2.84 135.00 148.21 1ju5 s PRO 44 Ca 0.11 2.23 -0.03 0.00 0.04 0.00 0.00 61.00 63.35 1ju5 s PRO 44 Cb -0.15 -3.11 0.00 0.00 0.04 0.00 0.00 34.50 31.29 1ju5 s PRO 44 CO -0.26 -0.31 0.43 0.41 0.04 0.00 0.00 177.00 177.30 1ju5 n GLY 45 N 1.72 -0.49 3.04 0.56 0.00 -1.26 -4.99 105.19 103.78 1ju5 n GLY 45 Ca 0.04 0.07 -0.24 0.00 0.00 0.00 0.00 46.02 45.89 1ju5 n GLY 45 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1ju5 s ASP 46 N -2.53 1.71 0.53 1.61 1.11 -1.13 -2.82 116.67 115.16 1ju5 s ASP 46 Ca 0.21 -0.28 0.00 0.00 0.18 0.00 0.00 52.55 52.66 1ju5 s ASP 46 Cb -0.09 -0.62 0.02 0.00 1.07 0.00 0.00 42.92 43.30 1ju5 s ASP 46 CO 0.26 0.07 0.77 -0.31 1.18 0.00 0.00 175.17 177.14 1ju5 s TYR 47 N 0.38 2.97 -0.06 4.23 2.02 0.21 -0.61 117.35 126.49 1ju5 s TYR 47 Ca -0.09 0.10 -0.04 0.00 -0.37 0.00 0.00 57.07 56.68 1ju5 s TYR 47 Cb -0.13 -2.66 0.02 0.00 -0.40 0.00 0.00 41.96 38.80 1ju5 s TYR 47 CO 0.02 -0.77 0.14 0.08 -1.57 0.00 0.00 175.55 173.45 1ju5 s VAL 48 N -2.74 -0.02 -0.40 0.71 1.01 0.81 0.16 120.40 119.92 1ju5 s VAL 48 Ca 0.55 0.08 -0.20 0.00 0.00 0.00 0.00 61.98 62.41 1ju5 s VAL 48 Cb -0.10 -0.21 0.01 0.00 0.00 0.00 0.00 36.38 36.08 1ju5 s VAL 48 CO 0.39 0.03 0.61 -0.76 0.00 0.00 0.00 175.10 175.37 1ju5 s LEU 49 N 0.58 4.42 -0.04 3.92 2.01 0.41 -1.57 118.68 128.40 1ju5 s LEU 49 Ca -0.04 -0.17 -0.14 0.00 0.01 0.00 0.00 54.13 53.80 1ju5 s LEU 49 Cb -0.06 -2.71 -0.05 0.00 0.01 0.00 0.00 46.19 43.38 1ju5 s LEU 49 CO -0.03 -0.67 0.36 -0.44 1.01 0.00 0.00 176.35 176.58 1ju5 s SER 50 N 1.90 6.70 -0.19 2.29 0.01 0.26 -1.53 113.70 123.14 1ju5 s SER 50 Ca 0.22 0.83 -0.07 0.00 1.31 0.00 0.00 55.95 58.25 1ju5 s SER 50 Cb -0.15 -2.22 0.08 0.00 0.21 0.00 0.00 66.02 63.95 1ju5 s SER 50 CO 0.17 0.29 0.40 0.68 0.41 0.00 0.00 173.24 175.19 1ju5 s VAL 51 N -0.80 -0.54 -0.78 3.43 -7.23 -0.83 -1.80 120.40 111.85 1ju5 s VAL 51 Ca 0.22 0.17 -0.26 0.00 -1.81 0.00 0.00 61.98 60.30 1ju5 s VAL 51 Cb -0.15 -0.63 0.02 0.00 0.56 0.00 0.00 36.38 36.18 1ju5 s VAL 51 CO 0.11 0.07 1.47 -0.55 -0.31 0.00 0.00 175.10 175.89 1ju5 s SER 52 N 2.42 5.99 0.03 4.85 0.15 -0.90 -1.06 113.70 125.18 1ju5 s SER 52 Ca -0.02 -0.52 0.00 0.00 0.70 0.00 0.00 55.95 56.11 1ju5 s SER 52 Cb -0.12 -2.56 0.00 0.00 -1.71 0.00 0.00 66.02 61.64 1ju5 s SER 52 CO -0.12 -1.94 0.00 1.21 1.20 0.00 0.00 173.24 173.59 1ju5 n GLU 53 N 9.21 0.95 -2.45 5.44 2.13 0.32 -4.33 120.64 131.92 1ju5 n GLU 53 Ca 0.15 0.00 -0.39 0.00 0.66 0.00 0.00 57.16 57.58 1ju5 n GLU 53 Cb 0.50 0.00 -0.02 0.00 0.27 0.00 0.00 31.44 32.19 1ju5 n GLU 53 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 1ju5 s ASN 54 N -1.25 6.36 0.00 4.31 4.22 -1.26 -3.62 114.94 123.70 1ju5 s ASN 54 Ca 0.00 -2.13 0.00 0.00 -2.14 0.00 0.00 52.86 48.59 1ju5 s ASN 54 Cb 0.00 -2.58 0.00 0.00 1.28 0.00 0.00 41.25 39.95 1ju5 s ASN 54 CO 0.00 -1.67 0.00 -1.20 -2.04 0.00 0.00 177.10 172.19 1ju5 n SER 55 N 9.92 -2.93 -3.69 3.54 7.64 -1.26 -5.02 113.62 121.82 1ju5 n SER 55 Ca 0.46 0.00 -0.10 0.00 1.01 0.00 0.00 58.87 60.24 1ju5 n SER 55 Cb 0.47 -0.49 -0.11 0.00 -1.01 0.00 0.00 64.21 63.07 1ju5 n SER 55 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ju5 s ARG 56 N -0.96 0.39 -0.37 1.43 1.70 -1.24 -5.00 118.95 114.90 1ju5 s ARG 56 Ca 0.00 0.84 -0.17 0.00 -0.47 0.00 0.00 55.73 55.93 1ju5 s ARG 56 Cb 0.00 0.04 0.00 0.00 -0.57 0.00 0.00 34.95 34.42 1ju5 s ARG 56 CO 0.00 -0.17 0.43 0.54 -1.08 0.00 0.00 175.30 175.02 1ju5 s VAL 57 N 1.61 5.09 0.48 4.99 0.11 -1.26 0.12 120.40 131.54 1ju5 s VAL 57 Ca -0.08 -0.01 -0.05 0.00 -2.93 0.00 0.00 61.98 58.91 1ju5 s VAL 57 Cb -0.09 -3.94 -0.03 0.00 -1.53 0.00 0.00 36.38 30.78 1ju5 s VAL 57 CO -0.13 -0.25 0.78 -0.55 -3.33 0.00 0.00 175.10 171.62 1ju5 s SER 58 N 1.78 6.23 -0.26 3.54 0.15 -0.22 -4.90 113.70 120.02 1ju5 s SER 58 Ca 0.14 0.89 -0.02 0.00 0.70 0.00 0.00 55.95 57.66 1ju5 s SER 58 Cb -0.16 -2.20 0.13 0.00 -1.71 0.00 0.00 66.02 62.07 1ju5 s SER 58 CO 0.13 -0.59 0.30 -1.38 1.20 0.00 0.00 173.24 172.90 1ju5 s HIS 59 N -2.73 -0.53 0.22 3.44 -3.43 -1.25 -1.96 115.29 109.05 1ju5 s HIS 59 Ca 0.47 0.18 -0.18 0.00 -0.80 0.00 0.00 55.06 54.73 1ju5 s HIS 59 Cb -0.10 -0.31 -0.08 0.00 -1.43 0.00 0.00 32.58 30.65 1ju5 s HIS 59 CO 0.44 -0.80 0.70 0.71 -2.00 0.00 0.00 174.74 173.79 1ju5 s TYR 60 N 2.40 3.61 0.01 0.38 2.02 -0.58 -4.83 117.35 120.36 1ju5 s TYR 60 Ca 0.09 1.32 -0.23 0.00 -0.37 0.00 0.00 57.07 57.88 1ju5 s TYR 60 Cb -0.15 -2.57 -0.05 0.00 -0.40 0.00 0.00 41.96 38.79 1ju5 s TYR 60 CO -0.24 0.32 0.70 -1.50 -1.57 0.00 0.00 175.55 173.27 1ju5 s ILE 61 N -1.57 4.84 0.07 2.71 2.07 -1.26 -0.44 121.20 127.62 1ju5 s ILE 61 Ca 0.43 1.48 0.05 0.00 -1.41 0.00 0.00 60.65 61.20 1ju5 s ILE 61 Cb -0.16 -4.05 -0.03 0.00 0.13 0.00 0.00 42.46 38.36 1ju5 s ILE 61 CO 0.20 0.36 -0.14 -0.63 -1.91 0.00 0.00 174.94 172.83 1ju5 s ILE 62 N 0.06 1.08 -0.09 2.00 1.09 0.41 -4.76 121.20 120.98 1ju5 s ILE 62 Ca 0.36 -1.30 -0.04 0.00 -1.10 0.00 0.00 60.65 58.57 1ju5 s ILE 62 Cb -0.19 -1.05 -0.04 0.00 -1.06 0.00 0.00 42.46 40.12 1ju5 s ILE 62 CO 0.20 -0.24 0.06 0.20 -0.10 0.00 0.00 174.94 175.06 1ju5 s ASN 63 N -1.75 5.69 -0.02 3.58 0.02 -1.12 0.66 114.94 122.00 1ju5 s ASN 63 Ca -0.02 0.27 -0.07 0.00 -1.02 0.00 0.00 52.86 52.02 1ju5 s ASN 63 Cb -0.10 -1.70 0.01 0.00 0.02 0.00 0.00 41.25 39.47 1ju5 s ASN 63 CO 0.02 0.39 0.15 -0.44 0.02 0.00 0.00 177.10 177.23 1ju5 s SER 64 N -0.98 -0.05 0.68 -1.22 0.01 -1.13 -3.64 113.70 107.37 1ju5 s SER 64 Ca 0.14 -0.00 -0.17 0.00 1.31 0.00 0.00 55.95 57.23 1ju5 s SER 64 Cb -0.12 0.25 0.00 0.00 0.21 0.00 0.00 66.02 66.37 1ju5 s SER 64 CO 0.03 -0.25 1.24 -1.54 0.41 0.00 0.00 173.24 173.13 1ju5 n SER 65 N 2.04 1.71 0.00 2.44 3.41 -1.25 -4.58 113.62 117.39 1ju5 n SER 65 Ca -0.19 0.78 0.00 0.00 -0.26 0.00 0.00 58.87 59.20 1ju5 n SER 65 Cb 0.57 -1.53 0.00 0.00 -0.26 0.00 0.00 64.21 62.99 1ju5 n SER 65 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ju5 n GLY 66 N 0.90 0.96 3.51 5.00 0.00 -1.26 -4.93 105.19 109.37 1ju5 n GLY 66 Ca 0.15 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.87 1ju5 n GLY 66 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1ju5 n PRO 67 N -0.23 -1.25 -0.04 1.61 -0.02 -1.26 -4.95 135.00 128.85 1ju5 n PRO 67 Ca 0.00 -0.32 -0.13 0.00 -2.02 0.00 0.00 63.50 61.03 1ju5 n PRO 67 Cb 0.00 -2.14 -0.08 0.00 -0.02 0.00 0.00 33.50 31.26 1ju5 n PRO 67 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1ju5 h ARG 68 N -2.14 0.28 -6.77 -0.52 2.47 -2.05 -3.44 114.38 102.21 1ju5 h ARG 68 Ca -0.51 -0.16 -0.55 0.00 -1.26 0.00 0.00 59.98 57.51 1ju5 h ARG 68 Cb 1.30 0.01 0.09 0.00 -1.65 0.00 0.00 29.97 29.73 1ju5 h ARG 68 CO 0.42 0.72 0.77 -2.30 0.56 0.00 0.00 179.97 180.14 1ju5 n PRO 69 N -4.60 2.50 -2.87 0.04 -0.02 -1.26 -4.96 135.00 123.82 1ju5 n PRO 69 Ca -0.07 0.88 -0.41 0.00 -2.02 0.00 0.00 63.50 61.89 1ju5 n PRO 69 Cb 0.36 -2.61 -0.04 0.00 -0.02 0.00 0.00 33.50 31.19 1ju5 n PRO 69 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1ju5 s PRO 70 N -0.89 4.46 0.06 0.52 0.04 -1.26 -5.00 135.00 132.93 1ju5 s PRO 70 Ca 0.62 1.14 -0.31 0.00 0.04 0.00 0.00 61.00 62.49 1ju5 s PRO 70 Cb -0.53 -3.48 -0.06 0.00 0.04 0.00 0.00 34.50 30.47 1ju5 s PRO 70 CO 0.53 -0.06 1.29 0.54 0.04 0.00 0.00 177.00 179.34 1ju5 s VAL 71 N 1.16 3.77 0.62 -0.36 0.11 -1.26 -5.02 120.40 119.42 1ju5 s VAL 71 Ca 0.44 1.24 -0.09 0.00 -2.93 0.00 0.00 61.98 60.64 1ju5 s VAL 71 Cb -0.19 -3.80 -0.00 0.00 -1.53 0.00 0.00 36.38 30.86 1ju5 s VAL 71 CO 0.21 0.07 0.98 -2.16 -3.33 0.00 0.00 175.10 170.88 1ju5 s PRO 72 N 1.36 3.10 0.81 1.54 0.04 -1.26 -4.66 135.00 135.94 1ju5 s PRO 72 Ca 0.61 0.33 -0.12 0.00 0.04 0.00 0.00 61.00 61.87 1ju5 s PRO 72 Cb -0.32 -2.16 0.08 0.00 0.04 0.00 0.00 34.50 32.15 1ju5 s PRO 72 CO 0.29 -0.74 1.16 -1.25 0.04 0.00 0.00 177.00 176.50 1ju5 s PRO 73 N -5.13 1.93 0.49 0.56 0.04 -1.26 -5.07 135.00 126.56 1ju5 s PRO 73 Ca 0.55 0.21 0.03 0.00 0.04 0.00 0.00 61.00 61.83 1ju5 s PRO 73 Cb -0.11 -1.94 0.02 0.00 0.04 0.00 0.00 34.50 32.52 1ju5 s PRO 73 CO 0.49 -1.64 0.69 -1.12 0.04 0.00 0.00 177.00 175.46 1ju5 s SER 74 N -4.42 5.48 1.02 6.66 0.01 -1.26 -5.07 113.70 116.11 1ju5 s SER 74 Ca 0.62 -0.10 -0.16 0.00 1.31 0.00 0.00 55.95 57.61 1ju5 s SER 74 Cb -0.12 -0.91 0.02 0.00 0.21 0.00 0.00 66.02 65.22 1ju5 s SER 74 CO 0.50 -0.95 -0.04 -2.65 0.41 0.00 0.00 173.24 170.51 1ju5 n PRO 75 N -2.14 -0.68 0.24 12.44 -0.02 -1.26 -4.78 135.00 138.79 1ju5 n PRO 75 Ca 0.07 -0.17 0.17 0.00 -2.02 0.00 0.00 63.50 61.55 1ju5 n PRO 75 Cb 0.59 -1.63 0.79 0.00 -0.02 0.00 0.00 33.50 33.23 1ju5 n PRO 75 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1ju5 h ALA 76 N -1.62 1.66 -2.15 3.55 0.00 -2.06 -3.42 119.26 115.20 1ju5 h ALA 76 Ca -0.47 -0.01 -0.43 0.00 0.00 0.00 0.00 54.91 54.01 1ju5 h ALA 76 Cb 1.32 0.01 0.18 0.00 0.00 0.00 0.00 17.79 19.30 1ju5 h ALA 76 CO 0.33 -0.46 0.15 -0.65 0.00 0.00 0.00 179.25 178.63 1ju5 s GLN 77 N -4.32 -0.61 -0.19 0.00 -0.21 -1.26 -4.88 119.66 108.20 1ju5 s GLN 77 Ca -0.04 0.16 -0.39 0.00 0.02 0.00 0.00 55.36 55.11 1ju5 s GLN 77 Cb 0.11 -1.65 -0.16 0.00 1.00 0.00 0.00 33.01 32.32 1ju5 s GLN 77 CO 0.39 -3.35 1.67 -2.30 -2.12 0.00 0.00 175.29 169.58 1ju5 n PRO 78 N -4.54 1.22 -2.96 2.91 -0.02 -1.26 -4.92 135.00 125.43 1ju5 n PRO 78 Ca 0.10 0.45 -0.42 0.00 -2.02 0.00 0.00 63.50 61.61 1ju5 n PRO 78 Cb 0.59 -2.13 -0.05 0.00 -0.02 0.00 0.00 33.50 31.89 1ju5 n PRO 78 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1ju5 s PRO 79 N 2.90 4.07 0.01 0.52 0.04 -1.26 -4.94 135.00 136.34 1ju5 s PRO 79 Ca 0.95 0.70 -0.30 0.00 0.04 0.00 0.00 61.00 62.39 1ju5 s PRO 79 Cb -1.02 -3.68 -0.04 0.00 0.04 0.00 0.00 34.50 29.79 1ju5 s PRO 79 CO 0.61 -0.57 1.13 -1.25 0.04 0.00 0.00 177.00 176.95 1ju5 s PRO 80 N 2.83 4.45 -1.49 0.56 0.04 -1.26 -3.74 135.00 136.40 1ju5 s PRO 80 Ca 0.32 1.64 -0.05 0.00 0.04 0.00 0.00 61.00 62.94 1ju5 s PRO 80 Cb -0.15 -3.43 0.04 0.00 0.04 0.00 0.00 34.50 31.01 1ju5 s PRO 80 CO 0.10 -0.24 0.55 0.41 0.04 0.00 0.00 177.00 177.85 1ju5 n GLY 81 N 3.16 -0.29 3.64 0.56 0.00 -1.26 -4.82 105.19 106.17 1ju5 n GLY 81 Ca 0.09 0.15 -0.42 0.00 0.00 0.00 0.00 46.02 45.83 1ju5 n GLY 81 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ju5 s VAL 82 N -3.75 3.24 -0.39 1.61 0.11 -1.25 -4.93 120.40 115.04 1ju5 s VAL 82 Ca 0.23 0.28 0.04 0.00 -2.93 0.00 0.00 61.98 59.60 1ju5 s VAL 82 Cb -0.12 -3.21 0.16 0.00 -1.53 0.00 0.00 36.38 31.68 1ju5 s VAL 82 CO 0.89 -0.06 0.45 -0.55 -3.33 0.00 0.00 175.10 172.50 1ju5 s SER 83 N 4.96 0.44 0.88 3.54 0.15 -1.26 -5.15 113.70 117.26 1ju5 s SER 83 Ca 0.85 -1.44 -0.13 0.00 0.70 0.00 0.00 55.95 55.93 1ju5 s SER 83 Cb -0.36 0.92 0.03 0.00 -1.71 0.00 0.00 66.02 64.90 1ju5 s SER 83 CO 0.36 -0.23 0.59 -2.65 1.20 0.00 0.00 173.24 172.51 1ju5 n PRO 84 N 4.20 -0.11 -0.04 5.44 -0.02 -1.26 -4.93 135.00 138.28 1ju5 n PRO 84 Ca 0.12 0.02 0.12 0.00 -2.02 0.00 0.00 63.50 61.74 1ju5 n PRO 84 Cb 0.48 -1.96 0.25 0.00 -0.02 0.00 0.00 33.50 32.25 1ju5 n PRO 84 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 1ju5 n SER 85 N -1.57 2.59 -4.28 2.55 7.64 -1.26 -4.98 113.62 114.30 1ju5 n SER 85 Ca 0.09 -1.85 -0.32 0.00 1.01 0.00 0.00 58.87 57.79 1ju5 n SER 85 Cb 0.52 -0.05 0.17 0.00 -1.01 0.00 0.00 64.21 63.84 1ju5 n SER 85 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1ju5 n ARG 86 N 0.99 -1.52 -3.07 1.43 1.74 -1.26 -3.93 116.66 111.04 1ju5 n ARG 86 Ca 0.16 -0.42 -0.34 0.00 -0.77 0.00 0.00 57.85 56.48 1ju5 n ARG 86 Cb 0.52 -1.71 -0.06 0.00 -1.02 0.00 0.00 32.46 30.19 1ju5 n ARG 86 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 1ju5 s LEU 87 N -1.23 4.13 -0.05 0.55 1.98 0.14 -4.66 118.68 119.53 1ju5 s LEU 87 Ca 0.56 1.40 -0.05 0.00 -2.89 0.00 0.00 54.13 53.15 1ju5 s LEU 87 Cb -0.12 -4.02 0.01 0.00 0.66 0.00 0.00 46.19 42.72 1ju5 s LEU 87 CO 0.66 -0.16 0.15 -0.60 -1.89 0.00 0.00 176.35 174.51 1ju5 s ARG 88 N -2.72 0.19 -0.27 1.98 3.00 -1.24 -1.06 118.95 118.82 1ju5 s ARG 88 Ca 0.52 0.18 -0.06 0.00 -1.00 0.00 0.00 55.73 55.38 1ju5 s ARG 88 Cb -0.12 0.09 0.14 0.00 0.00 0.00 0.00 34.95 35.06 1ju5 s ARG 88 CO 0.18 -0.02 0.55 -1.50 0.00 0.00 0.00 175.30 174.50 1ju5 s ILE 89 N 0.02 -0.86 0.00 4.11 1.10 0.42 -2.80 121.20 123.19 1ju5 s ILE 89 Ca -0.01 0.03 0.00 0.00 -0.51 0.00 0.00 60.65 60.16 1ju5 s ILE 89 Cb -0.01 -0.90 0.00 0.00 0.15 0.00 0.00 42.46 41.70 1ju5 s ILE 89 CO 0.00 -0.00 0.00 0.61 -2.11 0.00 0.00 174.94 173.44 1ju5 n GLY 90 N 5.42 3.33 1.38 1.50 0.00 -1.26 -1.80 105.19 113.76 1ju5 n GLY 90 Ca -0.07 -0.22 -0.03 0.00 0.00 0.00 0.00 46.02 45.69 1ju5 n GLY 90 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1ju5 n ASP 91 N 3.08 3.38 -3.70 1.61 -0.08 -1.26 -4.86 116.55 114.72 1ju5 n ASP 91 Ca 0.00 -2.61 -0.14 0.00 -1.51 0.00 0.00 54.79 50.53 1ju5 n ASP 91 Cb 0.00 -0.63 -0.08 0.00 2.34 0.00 0.00 41.12 42.75 1ju5 n ASP 91 CO 0.00 0.00 0.00 -1.58 0.12 0.00 0.00 177.20 175.74 1ju5 s GLN 92 N -1.78 0.78 0.37 -0.67 -0.44 -0.74 -5.18 119.66 112.00 1ju5 s GLN 92 Ca 0.28 -0.13 0.08 0.00 -2.50 0.00 0.00 55.36 53.09 1ju5 s GLN 92 Cb 0.22 0.35 -0.05 0.00 -1.64 0.00 0.00 33.01 31.89 1ju5 s GLN 92 CO 0.07 -0.23 0.15 -1.21 0.50 0.00 0.00 175.29 174.57 1ju5 s GLU 93 N -1.45 2.28 0.17 1.67 2.02 -1.26 -0.44 118.70 121.69 1ju5 s GLU 93 Ca -0.12 -1.69 -0.08 0.00 0.02 0.00 0.00 54.97 53.10 1ju5 s GLU 93 Cb -0.04 -2.07 -0.01 0.00 0.10 0.00 0.00 34.13 32.11 1ju5 s GLU 93 CO 0.05 0.01 0.28 -0.06 0.02 0.00 0.00 175.26 175.56 1ju5 s PHE 94 N -2.51 0.48 0.16 1.61 0.40 -0.23 -4.90 117.98 112.99 1ju5 s PHE 94 Ca 0.39 -0.83 -0.01 0.00 -0.60 0.00 0.00 56.93 55.88 1ju5 s PHE 94 Cb 0.00 -0.10 -0.00 0.00 0.51 0.00 0.00 43.02 43.44 1ju5 s PHE 94 CO 0.22 -0.73 1.38 0.22 0.70 0.00 0.00 175.22 177.01 1ju5 h ASP 95 N 2.54 0.40 -1.34 1.36 1.82 -1.96 0.43 116.42 119.67 1ju5 h ASP 95 Ca -0.32 -0.30 0.04 0.00 -0.39 0.00 0.00 57.03 56.06 1ju5 h ASP 95 Cb 1.23 -0.12 -0.01 0.00 0.68 0.00 0.00 39.33 41.11 1ju5 h ASP 95 CO 0.48 1.08 0.18 -0.24 -1.61 0.00 0.00 179.24 179.13 1ju5 n SER 96 N -3.75 -0.64 -0.03 2.28 2.88 -1.26 -4.28 113.62 108.82 1ju5 n SER 96 Ca -0.05 -1.36 -0.11 0.00 -1.33 0.00 0.00 58.87 56.02 1ju5 n SER 96 Cb 0.78 1.05 -0.05 0.00 -0.75 0.00 0.00 64.21 65.24 1ju5 n SER 96 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 1ju5 h LEU 97 N 0.00 0.19 -0.72 2.46 3.38 -1.97 -2.17 115.31 116.48 1ju5 h LEU 97 Ca -0.10 -0.06 0.15 0.00 0.09 0.00 0.00 57.88 57.96 1ju5 h LEU 97 Cb 0.42 -0.05 -0.14 0.00 0.09 0.00 0.00 40.66 40.98 1ju5 h LEU 97 CO 0.13 0.19 -0.15 -0.65 0.09 0.00 0.00 178.44 178.06 1ju5 h PRO 98 N 0.17 0.01 -0.56 1.13 0.11 -1.99 0.31 132.00 131.19 1ju5 h PRO 98 Ca 0.06 -0.00 -0.09 0.00 0.11 0.00 0.00 66.00 66.07 1ju5 h PRO 98 Cb 0.04 -0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.13 1ju5 h PRO 98 CO -0.01 0.01 -0.01 0.00 -0.21 0.00 0.00 178.00 177.78 1ju5 h ALA 99 N 1.72 0.92 0.94 -0.75 0.00 -1.94 -2.36 119.26 117.80 1ju5 h ALA 99 Ca 0.36 -0.30 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 1ju5 h ALA 99 Cb 0.56 -0.21 0.01 0.00 0.00 0.00 0.00 17.79 18.15 1ju5 h ALA 99 CO -0.73 0.64 -0.47 1.25 0.00 0.00 0.00 179.25 179.94 1ju5 h LEU 100 N 0.89 -1.12 -0.84 0.00 7.12 0.07 -1.64 115.31 119.79 1ju5 h LEU 100 Ca 0.16 0.04 0.20 0.00 0.13 0.00 0.00 57.88 58.41 1ju5 h LEU 100 Cb 0.54 0.30 -0.12 0.00 -0.53 0.00 0.00 40.66 40.84 1ju5 h LEU 100 CO 0.03 -0.78 0.29 -0.07 -0.13 0.00 0.00 178.44 177.78 1ju5 h LEU 101 N -1.29 0.17 -0.85 2.25 3.38 -0.56 0.23 115.31 118.65 1ju5 h LEU 101 Ca -0.13 0.16 0.04 0.00 0.09 0.00 0.00 57.88 58.04 1ju5 h LEU 101 Cb 0.99 0.17 -0.06 0.00 0.09 0.00 0.00 40.66 41.86 1ju5 h LEU 101 CO 0.20 -0.03 0.54 -0.33 0.09 0.00 0.00 178.44 178.91 1ju5 h GLU 102 N 0.33 1.00 0.24 1.13 5.08 -1.18 -1.83 114.58 119.35 1ju5 h GLU 102 Ca 0.51 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.80 1ju5 h GLU 102 Cb 0.93 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.94 1ju5 h GLU 102 CO -0.54 0.66 -0.19 0.35 -1.00 0.00 0.00 179.01 178.29 1ju5 h PHE 103 N 1.03 -0.49 -0.55 4.33 3.57 0.43 0.10 116.94 125.36 1ju5 h PHE 103 Ca 0.35 -0.00 0.10 0.00 3.53 0.00 0.00 57.97 61.95 1ju5 h PHE 103 Cb 0.07 0.18 -0.03 0.00 2.79 0.00 0.00 35.95 38.97 1ju5 h PHE 103 CO -0.03 -0.29 0.37 1.88 -2.23 0.00 0.00 178.31 178.02 1ju5 h TYR 104 N -0.43 0.34 0.00 0.41 -1.99 -1.09 1.29 116.97 115.49 1ju5 h TYR 104 Ca -0.01 0.01 -0.13 0.00 2.00 0.00 0.00 58.73 60.59 1ju5 h TYR 104 Cb 0.39 -0.11 -0.02 0.00 2.00 0.00 0.00 36.73 38.99 1ju5 h TYR 104 CO -0.12 0.16 -0.64 -0.22 -0.00 0.00 0.00 178.16 177.34 1ju5 h LYS 105 N 0.32 0.00 0.00 4.88 3.64 -0.61 -3.25 116.57 121.55 1ju5 h LYS 105 Ca 0.25 0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 59.57 1ju5 h LYS 105 Cb 0.57 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.38 1ju5 h LYS 105 CO -0.06 0.64 -1.50 -0.89 -2.27 0.00 0.00 179.45 175.37 1ju5 n ILE 106 N -3.40 0.59 -2.80 2.00 5.41 0.29 -3.95 119.36 117.50 1ju5 n ILE 106 Ca 0.01 -0.58 -0.20 0.00 1.00 0.00 0.00 62.75 62.97 1ju5 n ILE 106 Cb 0.73 -0.32 0.05 0.00 -0.71 0.00 0.00 39.64 39.40 1ju5 n ILE 106 CO 0.00 0.00 0.00 -2.28 0.00 0.00 0.00 176.55 174.27 1ju5 s HIS 107 N -3.27 2.21 -0.60 1.39 2.46 0.42 -5.03 115.29 112.86 1ju5 s HIS 107 Ca -0.04 -0.33 0.01 0.00 0.47 0.00 0.00 55.06 55.17 1ju5 s HIS 107 Cb 0.11 -2.60 0.41 0.00 -0.13 0.00 0.00 32.58 30.37 1ju5 s HIS 107 CO 0.84 -1.04 1.65 0.66 -2.47 0.00 0.00 174.74 174.38 1ju5 n TYR 108 N -2.33 3.11 0.02 3.88 4.02 -1.26 -4.67 117.16 119.93 1ju5 n TYR 108 Ca 0.11 -2.67 -0.01 0.00 -0.01 0.00 0.00 57.90 55.32 1ju5 n TYR 108 Cb 0.60 -0.82 -0.01 0.00 -0.02 0.00 0.00 39.34 39.09 1ju5 n TYR 108 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 176.86 177.10 1ju5 h LEU 109 N 2.51 -0.08 0.00 7.72 5.85 -1.85 -3.46 115.31 126.00 1ju5 h LEU 109 Ca 0.48 0.01 -0.36 0.00 0.84 0.00 0.00 57.88 58.84 1ju5 h LEU 109 Cb 0.70 0.03 0.01 0.00 0.37 0.00 0.00 40.66 41.77 1ju5 h LEU 109 CO 1.21 -0.04 -0.08 -0.90 -0.34 0.00 0.00 178.44 178.28 1ju5 n ASP 110 N -2.44 1.69 -4.65 1.25 5.75 -1.26 -5.02 116.55 111.88 1ju5 n ASP 110 Ca -0.01 -2.16 -0.56 0.00 -0.01 0.00 0.00 54.79 52.05 1ju5 n ASP 110 Cb 0.03 -0.24 -0.07 0.00 -1.03 0.00 0.00 41.12 39.81 1ju5 n ASP 110 CO 0.00 0.00 0.00 0.41 -0.11 0.00 0.00 177.20 177.50 1ju5 n THR 111 N -1.80 0.13 -1.05 2.12 -1.04 -1.26 -4.60 114.28 106.78 1ju5 n THR 111 Ca 0.09 -0.02 0.05 0.00 -2.04 0.00 0.00 64.05 62.12 1ju5 n THR 111 Cb 0.43 -0.88 -0.01 0.00 -1.82 0.00 0.00 70.33 68.05 1ju5 n THR 111 CO 0.00 0.00 0.00 1.07 -0.64 0.00 0.00 175.07 175.50 1ju5 n THR 112 N 3.41 0.00 -3.68 12.58 5.66 -1.26 -4.82 114.28 126.18 1ju5 n THR 112 Ca 0.23 0.00 -0.22 0.00 -3.05 0.00 0.00 64.05 61.01 1ju5 n THR 112 Cb 0.13 -0.11 -0.02 0.00 -1.55 0.00 0.00 70.33 68.78 1ju5 n THR 112 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 1ju5 s THR 113 N -0.90 5.18 0.64 1.09 -4.23 -1.26 -4.74 115.64 111.43 1ju5 s THR 113 Ca 0.00 -0.73 -0.14 0.00 -1.18 0.00 0.00 61.69 59.64 1ju5 s THR 113 Cb 0.00 -3.86 -0.01 0.00 1.34 0.00 0.00 72.50 69.97 1ju5 s THR 113 CO 0.00 -0.44 1.08 -0.76 -0.54 0.00 0.00 174.62 173.96 1ju5 s LEU 114 N -4.14 3.37 0.01 4.79 1.02 -1.25 -4.40 118.68 118.08 1ju5 s LEU 114 Ca 0.37 1.85 -0.03 0.00 0.02 0.00 0.00 54.13 56.34 1ju5 s LEU 114 Cb -0.09 -4.53 -0.01 0.00 0.02 0.00 0.00 46.19 41.57 1ju5 s LEU 114 CO 0.32 -1.44 -0.06 -0.38 0.02 0.00 0.00 176.35 174.82 1ju5 n ILE 115 N -2.44 0.76 -3.74 -0.59 5.41 -0.03 -4.88 119.36 113.85 1ju5 n ILE 115 Ca 0.09 0.25 -0.10 0.00 1.00 0.00 0.00 62.75 64.00 1ju5 n ILE 115 Cb 0.53 -1.53 -0.06 0.00 -0.71 0.00 0.00 39.64 37.87 1ju5 n ILE 115 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 176.55 174.94 1ju5 s GLU 116 N -1.73 0.97 0.75 0.38 2.02 -0.53 -5.02 118.70 115.54 1ju5 s GLU 116 Ca -0.05 -0.82 -0.11 0.00 0.02 0.00 0.00 54.97 54.00 1ju5 s GLU 116 Cb 0.01 0.41 0.04 0.00 0.10 0.00 0.00 34.13 34.69 1ju5 s GLU 116 CO 0.07 -0.35 1.09 -1.25 0.02 0.00 0.00 175.26 174.84 1ju5 s PRO 117 N -3.83 2.39 0.54 0.39 0.04 -1.26 -3.05 135.00 130.22 1ju5 s PRO 117 Ca 0.04 1.20 0.34 0.00 0.04 0.00 0.00 61.00 62.62 1ju5 s PRO 117 Cb 0.03 -1.91 1.51 0.00 0.04 0.00 0.00 34.50 34.17 1ju5 s PRO 117 CO -0.11 -1.55 1.86 -0.39 0.04 0.00 0.00 177.00 176.84 1ju5 h VAL 118 N -0.89 0.49 -3.67 -0.36 -1.51 -1.82 -3.41 116.25 105.08 1ju5 h VAL 118 Ca -0.44 0.00 -0.40 0.00 -1.23 0.00 0.00 66.70 64.63 1ju5 h VAL 118 Cb 1.23 0.49 0.17 0.00 -2.13 0.00 0.00 31.29 31.05 1ju5 h VAL 118 CO 0.52 0.00 0.37 -1.20 -1.23 0.00 0.00 177.57 176.03 1ju5 n SER 119 N -4.22 -0.11 0.00 4.19 7.64 -1.26 -5.08 113.62 114.78 1ju5 n SER 119 Ca 0.21 -1.42 0.00 0.00 1.01 0.00 0.00 58.87 58.67 1ju5 n SER 119 Cb 1.07 -0.95 0.00 0.00 -1.01 0.00 0.00 64.21 63.32 1ju5 n SER 119 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57