#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u5k s SER 3 N 0.00 -0.42 0.00 2.89 0.15 -1.26 -5.05 113.70 110.01 1u5k s SER 3 Ca 0.00 0.20 0.28 0.00 0.70 0.00 0.00 55.95 57.14 1u5k s SER 3 Cb 0.00 0.47 1.16 0.00 -1.71 0.00 0.00 66.02 65.94 1u5k s SER 3 CO 0.00 -0.68 1.81 0.54 1.20 0.00 0.00 173.24 176.11 1u5k n ARG 4 N 0.54 0.89 -4.36 5.44 1.74 -1.26 -4.79 116.66 114.85 1u5k n ARG 4 Ca -0.19 -0.38 -0.33 0.00 -0.77 0.00 0.00 57.85 56.18 1u5k n ARG 4 Cb 0.60 -1.49 -0.09 0.00 -1.02 0.00 0.00 32.46 30.45 1u5k n ARG 4 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1u5k s THR 5 N -2.37 4.07 -0.07 0.55 2.01 -1.26 -1.10 115.64 117.47 1u5k s THR 5 Ca 0.31 -0.54 -0.12 0.00 0.31 0.00 0.00 61.69 61.66 1u5k s THR 5 Cb 0.20 -2.77 0.02 0.00 0.01 0.00 0.00 72.50 69.96 1u5k s THR 5 CO 0.45 0.45 0.29 0.00 -0.69 0.00 0.00 174.62 175.12 1u5k s ALA 6 N -1.00 -0.71 -0.04 7.40 0.00 -0.32 -4.99 121.76 122.09 1u5k s ALA 6 Ca 0.17 0.58 -0.18 0.00 0.00 0.00 0.00 51.96 52.53 1u5k s ALA 6 Cb -0.11 -0.25 -0.05 0.00 0.00 0.00 0.00 23.12 22.70 1u5k s ALA 6 CO 0.07 -0.19 0.49 -0.80 0.00 0.00 0.00 175.76 175.34 1u5k s ASN 7 N -0.47 6.82 0.08 0.00 0.01 -1.26 -0.88 114.94 119.24 1u5k s ASN 7 Ca -0.06 0.98 0.01 0.00 -0.71 0.00 0.00 52.86 53.08 1u5k s ASN 7 Cb -0.04 -2.30 -0.04 0.00 0.41 0.00 0.00 41.25 39.28 1u5k s ASN 7 CO 0.02 0.15 -0.04 -0.13 -1.51 0.00 0.00 177.10 175.58 1u5k s ARG 8 N -0.25 0.76 -0.15 -0.60 1.81 0.15 -4.99 118.95 115.68 1u5k s ARG 8 Ca 0.27 -1.30 -0.07 0.00 -1.72 0.00 0.00 55.73 52.90 1u5k s ARG 8 Cb -0.17 -0.03 0.06 0.00 -0.45 0.00 0.00 34.95 34.36 1u5k s ARG 8 CO 0.14 -0.07 0.34 0.45 -0.68 0.00 0.00 175.30 175.48 1u5k s SER 9 N -3.00 -0.24 0.00 0.23 0.15 -1.26 -0.57 113.70 109.00 1u5k s SER 9 Ca 0.11 0.75 0.00 0.00 0.70 0.00 0.00 55.95 57.51 1u5k s SER 9 Cb 0.06 0.76 0.00 0.00 -1.71 0.00 0.00 66.02 65.13 1u5k s SER 9 CO -0.06 -0.20 0.00 0.61 1.20 0.00 0.00 173.24 174.79 1u5k n GLY 10 N 4.65 0.72 3.51 9.45 0.00 -0.32 -4.17 105.19 119.03 1u5k n GLY 10 Ca -0.18 -0.74 -0.34 0.00 0.00 0.00 0.00 46.02 44.76 1u5k n GLY 10 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1u5k s ILE 11 N -2.11 3.89 -0.14 -0.61 1.01 -0.00 0.03 121.20 123.26 1u5k s ILE 11 Ca 0.00 -0.36 -0.29 0.00 0.00 0.00 0.00 60.65 59.99 1u5k s ILE 11 Cb 0.00 -2.70 -0.02 0.00 0.01 0.00 0.00 42.46 39.75 1u5k s ILE 11 CO 0.00 0.50 1.34 -0.69 0.00 0.00 0.00 174.94 176.09 1u5k s VAL 12 N 0.26 4.14 -0.30 2.92 1.01 -0.62 -1.08 120.40 126.71 1u5k s VAL 12 Ca -0.03 1.38 0.12 0.00 0.00 0.00 0.00 61.98 63.45 1u5k s VAL 12 Cb -0.14 -3.89 -0.16 0.00 0.00 0.00 0.00 36.38 32.20 1u5k s VAL 12 CO 0.03 -0.12 0.39 2.30 0.00 0.00 0.00 175.10 177.70 1u5k n ILE 13 N 5.38 0.00 -3.69 2.22 -5.35 -0.16 -0.42 119.36 117.34 1u5k n ILE 13 Ca 0.14 -0.25 -0.14 0.00 -0.27 0.00 0.00 62.75 62.24 1u5k n ILE 13 Cb 0.44 0.63 -0.09 0.00 -1.74 0.00 0.00 39.64 38.89 1u5k n ILE 13 CO 0.00 0.00 0.00 -0.60 -1.76 0.00 0.00 176.55 174.19 1u5k s ARG 14 N -2.46 0.65 -0.08 6.28 3.52 -1.20 -4.80 118.95 120.86 1u5k s ARG 14 Ca 0.00 0.64 -0.00 0.00 -0.13 0.00 0.00 55.73 56.24 1u5k s ARG 14 Cb 0.08 0.32 0.02 0.00 -1.56 0.00 0.00 34.95 33.81 1u5k s ARG 14 CO 0.49 -0.10 -0.04 0.50 -0.81 0.00 0.00 175.30 175.35 1u5k s ARG 15 N 0.08 1.00 -0.18 5.12 3.52 -1.26 -1.64 118.95 125.59 1u5k s ARG 15 Ca -0.02 -0.08 -0.02 0.00 -0.13 0.00 0.00 55.73 55.49 1u5k s ARG 15 Cb -0.04 -1.16 -0.01 0.00 -1.56 0.00 0.00 34.95 32.19 1u5k s ARG 15 CO 0.02 -0.23 -0.10 0.50 -0.81 0.00 0.00 175.30 174.68 1u5k s ARG 16 N 1.59 3.31 -0.28 5.12 6.06 0.12 -4.98 118.95 129.89 1u5k s ARG 16 Ca 0.00 -0.68 -0.18 0.00 -2.50 0.00 0.00 55.73 52.37 1u5k s ARG 16 Cb -0.13 -2.79 -0.02 0.00 0.06 0.00 0.00 34.95 32.07 1u5k s ARG 16 CO -0.04 -0.04 0.53 0.08 -2.50 0.00 0.00 175.30 173.33 1u5k s VAL 17 N 1.01 5.04 0.45 7.11 1.01 -1.26 -0.72 120.40 133.04 1u5k s VAL 17 Ca -0.01 0.79 -0.08 0.00 0.00 0.00 0.00 61.98 62.69 1u5k s VAL 17 Cb -0.15 -3.88 -0.05 0.00 0.00 0.00 0.00 36.38 32.31 1u5k s VAL 17 CO -0.01 0.00 0.79 -0.89 0.00 0.00 0.00 175.10 174.98 1u5k s THR 18 N 2.37 4.85 0.42 3.92 2.01 -0.32 -4.95 115.64 123.95 1u5k s THR 18 Ca 0.21 0.40 0.14 0.00 0.31 0.00 0.00 61.69 62.76 1u5k s THR 18 Cb -0.15 -3.81 0.34 0.00 0.01 0.00 0.00 72.50 68.89 1u5k s THR 18 CO 0.10 -0.72 1.94 -0.65 -0.69 0.00 0.00 174.62 174.60 1u5k h PRO 19 N 0.65 0.42 0.00 4.92 0.11 -1.98 -0.14 132.00 135.98 1u5k h PRO 19 Ca -0.47 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1u5k h PRO 19 Cb 1.20 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.21 1u5k h PRO 19 CO 0.63 0.28 0.00 0.00 -0.21 0.00 0.00 178.00 178.69 1u5k n ALA 20 N -2.52 2.14 -0.68 -0.75 0.00 -1.26 -4.89 120.51 112.56 1u5k n ALA 20 Ca 0.13 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.46 1u5k n ALA 20 Cb 0.46 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.57 1u5k n ALA 20 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1u5k n GLY 21 N 0.41 0.65 3.84 0.00 0.00 -0.06 -4.79 105.19 105.24 1u5k n GLY 21 Ca 0.12 -0.14 -0.31 0.00 0.00 0.00 0.00 46.02 45.68 1u5k n GLY 21 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1u5k s ASP 22 N -2.13 6.09 -0.20 1.61 1.01 -1.26 -2.04 116.67 119.74 1u5k s ASP 22 Ca 0.00 1.55 0.01 0.00 0.71 0.00 0.00 52.55 54.82 1u5k s ASP 22 Cb 0.00 -2.49 0.03 0.00 1.01 0.00 0.00 42.92 41.47 1u5k s ASP 22 CO 0.00 -0.96 -0.17 -0.63 0.21 0.00 0.00 175.17 173.62 1u5k s ILE 23 N -2.93 2.17 -0.23 0.77 1.01 -0.39 -1.18 121.20 120.42 1u5k s ILE 23 Ca 0.58 -1.10 -0.08 0.00 0.00 0.00 0.00 60.65 60.04 1u5k s ILE 23 Cb -0.12 -2.01 -0.04 0.00 0.01 0.00 0.00 42.46 40.30 1u5k s ILE 23 CO 0.47 0.38 0.10 -0.63 0.00 0.00 0.00 174.94 175.26 1u5k s ILE 24 N 1.25 4.77 0.07 2.92 1.01 0.10 0.45 121.20 131.77 1u5k s ILE 24 Ca 0.01 -0.02 0.08 0.00 0.00 0.00 0.00 60.65 60.73 1u5k s ILE 24 Cb -0.15 -3.22 -0.03 0.00 0.01 0.00 0.00 42.46 39.07 1u5k s ILE 24 CO -0.10 0.36 -0.23 0.68 0.00 0.00 0.00 174.94 175.64 1u5k s VAL 25 N 1.22 1.86 -0.11 2.92 -7.23 0.49 -0.70 120.40 118.85 1u5k s VAL 25 Ca 0.05 -1.38 -0.02 0.00 -1.81 0.00 0.00 61.98 58.82 1u5k s VAL 25 Cb -0.14 -1.63 -0.03 0.00 0.56 0.00 0.00 36.38 35.14 1u5k s VAL 25 CO 0.04 0.17 -0.02 -0.89 -0.31 0.00 0.00 175.10 174.10 1u5k s THR 26 N -0.91 4.10 0.03 5.32 2.01 -0.65 -1.44 115.64 124.10 1u5k s THR 26 Ca 0.09 -0.31 0.08 0.00 0.31 0.00 0.00 61.69 61.86 1u5k s THR 26 Cb -0.09 -2.74 -0.02 0.00 0.01 0.00 0.00 72.50 69.65 1u5k s THR 26 CO 0.03 0.56 -0.23 -0.76 -0.69 0.00 0.00 174.62 173.52 1u5k s LEU 27 N -0.40 2.14 -0.19 4.42 1.43 0.17 -0.99 118.68 125.26 1u5k s LEU 27 Ca 0.07 -0.52 -0.12 0.00 -1.03 0.00 0.00 54.13 52.53 1u5k s LEU 27 Cb -0.12 -1.14 -0.05 0.00 0.03 0.00 0.00 46.19 44.91 1u5k s LEU 27 CO 0.02 0.23 0.22 -0.76 0.23 0.00 0.00 176.35 176.29 1u5k s LEU 28 N -1.04 4.21 0.13 1.79 1.43 -0.25 -1.00 118.68 123.96 1u5k s LEU 28 Ca 0.09 0.36 0.03 0.00 -1.03 0.00 0.00 54.13 53.58 1u5k s LEU 28 Cb -0.09 -2.24 -0.04 0.00 0.03 0.00 0.00 46.19 43.84 1u5k s LEU 28 CO 0.01 0.12 -0.06 0.42 0.23 0.00 0.00 176.35 177.07 1u5k s THR 29 N 0.51 0.83 0.24 5.49 -4.23 -0.89 -0.82 115.64 116.77 1u5k s THR 29 Ca 0.12 -1.98 0.35 0.00 -1.18 0.00 0.00 61.69 59.00 1u5k s THR 29 Cb -0.12 -1.83 0.35 0.00 1.34 0.00 0.00 72.50 72.24 1u5k s THR 29 CO 0.02 -0.74 2.06 1.55 -0.54 0.00 0.00 174.62 176.96 1u5k h PRO 30 N 2.85 0.00 -0.62 3.99 0.13 -1.88 -1.15 132.00 135.32 1u5k h PRO 30 Ca -0.36 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.77 1u5k h PRO 30 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1u5k h PRO 30 CO 0.64 0.00 0.00 1.04 -0.23 0.00 0.00 178.00 179.45 1u5k n GLN 31 N -2.75 3.12 0.00 0.86 6.02 -1.26 -2.70 117.38 120.67 1u5k n GLN 31 Ca -0.02 -2.65 0.00 0.00 -0.01 0.00 0.00 57.00 54.32 1u5k n GLN 31 Cb 0.09 -1.64 0.00 0.00 1.02 0.00 0.00 30.24 29.71 1u5k n GLN 31 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1u5k n GLY 32 N 1.19 0.92 3.77 1.08 0.00 -0.43 -5.02 105.19 106.69 1u5k n GLY 32 Ca 0.23 -2.25 -0.37 0.00 0.00 0.00 0.00 46.02 43.62 1u5k n GLY 32 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1u5k s LYS 33 N -1.00 4.18 -0.04 1.61 1.02 -1.26 -2.10 119.74 122.14 1u5k s LYS 33 Ca 0.00 1.64 -0.00 0.00 0.02 0.00 0.00 55.97 57.63 1u5k s LYS 33 Cb 0.00 -2.66 0.03 0.00 -0.52 0.00 0.00 37.83 34.68 1u5k s LYS 33 CO 0.00 -0.15 0.01 -1.17 -0.92 0.00 0.00 175.35 173.11 1u5k s LEU 34 N -2.46 0.88 -0.13 3.17 2.96 -0.17 -4.97 118.68 117.96 1u5k s LEU 34 Ca 0.56 -0.03 -0.03 0.00 -0.22 0.00 0.00 54.13 54.42 1u5k s LEU 34 Cb -0.26 -0.27 -0.03 0.00 0.50 0.00 0.00 46.19 46.13 1u5k s LEU 34 CO 0.32 -0.14 -0.04 -0.75 -1.32 0.00 0.00 176.35 174.42 1u5k s LYS 35 N 1.41 3.41 0.15 1.98 2.20 -1.26 0.44 119.74 128.07 1u5k s LYS 35 Ca -0.04 -0.52 -0.16 0.00 -0.36 0.00 0.00 55.97 54.89 1u5k s LYS 35 Cb -0.13 -2.83 0.03 0.00 -1.51 0.00 0.00 37.83 33.39 1u5k s LYS 35 CO -0.03 0.38 0.43 0.00 -0.36 0.00 0.00 175.35 175.77 1u5k s ALA 36 N -0.01 -0.89 -0.10 3.13 0.00 -0.52 -3.99 121.76 119.38 1u5k s ALA 36 Ca 0.01 -0.14 0.03 0.00 0.00 0.00 0.00 51.96 51.86 1u5k s ALA 36 Cb -0.13 0.75 0.00 0.00 0.00 0.00 0.00 23.12 23.75 1u5k s ALA 36 CO 0.03 -0.69 -0.21 -1.50 0.00 0.00 0.00 175.76 173.38 1u5k s ILE 37 N -3.83 1.85 -0.50 0.00 2.07 -0.32 -0.38 121.20 120.09 1u5k s ILE 37 Ca 0.06 -0.89 -0.17 0.00 -1.41 0.00 0.00 60.65 58.24 1u5k s ILE 37 Cb 0.01 -1.62 0.08 0.00 0.13 0.00 0.00 42.46 41.06 1u5k s ILE 37 CO -0.09 0.51 0.49 0.00 -1.91 0.00 0.00 174.94 173.94 1u5k s ALA 38 N 0.50 3.53 0.36 1.50 0.00 0.17 -0.83 121.76 126.99 1u5k s ALA 38 Ca -0.16 -2.11 -0.26 0.00 0.00 0.00 0.00 51.96 49.43 1u5k s ALA 38 Cb -0.17 -3.20 -0.09 0.00 0.00 0.00 0.00 23.12 19.66 1u5k s ALA 38 CO 0.06 -1.89 1.12 1.03 0.00 0.00 0.00 175.76 176.08 1u5k s ARG 39 N 1.94 4.26 -1.04 0.00 0.52 -1.26 -1.26 118.95 122.10 1u5k s ARG 39 Ca 0.07 1.75 -0.12 0.00 -0.52 0.00 0.00 55.73 56.91 1u5k s ARG 39 Cb -0.24 -2.79 0.12 0.00 0.52 0.00 0.00 34.95 32.55 1u5k s ARG 39 CO 0.07 -0.12 0.34 0.41 0.02 0.00 0.00 175.30 176.02 1u5k n GLY 40 N 0.71 -0.45 0.20 -3.53 0.00 -1.26 -4.83 105.19 96.02 1u5k n GLY 40 Ca 0.03 0.04 -0.06 0.00 0.00 0.00 0.00 46.02 46.03 1u5k n GLY 40 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1u5k h GLY 41 N -0.53 0.44 1.21 -0.02 0.00 -0.88 -3.17 103.07 100.11 1u5k h GLY 41 Ca -0.33 -0.49 -0.03 0.00 0.00 0.00 0.00 47.33 46.48 1u5k h GLY 41 CO 0.48 0.44 0.33 -0.24 0.00 0.00 0.00 176.54 177.54 1u5k h VAL 42 N 0.32 1.23 -2.03 4.60 3.04 -1.68 -3.07 116.25 118.66 1u5k h VAL 42 Ca 0.01 -0.67 -0.75 0.00 -1.01 0.00 0.00 66.70 64.29 1u5k h VAL 42 Cb 1.01 0.34 -0.30 0.00 -2.01 0.00 0.00 31.29 30.33 1u5k h VAL 42 CO 0.09 0.28 0.74 0.29 -1.01 0.00 0.00 177.57 177.95 1u5k n LYS 43 N -4.32 3.59 0.00 4.17 4.01 -1.20 -4.73 118.16 119.68 1u5k n LYS 43 Ca 0.07 -4.03 0.00 0.00 -0.51 0.00 0.00 58.31 53.84 1u5k n LYS 43 Cb 0.15 -2.32 0.00 0.00 -0.51 0.00 0.00 35.03 32.35 1u5k n LYS 43 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1u5k n GLY 44 N -0.39 3.40 0.00 0.72 0.00 -1.16 -5.06 105.19 102.70 1u5k n GLY 44 Ca 0.49 -0.71 0.12 0.00 0.00 0.00 0.00 46.02 45.92 1u5k n GLY 44 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1u5k n PRO 45 N 0.00 0.03 0.00 1.61 -0.06 -1.26 -3.95 135.00 131.36 1u5k n PRO 45 Ca 0.00 0.07 0.10 0.00 -0.06 0.00 0.00 63.50 63.61 1u5k n PRO 45 Cb 0.00 -1.50 -0.08 0.00 -0.06 0.00 0.00 33.50 31.86 1u5k n PRO 45 CO 0.00 0.00 0.00 1.28 -0.06 0.00 0.00 175.50 176.72 1u5k n LEU 46 N -1.48 1.30 -0.08 1.53 4.77 -1.26 -4.63 117.00 117.15 1u5k n LEU 46 Ca 0.07 -0.59 -0.09 0.00 -0.03 0.00 0.00 56.01 55.37 1u5k n LEU 46 Cb 0.29 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.36 1u5k n LEU 46 CO 0.23 0.28 0.96 -1.28 -1.33 0.00 0.00 177.39 176.26 1u5k h SER 47 N 0.78 0.34 0.21 -1.43 0.87 -1.68 -2.90 113.55 109.75 1u5k h SER 47 Ca 0.00 -0.05 -0.21 0.00 -1.23 0.00 0.00 61.79 60.30 1u5k h SER 47 Cb 0.56 -0.09 0.00 0.00 -0.44 0.00 0.00 62.40 62.44 1u5k h SER 47 CO 0.00 0.29 -0.85 0.77 -0.53 0.00 0.00 176.83 176.51 1u5k h SER 48 N 0.36 0.61 -0.69 6.23 4.64 -1.89 -3.19 113.55 119.63 1u5k h SER 48 Ca 0.10 -0.44 -0.04 0.00 -0.47 0.00 0.00 61.79 60.94 1u5k h SER 48 Cb 0.01 -0.18 -0.03 0.00 -0.31 0.00 0.00 62.40 61.89 1u5k h SER 48 CO -0.02 1.22 0.28 0.77 -0.87 0.00 0.00 176.83 178.22 1u5k h SER 49 N 0.31 0.96 -0.40 4.97 4.64 -1.84 -3.27 113.55 118.92 1u5k h SER 49 Ca -0.06 -0.14 -0.31 0.00 -0.47 0.00 0.00 61.79 60.81 1u5k h SER 49 Cb 1.47 -0.25 -0.11 0.00 -0.31 0.00 0.00 62.40 63.20 1u5k h SER 49 CO 0.15 0.86 -0.07 0.18 -0.87 0.00 0.00 176.83 177.08 1u5k n LEU 50 N -4.29 5.72 -4.79 5.97 4.77 -1.10 -4.81 117.00 118.47 1u5k n LEU 50 Ca 0.06 -3.52 -0.22 0.00 -0.03 0.00 0.00 56.01 52.30 1u5k n LEU 50 Cb 0.18 -1.35 -0.05 0.00 -2.33 0.00 0.00 43.42 39.87 1u5k n LEU 50 CO 0.40 1.72 -0.19 0.20 -1.33 0.00 0.00 177.39 178.19 1u5k s ASN 51 N 1.39 5.27 0.21 -1.43 0.01 -1.24 -4.90 114.94 114.25 1u5k s ASN 51 Ca 0.64 -0.39 -0.32 0.00 -0.71 0.00 0.00 52.86 52.08 1u5k s ASN 51 Cb 0.34 -1.20 -0.14 0.00 0.41 0.00 0.00 41.25 40.65 1u5k s ASN 51 CO -0.08 -0.09 1.29 0.18 -1.51 0.00 0.00 177.10 176.89 1u5k n LEU 52 N -1.15 2.35 0.00 0.60 4.77 -1.26 -1.99 117.00 120.32 1u5k n LEU 52 Ca -0.06 1.14 0.00 0.00 -0.03 0.00 0.00 56.01 57.06 1u5k n LEU 52 Cb 0.59 -1.33 0.00 0.00 -2.33 0.00 0.00 43.42 40.35 1u5k n LEU 52 CO 0.42 -0.87 0.00 0.49 -1.33 0.00 0.00 177.39 176.10 1u5k n PHE 53 N 1.72 0.00 -2.57 -1.77 0.99 0.44 -4.97 117.46 111.30 1u5k n PHE 53 Ca 0.13 0.00 -0.40 0.00 -0.00 0.00 0.00 57.45 57.18 1u5k n PHE 53 Cb 0.28 0.00 -0.05 0.00 -1.00 0.00 0.00 39.48 38.71 1u5k n PHE 53 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.76 175.75 1u5k s HIS 54 N -3.82 3.72 -0.35 1.38 3.76 -0.84 -4.71 115.29 114.42 1u5k s HIS 54 Ca 0.00 1.77 -0.21 0.00 -0.15 0.00 0.00 55.06 56.46 1u5k s HIS 54 Cb 0.00 -3.18 0.00 0.00 1.11 0.00 0.00 32.58 30.51 1u5k s HIS 54 CO 0.00 -0.22 0.67 -1.58 -0.85 0.00 0.00 174.74 172.77 1u5k s HIS 55 N -1.09 3.15 0.13 1.40 2.46 -0.25 -1.59 115.29 119.49 1u5k s HIS 55 Ca 0.44 0.42 0.11 0.00 0.47 0.00 0.00 55.06 56.50 1u5k s HIS 55 Cb -0.30 -3.19 -0.04 0.00 -0.13 0.00 0.00 32.58 28.92 1u5k s HIS 55 CO 0.38 -0.64 -0.26 0.14 -2.47 0.00 0.00 174.74 171.89 1u5k s VAL 56 N 2.80 2.32 -0.19 0.89 -7.23 0.10 -0.75 120.40 118.35 1u5k s VAL 56 Ca 0.26 -1.75 -0.09 0.00 -1.81 0.00 0.00 61.98 58.59 1u5k s VAL 56 Cb -0.14 -2.04 -0.05 0.00 0.56 0.00 0.00 36.38 34.71 1u5k s VAL 56 CO 0.15 0.08 0.11 -0.83 -0.31 0.00 0.00 175.10 174.29 1u5k s GLY 57 N -2.10 2.00 -0.01 2.32 0.00 0.08 -1.17 107.32 108.44 1u5k s GLY 57 Ca 0.15 -0.71 0.02 0.00 0.00 0.00 0.00 44.72 44.19 1u5k s GLY 57 CO 0.07 0.07 -0.08 -1.34 0.00 0.00 0.00 173.10 171.82 1u5k s VAL 58 N 0.27 0.63 -0.25 1.40 -7.23 0.26 -0.08 120.40 115.41 1u5k s VAL 58 Ca 0.07 -0.34 -0.13 0.00 -1.81 0.00 0.00 61.98 59.76 1u5k s VAL 58 Cb -0.12 -0.53 -0.04 0.00 0.56 0.00 0.00 36.38 36.25 1u5k s VAL 58 CO -0.01 0.18 0.29 -1.58 -0.31 0.00 0.00 175.10 173.67 1u5k s GLN 59 N -0.18 4.06 0.08 4.82 0.74 -0.53 -0.67 119.66 127.98 1u5k s GLN 59 Ca 0.03 -0.06 0.09 0.00 0.05 0.00 0.00 55.36 55.47 1u5k s GLN 59 Cb -0.03 -3.59 -0.03 0.00 1.10 0.00 0.00 33.01 30.45 1u5k s GLN 59 CO -0.00 -0.10 -0.25 0.14 -0.55 0.00 0.00 175.29 174.53 1u5k s VAL 60 N 1.54 2.02 -0.18 1.34 -7.23 -0.06 -0.48 120.40 117.35 1u5k s VAL 60 Ca 0.13 -1.48 -0.01 0.00 -1.81 0.00 0.00 61.98 58.80 1u5k s VAL 60 Cb -0.15 -1.77 -0.00 0.00 0.56 0.00 0.00 36.38 35.02 1u5k s VAL 60 CO 0.08 0.20 -0.11 -0.47 -0.31 0.00 0.00 175.10 174.48 1u5k s TYR 61 N -0.93 2.86 -0.43 2.82 5.04 0.11 -1.18 117.35 125.64 1u5k s TYR 61 Ca 0.11 -1.02 -0.13 0.00 -2.44 0.00 0.00 57.07 53.58 1u5k s TYR 61 Cb -0.10 -1.97 0.05 0.00 0.35 0.00 0.00 41.96 40.30 1u5k s TYR 61 CO 0.03 -0.50 0.31 -1.14 -1.34 0.00 0.00 175.55 172.91 1u5k s GLN 62 N 1.05 2.88 1.04 4.97 2.00 -0.26 -1.08 119.66 130.26 1u5k s GLN 62 Ca -0.00 -1.23 -0.15 0.00 -2.00 0.00 0.00 55.36 51.97 1u5k s GLN 62 Cb -0.15 -3.96 0.10 0.00 0.80 0.00 0.00 33.01 29.81 1u5k s GLN 62 CO -0.02 -0.88 0.38 0.41 -0.50 0.00 0.00 175.29 174.68 1u5k n GLY 63 N 5.11 -2.06 0.17 2.59 0.00 -1.26 -4.83 105.19 104.90 1u5k n GLY 63 Ca -0.12 -0.81 0.04 0.00 0.00 0.00 0.00 46.02 45.13 1u5k n GLY 63 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1u5k h PRO 64 N -1.92 0.00 0.00 1.61 0.13 -1.99 -3.46 132.00 126.37 1u5k h PRO 64 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1u5k h PRO 64 Cb 1.32 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.45 1u5k h PRO 64 CO 0.38 0.45 0.00 -2.39 -0.23 0.00 0.00 178.00 176.21 1u5k n HIS 65 N -3.44 0.00 0.00 1.56 1.44 -1.26 -5.21 115.22 108.31 1u5k n HIS 65 Ca 0.00 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.71 1u5k n HIS 65 Cb 0.60 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.71 1u5k n HIS 65 CO 0.00 0.00 0.00 -0.25 -2.81 0.00 0.00 176.34 173.28 1u5k n ASP 67 N 0.00 0.00 -4.69 4.39 10.43 -1.26 -5.19 116.55 120.22 1u5k n ASP 67 Ca 0.00 0.00 -0.41 0.00 2.57 0.00 0.00 54.79 56.95 1u5k n ASP 67 Cb 0.00 0.00 -0.04 0.00 1.84 0.00 0.00 41.12 42.92 1u5k n ASP 67 CO 0.00 0.00 0.00 -0.22 -1.07 0.00 0.00 177.20 175.91 1u5k s LEU 68 N -0.35 4.26 0.45 0.64 2.96 -1.26 -5.00 118.68 120.38 1u5k s LEU 68 Ca 0.00 1.34 -0.25 0.00 -0.22 0.00 0.00 54.13 55.01 1u5k s LEU 68 Cb 0.00 -3.33 -0.08 0.00 0.50 0.00 0.00 46.19 43.29 1u5k s LEU 68 CO 0.00 -0.31 1.33 0.00 -1.32 0.00 0.00 176.35 176.05 1u5k s ALA 69 N 1.58 3.13 -0.08 5.97 0.00 -1.26 -4.79 121.76 126.31 1u5k s ALA 69 Ca 0.43 1.28 0.00 0.00 0.00 0.00 0.00 51.96 53.66 1u5k s ALA 69 Cb -0.18 -3.52 -0.03 0.00 0.00 0.00 0.00 23.12 19.39 1u5k s ALA 69 CO 0.18 -1.01 -0.06 -1.54 0.00 0.00 0.00 175.76 173.33 1u5k s SER 70 N -0.80 4.75 -0.20 0.00 1.04 -0.24 -1.17 113.70 117.09 1u5k s SER 70 Ca 0.62 -0.00 -0.21 0.00 0.48 0.00 0.00 55.95 56.84 1u5k s SER 70 Cb -0.39 -1.26 -0.02 0.00 0.10 0.00 0.00 66.02 64.45 1u5k s SER 70 CO 0.49 0.35 0.64 -0.69 0.98 0.00 0.00 173.24 175.01 1u5k s VAL 71 N -0.74 5.01 -0.25 5.02 1.01 -0.01 -0.72 120.40 129.72 1u5k s VAL 71 Ca 0.11 1.22 0.04 0.00 0.00 0.00 0.00 61.98 63.35 1u5k s VAL 71 Cb -0.11 -3.96 -0.18 0.00 0.00 0.00 0.00 36.38 32.13 1u5k s VAL 71 CO 0.02 0.11 -0.19 0.29 0.00 0.00 0.00 175.10 175.32 1u5k n LYS 72 N 5.06 0.65 -3.98 2.72 5.02 0.36 -4.64 118.16 123.36 1u5k n LYS 72 Ca -0.01 0.13 -0.09 0.00 -2.02 0.00 0.00 58.31 56.32 1u5k n LYS 72 Cb 0.50 -1.52 -0.10 0.00 -0.02 0.00 0.00 35.03 33.89 1u5k n LYS 72 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 1u5k s GLN 73 N -2.51 0.50 -0.10 1.97 -0.21 -1.17 -4.98 119.66 113.15 1u5k s GLN 73 Ca -0.32 -0.79 -0.06 0.00 0.02 0.00 0.00 55.36 54.21 1u5k s GLN 73 Cb 0.09 0.19 0.04 0.00 1.00 0.00 0.00 33.01 34.32 1u5k s GLN 73 CO 0.62 -0.11 0.25 0.00 -2.12 0.00 0.00 175.29 173.94 1u5k s ALA 74 N -2.46 -0.60 -0.08 6.09 0.00 -1.26 -1.45 121.76 122.00 1u5k s ALA 74 Ca -0.06 0.94 0.01 0.00 0.00 0.00 0.00 51.96 52.84 1u5k s ALA 74 Cb -0.02 -0.58 0.02 0.00 0.00 0.00 0.00 23.12 22.53 1u5k s ALA 74 CO -0.04 -0.18 -0.09 0.08 0.00 0.00 0.00 175.76 175.53 1u5k s VAL 75 N 0.93 0.98 -0.10 0.00 1.01 0.89 -4.98 120.40 119.12 1u5k s VAL 75 Ca -0.07 -0.33 -0.29 0.00 0.00 0.00 0.00 61.98 61.29 1u5k s VAL 75 Cb -0.08 -0.95 -0.04 0.00 0.00 0.00 0.00 36.38 35.32 1u5k s VAL 75 CO -0.06 0.34 1.50 -0.22 0.00 0.00 0.00 175.10 176.65 1u5k s LEU 76 N 1.12 4.25 -0.02 3.92 2.96 -1.26 -0.74 118.68 128.91 1u5k s LEU 76 Ca -0.06 2.00 0.17 0.00 -0.22 0.00 0.00 54.13 56.02 1u5k s LEU 76 Cb -0.14 -3.54 -0.24 0.00 0.50 0.00 0.00 46.19 42.77 1u5k s LEU 76 CO -0.01 -0.87 0.48 -0.62 -1.32 0.00 0.00 176.35 174.00 1u5k n GLU 77 N 6.95 0.79 -3.65 1.98 1.02 0.07 -4.93 120.64 122.87 1u5k n GLU 77 Ca 0.16 -0.11 -0.01 0.00 -0.02 0.00 0.00 57.16 57.18 1u5k n GLU 77 Cb 0.44 -1.38 -0.06 0.00 -0.02 0.00 0.00 31.44 30.41 1u5k n GLU 77 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1u5k s GLY 78 N -3.59 0.33 0.08 0.62 0.00 -0.97 -4.98 107.32 98.81 1u5k s GLY 78 Ca -0.03 3.47 0.01 0.00 0.00 0.00 0.00 44.72 48.18 1u5k s GLY 78 CO 0.71 2.48 -0.05 0.00 0.00 0.00 0.00 173.10 176.24 1u5k s ALA 79 N 0.87 0.84 -0.47 3.20 0.00 -1.26 -1.10 121.76 123.84 1u5k s ALA 79 Ca -0.04 -1.31 0.03 0.00 0.00 0.00 0.00 51.96 50.64 1u5k s ALA 79 Cb -0.03 0.19 0.14 0.00 0.00 0.00 0.00 23.12 23.42 1u5k s ALA 79 CO -0.12 -0.27 0.29 -0.51 0.00 0.00 0.00 175.76 175.14 1u5k s LEU 80 N -3.00 2.79 0.61 0.00 1.43 -1.26 -5.00 118.68 114.25 1u5k s LEU 80 Ca 0.10 -2.85 0.34 0.00 -1.03 0.00 0.00 54.13 50.70 1u5k s LEU 80 Cb 0.06 -1.03 1.98 0.00 0.03 0.00 0.00 46.19 47.24 1u5k s LEU 80 CO -0.06 -0.23 2.28 -0.65 0.23 0.00 0.00 176.35 177.92 1u5k h PRO 81 N 6.41 0.00 0.00 1.29 0.11 -1.99 -1.70 132.00 136.11 1u5k h PRO 81 Ca 0.05 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.13 1u5k h PRO 81 Cb 0.90 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.01 1u5k h PRO 81 CO 0.50 0.01 -0.15 1.15 -0.21 0.00 0.00 178.00 179.30 1u5k h THR 82 N 0.00 0.35 0.00 -1.15 2.02 -1.94 -2.17 112.91 110.02 1u5k h THR 82 Ca -0.00 -0.95 0.00 0.00 0.77 0.00 0.00 66.41 66.23 1u5k h THR 82 Cb 0.03 1.72 0.00 0.00 -1.74 0.00 0.00 68.15 68.15 1u5k h THR 82 CO 0.00 0.14 0.07 0.18 0.37 0.00 0.00 175.52 176.28 1u5k n LEU 83 N -3.27 0.27 0.17 2.58 4.77 -0.64 -1.00 117.00 119.89 1u5k n LEU 83 Ca 0.01 0.59 0.14 0.00 -0.03 0.00 0.00 56.01 56.71 1u5k n LEU 83 Cb 0.40 -0.61 0.49 0.00 -2.33 0.00 0.00 43.42 41.37 1u5k n LEU 83 CO 0.32 -0.68 0.89 0.00 -1.33 0.00 0.00 177.39 176.59 1u5k h ALA 84 N 1.78 1.00 -2.54 -1.18 0.00 -1.59 -2.91 119.26 113.82 1u5k h ALA 84 Ca 0.00 0.00 -0.53 0.00 0.00 0.00 0.00 54.91 54.38 1u5k h ALA 84 Cb 0.14 0.00 0.03 0.00 0.00 0.00 0.00 17.79 17.96 1u5k h ALA 84 CO 0.00 0.00 0.93 -1.21 0.00 0.00 0.00 179.25 178.97 1u5k s GLU 85 N -3.35 4.21 0.29 0.00 2.02 -0.17 -4.83 118.70 116.87 1u5k s GLU 85 Ca 0.05 2.35 0.03 0.00 0.02 0.00 0.00 54.97 57.42 1u5k s GLU 85 Cb 0.09 -3.36 0.63 0.00 0.10 0.00 0.00 34.13 31.60 1u5k s GLU 85 CO 0.51 -0.67 1.81 -1.35 0.02 0.00 0.00 175.26 175.58 1u5k h PRO 86 N 7.50 0.86 -0.44 0.39 0.11 -1.89 0.92 132.00 139.45 1u5k h PRO 86 Ca -0.43 -0.05 -0.11 0.00 0.11 0.00 0.00 66.00 65.52 1u5k h PRO 86 Cb 1.20 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 32.11 1u5k h PRO 86 CO 0.92 0.57 -0.17 1.49 -0.21 0.00 0.00 178.00 180.60 1u5k h GLU 87 N 0.88 0.89 -0.26 1.05 4.81 -1.93 -2.12 114.58 117.91 1u5k h GLU 87 Ca 0.53 -0.37 -0.07 0.00 -0.13 0.00 0.00 59.36 59.32 1u5k h GLU 87 Cb 0.67 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.01 1u5k h GLU 87 CO -0.32 1.02 -0.10 0.00 -0.73 0.00 0.00 179.01 178.89 1u5k h ARG 88 N 0.73 0.52 -0.67 1.92 3.08 -1.69 -2.87 114.38 115.40 1u5k h ARG 88 Ca 0.10 -0.22 0.12 0.00 0.07 0.00 0.00 59.98 60.06 1u5k h ARG 88 Cb 0.73 -0.02 -0.09 0.00 0.08 0.00 0.00 29.97 30.67 1u5k h ARG 88 CO 0.06 0.76 0.23 -0.92 -1.07 0.00 0.00 179.97 179.02 1u5k h TYR 89 N 0.26 0.38 -0.81 3.04 3.20 -0.63 -1.02 116.97 121.39 1u5k h TYR 89 Ca 0.06 0.03 0.01 0.00 3.14 0.00 0.00 58.73 61.98 1u5k h TYR 89 Cb 0.59 -0.07 -0.04 0.00 1.54 0.00 0.00 36.73 38.75 1u5k h TYR 89 CO 0.06 0.04 0.54 0.00 -1.64 0.00 0.00 178.16 177.15 1u5k h ALA 90 N 1.50 1.03 -0.00 1.82 0.00 -1.25 0.09 119.26 122.45 1u5k h ALA 90 Ca 0.36 -0.05 -0.24 0.00 0.00 0.00 0.00 54.91 54.97 1u5k h ALA 90 Cb 0.52 -0.32 0.01 0.00 0.00 0.00 0.00 17.79 17.99 1u5k h ALA 90 CO -0.38 0.43 -0.98 0.74 0.00 0.00 0.00 179.25 179.06 1u5k h PHE 91 N 1.09 0.78 -0.61 0.00 -1.00 -1.26 -1.90 116.94 114.06 1u5k h PHE 91 Ca 0.30 -0.43 0.05 0.00 2.81 0.00 0.00 57.97 60.71 1u5k h PHE 91 Cb -0.12 -0.09 -0.05 0.00 3.61 0.00 0.00 35.95 39.30 1u5k h PHE 91 CO -0.02 1.25 0.32 0.00 -1.61 0.00 0.00 178.31 178.26 1u5k h ALA 92 N 0.61 0.80 -0.52 2.45 0.00 -0.89 -1.45 119.26 120.26 1u5k h ALA 92 Ca -0.10 0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.77 1u5k h ALA 92 Cb 1.63 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 19.30 1u5k h ALA 92 CO 0.18 -0.01 0.08 1.25 0.00 0.00 0.00 179.25 180.75 1u5k h HIS 93 N 0.61 0.92 -0.17 0.00 6.17 -0.92 -1.42 115.15 120.33 1u5k h HIS 93 Ca 0.27 -0.13 0.03 0.00 0.71 0.00 0.00 60.37 61.25 1u5k h HIS 93 Cb 0.17 -0.25 -0.03 0.00 2.52 0.00 0.00 27.41 29.82 1u5k h HIS 93 CO -0.09 0.83 -0.03 1.25 0.71 0.00 0.00 177.93 180.60 1u5k h LEU 94 N 0.74 -0.12 -0.89 0.26 5.85 -1.13 -2.01 115.31 118.01 1u5k h LEU 94 Ca 0.16 0.05 0.01 0.00 0.84 0.00 0.00 57.88 58.94 1u5k h LEU 94 Cb 0.41 0.09 -0.05 0.00 0.37 0.00 0.00 40.66 41.48 1u5k h LEU 94 CO 0.01 -0.04 0.59 0.24 -0.34 0.00 0.00 178.44 178.90 1u5k h MET 95 N 0.02 1.16 0.24 1.25 2.86 -0.94 0.54 114.93 120.07 1u5k h MET 95 Ca 0.08 -0.07 -0.01 0.00 -2.06 0.00 0.00 59.70 57.64 1u5k h MET 95 Cb 0.12 -0.26 0.00 0.00 0.06 0.00 0.00 31.60 31.52 1u5k h MET 95 CO -0.16 0.77 -0.12 0.00 1.06 0.00 0.00 176.91 178.46 1u5k h ALA 96 N 1.34 -0.33 -0.06 6.32 0.00 -0.99 0.43 119.26 125.96 1u5k h ALA 96 Ca 0.33 -0.09 -0.15 0.00 0.00 0.00 0.00 54.91 55.00 1u5k h ALA 96 Cb -0.11 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1u5k h ALA 96 CO -0.08 -0.66 -0.63 0.93 0.00 0.00 0.00 179.25 178.81 1u5k h GLU 97 N -0.37 0.24 -0.13 0.00 4.39 -1.21 -2.41 114.58 115.09 1u5k h GLU 97 Ca -0.03 -0.17 -0.03 0.00 0.34 0.00 0.00 59.36 59.47 1u5k h GLU 97 Cb 0.28 0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 28.96 1u5k h GLU 97 CO 0.05 0.79 -0.02 0.35 -1.16 0.00 0.00 179.01 179.02 1u5k h PHE 98 N 0.17 0.27 -0.97 4.33 3.57 -0.80 -1.78 116.94 121.74 1u5k h PHE 98 Ca -0.01 -0.06 -0.00 0.00 3.53 0.00 0.00 57.97 61.43 1u5k h PHE 98 Cb 1.15 -0.07 -0.05 0.00 2.79 0.00 0.00 35.95 39.77 1u5k h PHE 98 CO 0.02 0.52 0.60 0.00 -2.23 0.00 0.00 178.31 177.23 1u5k h ALA 99 N 0.71 1.24 -0.26 2.41 0.00 -0.83 -0.07 119.26 122.45 1u5k h ALA 99 Ca 0.03 -0.09 -0.07 0.00 0.00 0.00 0.00 54.91 54.77 1u5k h ALA 99 Cb 0.43 -0.39 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1u5k h ALA 99 CO 0.01 0.67 -0.16 0.22 0.00 0.00 0.00 179.25 179.99 1u5k h ASP 100 N 1.33 0.44 0.76 0.00 3.58 -1.30 -2.53 116.42 118.70 1u5k h ASP 100 Ca 0.35 -0.12 -0.21 0.00 0.42 0.00 0.00 57.03 57.47 1u5k h ASP 100 Cb -0.09 -0.12 -0.02 0.00 1.72 0.00 0.00 39.33 40.83 1u5k h ASP 100 CO -0.07 0.63 -0.97 0.00 -2.88 0.00 0.00 179.24 175.95 1u5k h ALA 101 N 1.42 0.41 0.21 -0.78 0.00 -0.70 -3.36 119.26 116.46 1u5k h ALA 101 Ca 0.07 -0.81 -0.33 0.00 0.00 0.00 0.00 54.91 53.84 1u5k h ALA 101 Cb 0.52 -0.10 0.04 0.00 0.00 0.00 0.00 17.79 18.26 1u5k h ALA 101 CO 0.03 1.05 -1.41 1.25 0.00 0.00 0.00 179.25 180.17 1u5k h LEU 102 N 0.05 0.85 -8.81 0.00 5.85 -0.63 -3.43 115.31 109.18 1u5k h LEU 102 Ca -0.04 -0.87 -0.65 0.00 0.84 0.00 0.00 57.88 57.15 1u5k h LEU 102 Cb 1.66 -0.27 -0.17 0.00 0.37 0.00 0.00 40.66 42.25 1u5k h LEU 102 CO 0.14 1.68 -0.35 -0.36 -0.34 0.00 0.00 178.44 179.21 1u5k s PHE 103 N -2.71 3.22 0.80 1.25 0.40 -0.99 -4.66 117.98 115.29 1u5k s PHE 103 Ca -0.09 0.08 -0.12 0.00 -0.60 0.00 0.00 56.93 56.20 1u5k s PHE 103 Cb 0.05 -2.56 0.07 0.00 0.51 0.00 0.00 43.02 41.09 1u5k s PHE 103 CO 0.94 -0.32 1.12 -0.65 0.70 0.00 0.00 175.22 177.01 1u5k s GLN 104 N 1.94 2.04 0.24 0.44 -1.52 -1.26 -4.85 119.66 116.68 1u5k s GLN 104 Ca 0.11 0.42 -0.31 0.00 -1.95 0.00 0.00 55.36 53.63 1u5k s GLN 104 Cb -0.16 -1.93 -0.13 0.00 -0.22 0.00 0.00 33.01 30.56 1u5k s GLN 104 CO 0.11 -1.60 1.45 -0.85 -0.25 0.00 0.00 175.29 174.15 1u5k n GLU 105 N -3.38 2.14 0.00 2.91 0.00 -1.26 -0.47 120.64 120.57 1u5k n GLU 105 Ca 0.07 0.76 0.00 0.00 0.00 0.00 0.00 57.16 57.99 1u5k n GLU 105 Cb 0.58 -2.45 0.00 0.00 0.00 0.00 0.00 31.44 29.57 1u5k n GLU 105 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1u5k n GLY 106 N 2.31 3.05 0.05 -1.84 0.00 -1.26 -4.90 105.19 102.61 1u5k n GLY 106 Ca 0.12 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.27 1u5k n GLY 106 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1u5k n GLU 107 N -1.98 0.12 -2.84 1.61 1.02 0.38 -4.78 120.64 114.16 1u5k n GLU 107 Ca 0.00 0.09 -0.43 0.00 -0.02 0.00 0.00 57.16 56.81 1u5k n GLU 107 Cb 0.00 -1.64 -0.04 0.00 -0.02 0.00 0.00 31.44 29.75 1u5k n GLU 107 CO 0.00 0.00 0.00 0.12 1.18 0.00 0.00 177.13 178.43 1u5k s PHE 108 N -3.05 2.70 0.59 -0.32 5.36 -1.26 -4.87 117.98 117.13 1u5k s PHE 108 Ca 0.12 -0.62 0.01 0.00 -0.96 0.00 0.00 56.93 55.48 1u5k s PHE 108 Cb 0.16 -4.32 0.06 0.00 -0.34 0.00 0.00 43.02 38.58 1u5k s PHE 108 CO 0.57 -1.66 0.83 -1.54 -1.46 0.00 0.00 175.22 171.96 1u5k s SER 109 N 3.71 5.05 0.29 6.13 1.04 -1.26 -3.29 113.70 125.36 1u5k s SER 109 Ca 0.24 -0.11 -0.02 0.00 0.48 0.00 0.00 55.95 56.54 1u5k s SER 109 Cb -0.15 -0.64 0.43 0.00 0.10 0.00 0.00 66.02 65.76 1u5k s SER 109 CO 0.08 -1.32 1.94 -0.08 0.98 0.00 0.00 173.24 174.84 1u5k h GLU 110 N -0.07 1.12 -0.69 4.02 4.81 -1.82 -0.66 114.58 121.29 1u5k h GLU 110 Ca -0.40 -0.07 -0.05 0.00 -0.13 0.00 0.00 59.36 58.71 1u5k h GLU 110 Cb 1.29 -0.25 -0.03 0.00 0.63 0.00 0.00 28.75 30.39 1u5k h GLU 110 CO 0.49 0.74 0.24 1.96 -0.73 0.00 0.00 179.01 181.72 1u5k h GLN 111 N 1.15 1.04 -0.34 1.92 7.50 -1.94 -0.84 115.11 123.60 1u5k h GLN 111 Ca 0.35 -0.20 -0.06 0.00 0.50 0.00 0.00 58.65 59.24 1u5k h GLN 111 Cb -0.03 -0.17 -0.01 0.00 0.05 0.00 0.00 27.48 27.32 1u5k h GLN 111 CO -0.10 0.87 -0.02 0.00 -1.50 0.00 0.00 178.83 178.09 1u5k h ALA 112 N 1.25 0.46 -0.38 3.87 0.00 -1.78 -1.69 119.26 120.99 1u5k h ALA 112 Ca 0.23 -0.26 0.05 0.00 0.00 0.00 0.00 54.91 54.93 1u5k h ALA 112 Cb 0.24 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.86 1u5k h ALA 112 CO -0.01 0.24 0.12 0.35 0.00 0.00 0.00 179.25 179.94 1u5k h PHE 113 N 0.41 0.20 -0.49 0.00 3.57 -0.69 0.16 116.94 120.10 1u5k h PHE 113 Ca 0.09 0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.56 1u5k h PHE 113 Cb 0.48 -0.03 -0.02 0.00 2.79 0.00 0.00 35.95 39.17 1u5k h PHE 113 CO 0.04 0.07 0.09 -0.44 -2.23 0.00 0.00 178.31 175.83 1u5k h ASP 114 N 0.26 0.78 -0.52 0.41 3.32 -0.94 -0.08 116.42 119.65 1u5k h ASP 114 Ca 0.18 -0.26 -0.03 0.00 0.02 0.00 0.00 57.03 56.94 1u5k h ASP 114 Cb 0.17 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.49 1u5k h ASP 114 CO -0.20 0.84 0.19 0.25 -1.72 0.00 0.00 179.24 178.60 1u5k h LEU 115 N 0.69 0.73 -0.23 1.55 6.46 -1.11 -1.81 115.31 121.58 1u5k h LEU 115 Ca 0.15 -0.18 0.02 0.00 -0.12 0.00 0.00 57.88 57.74 1u5k h LEU 115 Cb 0.39 -0.19 -0.02 0.00 -0.73 0.00 0.00 40.66 40.11 1u5k h LEU 115 CO 0.01 0.72 0.10 0.15 -0.62 0.00 0.00 178.44 178.80 1u5k h PHE 116 N 0.70 0.19 -0.98 1.25 3.57 -0.26 -1.67 116.94 119.75 1u5k h PHE 116 Ca 0.17 0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.72 1u5k h PHE 116 Cb 0.22 -0.05 -0.06 0.00 2.79 0.00 0.00 35.95 38.85 1u5k h PHE 116 CO 0.01 0.11 0.64 0.00 -2.23 0.00 0.00 178.31 176.84 1u5k h ALA 117 N 1.12 1.30 -0.23 2.41 0.00 -0.95 -1.53 119.26 121.38 1u5k h ALA 117 Ca 0.10 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.88 1u5k h ALA 117 Cb 0.04 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.46 1u5k h ALA 117 CO -0.07 0.53 -0.21 0.00 0.00 0.00 0.00 179.25 179.49 1u5k h ALA 118 N 1.40 1.21 -0.59 0.00 0.00 -1.14 -1.77 119.26 118.36 1u5k h ALA 118 Ca 0.39 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1u5k h ALA 118 Cb 0.01 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 1u5k h ALA 118 CO -0.13 0.51 0.32 0.66 0.00 0.00 0.00 179.25 180.61 1u5k h SER 119 N 0.38 0.75 -0.41 0.00 4.64 -0.32 0.65 113.55 119.24 1u5k h SER 119 Ca 0.06 -0.10 -0.05 0.00 -0.47 0.00 0.00 61.79 61.23 1u5k h SER 119 Cb 0.58 -0.19 -0.02 0.00 -0.31 0.00 0.00 62.40 62.47 1u5k h SER 119 CO 0.04 0.64 0.08 -0.07 -0.87 0.00 0.00 176.83 176.64 1u5k h LEU 120 N 0.81 0.64 -0.16 5.97 3.38 -0.91 -1.10 115.31 123.94 1u5k h LEU 120 Ca 0.21 -0.25 0.04 0.00 0.09 0.00 0.00 57.88 57.97 1u5k h LEU 120 Cb 0.06 -0.17 -0.05 0.00 0.09 0.00 0.00 40.66 40.60 1u5k h LEU 120 CO -0.03 0.73 -0.12 0.03 0.09 0.00 0.00 178.44 179.14 1u5k h ARG 121 N 0.53 -0.13 -0.72 1.13 3.08 -1.10 -0.26 114.38 116.91 1u5k h ARG 121 Ca 0.13 0.01 0.10 0.00 0.07 0.00 0.00 59.98 60.28 1u5k h ARG 121 Cb 0.36 0.03 -0.07 0.00 0.08 0.00 0.00 29.97 30.36 1u5k h ARG 121 CO 0.01 -0.09 0.36 0.78 -1.07 0.00 0.00 179.97 179.96 1u5k h GLY 122 N -0.13 1.08 1.70 0.04 0.00 -0.75 0.67 103.07 105.68 1u5k h GLY 122 Ca 0.10 -0.22 -0.11 0.00 0.00 0.00 0.00 47.33 47.10 1u5k h GLY 122 CO -0.24 0.05 -0.39 -2.08 0.00 0.00 0.00 176.54 173.88 1u5k h VAL 123 N 0.60 1.30 -0.04 4.60 2.07 -1.00 -0.23 116.25 123.55 1u5k h VAL 123 Ca 0.36 -1.50 -0.17 0.00 0.82 0.00 0.00 66.70 66.20 1u5k h VAL 123 Cb 0.38 1.62 -0.01 0.00 -1.52 0.00 0.00 31.29 31.76 1u5k h VAL 123 CO -0.28 0.46 -0.72 0.00 0.02 0.00 0.00 177.57 177.05 1u5k h ALA 124 N 1.31 0.70 0.00 1.67 0.00 -0.26 -3.40 119.26 119.27 1u5k h ALA 124 Ca 0.03 -0.62 -0.02 0.00 0.00 0.00 0.00 54.91 54.30 1u5k h ALA 124 Cb 0.82 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.53 1u5k h ALA 124 CO 0.07 0.80 -1.31 0.72 0.00 0.00 0.00 179.25 179.53 1u5k n HIS 125 N -3.79 0.00 -3.28 0.00 -0.00 0.16 -4.76 115.22 103.55 1u5k n HIS 125 Ca -0.03 0.00 -0.33 0.00 -0.00 0.00 0.00 57.72 57.36 1u5k n HIS 125 Cb 0.70 -0.17 -0.06 0.00 -0.00 0.00 0.00 29.99 30.46 1u5k n HIS 125 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 176.34 175.69 1u5k s GLN 126 N -2.36 3.92 0.54 -0.41 -1.52 -0.11 -5.00 119.66 114.72 1u5k s GLN 126 Ca -0.02 0.48 0.22 0.00 -1.95 0.00 0.00 55.36 54.09 1u5k s GLN 126 Cb 0.03 -2.58 1.43 0.00 -0.22 0.00 0.00 33.01 31.68 1u5k s GLN 126 CO 0.25 0.26 2.13 -1.35 -0.25 0.00 0.00 175.29 176.33 1u5k h PRO 127 N 2.52 0.00 -2.76 2.91 0.11 -1.95 -3.36 132.00 129.47 1u5k h PRO 127 Ca -0.47 0.00 -0.61 0.00 0.11 0.00 0.00 66.00 65.03 1u5k h PRO 127 Cb 1.17 0.00 -0.41 0.00 0.11 0.00 0.00 31.00 31.88 1u5k h PRO 127 CO 0.67 0.00 -0.71 -3.47 -0.21 0.00 0.00 178.00 174.28 1u5k n ASP 128 N -4.30 2.00 0.22 -2.05 -0.08 -1.26 -4.97 116.55 106.12 1u5k n ASP 128 Ca 0.00 -2.98 0.06 0.00 -1.51 0.00 0.00 54.79 50.36 1u5k n ASP 128 Cb 0.23 -0.69 0.51 0.00 2.34 0.00 0.00 41.12 43.51 1u5k n ASP 128 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 1u5k h PRO 129 N 5.29 0.00 -0.76 -0.67 0.13 -1.87 -1.86 132.00 132.25 1u5k h PRO 129 Ca 0.18 0.00 0.05 0.00 -0.87 0.00 0.00 66.00 65.36 1u5k h PRO 129 Cb 0.79 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 31.87 1u5k h PRO 129 CO 0.62 0.20 0.46 1.49 -0.23 0.00 0.00 178.00 180.54 1u5k h GLU 130 N 0.00 0.84 -0.42 0.86 4.81 -1.94 -1.27 114.58 117.46 1u5k h GLU 130 Ca -0.00 -0.05 -0.14 0.00 -0.13 0.00 0.00 59.36 59.04 1u5k h GLU 130 Cb 0.37 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.55 1u5k h GLU 130 CO 0.03 0.56 -0.28 2.35 -0.73 0.00 0.00 179.01 180.93 1u5k h TRP 131 N 0.87 1.06 -0.41 0.92 2.91 -1.79 -0.60 115.95 118.91 1u5k h TRP 131 Ca 0.32 -0.28 0.05 0.00 1.13 0.00 0.00 58.89 60.12 1u5k h TRP 131 Cb 0.11 -0.24 -0.05 0.00 -0.51 0.00 0.00 29.16 28.48 1u5k h TRP 131 CO -0.05 1.08 0.13 0.28 -1.03 0.00 0.00 178.44 178.85 1u5k h VAL 132 N 0.78 0.85 -0.52 2.65 2.07 -0.93 -1.42 116.25 119.73 1u5k h VAL 132 Ca 0.09 -0.10 -0.10 0.00 0.82 0.00 0.00 66.70 67.41 1u5k h VAL 132 Cb 0.85 0.54 -0.02 0.00 -1.52 0.00 0.00 31.29 31.14 1u5k h VAL 132 CO 0.07 0.05 -0.07 0.00 0.02 0.00 0.00 177.57 177.65 1u5k h ALA 133 N 1.28 0.71 -0.13 1.67 0.00 -0.69 -0.21 119.26 121.89 1u5k h ALA 133 Ca 0.19 -0.33 0.04 0.00 0.00 0.00 0.00 54.91 54.82 1u5k h ALA 133 Cb 0.20 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.76 1u5k h ALA 133 CO -0.21 0.59 -0.11 -0.07 0.00 0.00 0.00 179.25 179.44 1u5k h LEU 134 N 0.83 -0.36 -0.42 0.00 3.38 -0.99 0.02 115.31 117.78 1u5k h LEU 134 Ca 0.14 0.07 -0.03 0.00 0.09 0.00 0.00 57.88 58.16 1u5k h LEU 134 Cb 0.62 0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.53 1u5k h LEU 134 CO 0.04 -0.15 0.16 0.58 0.09 0.00 0.00 178.44 179.16 1u5k h VAL 135 N -0.13 1.20 -0.07 1.22 2.07 -0.97 -2.32 116.25 117.25 1u5k h VAL 135 Ca 0.09 -0.63 -0.24 0.00 0.82 0.00 0.00 66.70 66.74 1u5k h VAL 135 Cb 0.26 0.83 0.01 0.00 -1.52 0.00 0.00 31.29 30.87 1u5k h VAL 135 CO -0.21 0.23 -0.91 0.24 0.02 0.00 0.00 177.57 176.94 1u5k h MET 136 N 0.54 0.73 -0.65 1.57 2.86 -0.96 -1.19 114.93 117.83 1u5k h MET 136 Ca 0.14 -0.68 -0.02 0.00 -2.06 0.00 0.00 59.70 57.07 1u5k h MET 136 Cb 0.20 0.17 -0.03 0.00 0.06 0.00 0.00 31.60 32.00 1u5k h MET 136 CO -0.01 1.28 0.32 0.66 1.06 0.00 0.00 176.91 180.21 1u5k h SER 137 N 0.46 0.84 -0.53 1.22 4.64 -0.94 -0.34 113.55 118.90 1u5k h SER 137 Ca -0.09 -0.13 -0.11 0.00 -0.47 0.00 0.00 61.79 60.99 1u5k h SER 137 Cb 1.55 -0.22 -0.02 0.00 -0.31 0.00 0.00 62.40 63.41 1u5k h SER 137 CO 0.18 0.73 -0.11 1.88 -0.87 0.00 0.00 176.83 178.64 1u5k h TYR 138 N 0.89 1.14 -0.97 4.77 -1.99 -1.35 -2.83 116.97 116.64 1u5k h TYR 138 Ca 0.22 -0.24 0.02 0.00 2.00 0.00 0.00 58.73 60.74 1u5k h TYR 138 Cb 0.11 -0.28 -0.05 0.00 2.00 0.00 0.00 36.73 38.50 1u5k h TYR 138 CO 0.00 1.06 0.64 -0.22 -0.00 0.00 0.00 178.16 179.64 1u5k h LYS 139 N 0.89 1.24 0.00 4.88 1.63 -0.93 -1.87 116.57 122.41 1u5k h LYS 139 Ca 0.14 -0.07 -0.03 0.00 -0.85 0.00 0.00 60.65 59.84 1u5k h LYS 139 Cb 0.68 -0.28 -0.00 0.00 -0.60 0.00 0.00 32.23 32.03 1u5k h LYS 139 CO 0.05 0.82 -0.13 -0.07 -3.45 0.00 0.00 179.45 176.67 1u5k h LEU 140 N 1.27 0.00 -1.40 5.20 3.38 -0.82 -2.23 115.31 120.72 1u5k h LEU 140 Ca 0.37 0.00 0.19 0.00 0.09 0.00 0.00 57.88 58.53 1u5k h LEU 140 Cb -0.08 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 40.60 1u5k h LEU 140 CO -0.10 0.13 0.59 -0.07 0.09 0.00 0.00 178.44 179.08 1u5k h LEU 141 N 0.00 0.51 -1.15 1.67 3.38 -1.20 -1.37 115.31 117.15 1u5k h LEU 141 Ca -0.00 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1u5k h LEU 141 Cb 0.30 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.01 1u5k h LEU 141 CO 0.02 0.21 0.00 1.23 0.09 0.00 0.00 178.44 179.99 1u5k h GLY 142 N 0.51 0.00 -1.06 0.83 0.00 -1.51 -3.06 103.07 98.78 1u5k h GLY 142 Ca 0.48 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.81 1u5k h GLY 142 CO -0.21 0.00 -0.21 1.04 0.00 0.00 0.00 176.54 177.16 1u5k n LEU 143 N -2.45 2.03 0.00 3.11 4.77 -0.52 -5.01 117.00 118.93 1u5k n LEU 143 Ca 0.01 -0.86 -0.08 0.00 -0.03 0.00 0.00 56.01 55.04 1u5k n LEU 143 Cb 0.19 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.29 1u5k n LEU 143 CO 0.19 0.37 0.05 0.00 -1.33 0.00 0.00 177.39 176.67 1u5k n ALA 144 N 0.35 0.33 0.19 -1.18 0.00 -1.16 -4.91 120.51 114.13 1u5k n ALA 144 Ca 0.09 -0.75 0.08 0.00 0.00 0.00 0.00 53.44 52.85 1u5k n ALA 144 Cb 0.40 0.28 0.15 0.00 0.00 0.00 0.00 19.45 20.29 1u5k n ALA 144 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1u5k h GLY 145 N 0.17 0.00 -1.49 0.00 0.00 -1.84 -3.46 103.07 96.45 1u5k h GLY 145 Ca -0.11 0.00 -0.52 0.00 0.00 0.00 0.00 47.33 46.69 1u5k h GLY 145 CO 0.17 0.00 -0.05 3.33 0.00 0.00 0.00 176.54 180.00 1u5k n VAL 146 N -3.18 0.00 -3.91 4.60 0.24 -1.26 -5.03 118.33 109.79 1u5k n VAL 146 Ca 0.03 -0.06 -0.30 0.00 -2.04 0.00 0.00 64.34 61.96 1u5k n VAL 146 Cb 0.60 -0.87 -0.14 0.00 -1.47 0.00 0.00 33.84 31.95 1u5k n VAL 146 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 1u5k s ILE 147 N -2.56 2.10 0.46 1.34 -1.09 -1.26 -4.94 121.20 115.25 1u5k s ILE 147 Ca 0.64 -2.66 -0.24 0.00 -2.23 0.00 0.00 60.65 56.16 1u5k s ILE 147 Cb -0.22 -2.50 -0.07 0.00 -1.58 0.00 0.00 42.46 38.08 1u5k s ILE 147 CO 0.61 -0.73 1.34 -2.84 -1.23 0.00 0.00 174.94 172.09 1u5k s PRO 148 N 0.43 3.64 -0.33 2.79 0.02 -1.26 -5.00 135.00 135.28 1u5k s PRO 148 Ca 0.14 2.21 0.05 0.00 0.02 0.00 0.00 61.00 63.42 1u5k s PRO 148 Cb -0.22 -2.55 0.18 0.00 0.02 0.00 0.00 34.50 31.92 1u5k s PRO 148 CO -0.05 -0.78 0.51 -1.14 -0.33 0.00 0.00 177.00 175.20 1u5k s GLN 149 N -2.54 0.57 0.00 5.54 -0.44 -1.26 -5.02 119.66 116.52 1u5k s GLN 149 Ca 0.63 0.05 0.09 0.00 -2.50 0.00 0.00 55.36 53.62 1u5k s GLN 149 Cb -0.39 -0.10 0.02 0.00 -1.64 0.00 0.00 33.01 30.90 1u5k s GLN 149 CO 0.49 -1.09 0.66 0.25 0.50 0.00 0.00 175.29 176.10 1u5k n THR 150 N 5.03 0.00 0.17 -0.34 -2.24 -1.26 -4.53 114.28 111.10 1u5k n THR 150 Ca 0.06 -0.44 0.06 0.00 -2.27 0.00 0.00 64.05 61.46 1u5k n THR 150 Cb 0.52 1.14 0.08 0.00 -2.10 0.00 0.00 70.33 69.96 1u5k n THR 150 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1u5k h ALA 151 N 1.64 0.80 -3.32 6.98 0.00 -1.95 -3.40 119.26 120.00 1u5k h ALA 151 Ca 0.00 -0.28 -0.26 0.00 0.00 0.00 0.00 54.91 54.37 1u5k h ALA 151 Cb 0.33 -0.04 -0.23 0.00 0.00 0.00 0.00 17.79 17.85 1u5k h ALA 151 CO 0.00 0.37 -0.73 1.03 0.00 0.00 0.00 179.25 179.92 1u5k s ARG 152 N -3.07 0.43 0.21 0.00 0.52 -1.26 -0.68 118.95 115.09 1u5k s ARG 152 Ca 0.05 -0.56 -0.32 0.00 -0.52 0.00 0.00 55.73 54.37 1u5k s ARG 152 Cb 0.07 -0.22 -0.14 0.00 0.52 0.00 0.00 34.95 35.19 1u5k s ARG 152 CO 0.72 0.04 1.48 0.00 0.02 0.00 0.00 175.30 177.55 1u5k h ALA 154 N 4.88 1.00 0.00 0.00 0.00 -1.47 -1.64 119.26 122.03 1u5k h ALA 154 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1u5k h ALA 154 Cb 1.27 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1u5k h ALA 154 CO 0.81 0.00 -0.90 -2.13 0.00 0.00 0.00 179.25 177.03 1u5k n ARG 155 N -2.66 0.50 -0.01 0.00 0.63 -1.26 -4.79 116.66 109.07 1u5k n ARG 155 Ca 0.00 0.25 0.10 0.00 -0.92 0.00 0.00 57.85 57.29 1u5k n ARG 155 Cb 0.21 -1.43 -0.15 0.00 0.45 0.00 0.00 32.46 31.54 1u5k n ARG 155 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1u5k n GLY 157 N 1.38 0.65 3.68 0.00 0.00 -0.62 -4.97 105.19 105.31 1u5k n GLY 157 Ca -0.00 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.58 1u5k n GLY 157 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u5k n ALA 158 N -1.26 1.18 -1.77 4.61 0.00 -1.26 -4.17 120.51 117.84 1u5k n ALA 158 Ca 0.00 0.39 -0.39 0.00 0.00 0.00 0.00 53.44 53.44 1u5k n ALA 158 Cb 0.00 -2.26 0.00 0.00 0.00 0.00 0.00 19.45 17.19 1u5k n ALA 158 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1u5k s PRO 159 N -1.12 3.84 -1.16 0.00 0.04 -1.26 -0.16 135.00 135.18 1u5k s PRO 159 Ca 0.62 2.15 -0.02 0.00 0.04 0.00 0.00 61.00 63.79 1u5k s PRO 159 Cb -0.61 -2.67 -0.02 0.00 0.04 0.00 0.00 34.50 31.24 1u5k s PRO 159 CO 0.56 -0.59 0.95 -0.25 0.04 0.00 0.00 177.00 177.70 1u5k n ASP 160 N -0.07 -3.55 -4.76 6.66 8.00 0.14 -4.85 116.55 118.12 1u5k n ASP 160 Ca 0.05 -0.67 -0.37 0.00 0.71 0.00 0.00 54.79 54.50 1u5k n ASP 160 Cb 0.44 -5.04 0.02 0.00 -0.02 0.00 0.00 41.12 36.52 1u5k n ASP 160 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 1u5k s PRO 161 N -5.10 3.28 0.00 -0.24 0.04 -1.26 -4.96 135.00 126.77 1u5k s PRO 161 Ca 0.16 1.96 0.00 0.00 0.04 0.00 0.00 61.00 63.17 1u5k s PRO 161 Cb -0.02 -2.20 0.00 0.00 0.04 0.00 0.00 34.50 32.31 1u5k s PRO 161 CO 0.74 -0.99 0.64 0.39 0.04 0.00 0.00 177.00 177.82 1u5k n GLU 162 N -1.03 0.35 -4.32 4.56 1.02 -1.15 -4.82 120.64 115.25 1u5k n GLU 162 Ca 0.10 -0.80 -0.26 0.00 -0.02 0.00 0.00 57.16 56.19 1u5k n GLU 162 Cb 0.47 -0.97 -0.09 0.00 -0.02 0.00 0.00 31.44 30.83 1u5k n GLU 162 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 1u5k s HIS 163 N -0.32 2.58 0.59 -0.32 3.76 -0.26 -1.08 115.29 120.23 1u5k s HIS 163 Ca 0.00 -0.25 -0.20 0.00 -0.15 0.00 0.00 55.06 54.46 1u5k s HIS 163 Cb 0.00 -1.22 -0.03 0.00 1.11 0.00 0.00 32.58 32.44 1u5k s HIS 163 CO 0.00 0.56 1.32 -2.14 -0.85 0.00 0.00 174.74 173.63 1u5k s PRO 164 N -3.08 2.92 -0.54 8.40 0.02 -1.26 -0.66 135.00 140.80 1u5k s PRO 164 Ca 0.27 2.12 0.02 0.00 0.02 0.00 0.00 61.00 63.43 1u5k s PRO 164 Cb -0.08 -2.07 0.14 0.00 0.02 0.00 0.00 34.50 32.50 1u5k s PRO 164 CO 0.16 -1.33 0.29 0.34 -0.33 0.00 0.00 177.00 176.13 1u5k s ASP 165 N -1.19 4.55 0.54 2.53 2.15 -1.24 -4.27 116.67 119.75 1u5k s ASP 165 Ca 0.76 -2.94 0.32 0.00 0.43 0.00 0.00 52.55 51.12 1u5k s ASP 165 Cb -0.38 -1.69 1.50 0.00 -0.30 0.00 0.00 42.92 42.05 1u5k s ASP 165 CO 0.43 -0.27 2.05 1.55 -0.17 0.00 0.00 175.17 178.76 1u5k h PRO 166 N 6.67 0.00 0.19 4.34 0.13 -1.94 -1.10 132.00 140.29 1u5k h PRO 166 Ca -0.06 0.00 -0.32 0.00 -0.87 0.00 0.00 66.00 64.75 1u5k h PRO 166 Cb 0.91 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.06 1u5k h PRO 166 CO 0.69 0.08 -1.55 -0.07 -0.23 0.00 0.00 178.00 176.91 1u5k h LEU 167 N 0.00 0.61 -0.05 1.56 3.38 -1.99 -3.41 115.31 115.41 1u5k h LEU 167 Ca -0.00 -0.92 0.00 0.00 0.09 0.00 0.00 57.88 57.05 1u5k h LEU 167 Cb 0.41 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.96 1u5k h LEU 167 CO 0.01 1.71 -0.13 0.61 0.09 0.00 0.00 178.44 180.73 1u5k n GLY 168 N 1.79 0.63 2.33 0.83 0.00 -1.23 -4.97 105.19 104.58 1u5k n GLY 168 Ca -0.22 -0.08 -0.12 0.00 0.00 0.00 0.00 46.02 45.59 1u5k n GLY 168 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1u5k n GLY 169 N 1.03 1.16 0.00 -0.02 0.00 -0.42 -4.22 105.19 102.72 1u5k n GLY 169 Ca 0.01 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.56 1u5k n GLY 169 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1u5k n GLN 170 N -2.60 0.78 -4.05 1.61 6.02 -1.26 -4.34 117.38 113.54 1u5k n GLN 170 Ca -0.12 0.00 -0.12 0.00 -0.01 0.00 0.00 57.00 56.74 1u5k n GLN 170 Cb 0.41 0.00 -0.12 0.00 1.02 0.00 0.00 30.24 31.56 1u5k n GLN 170 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1u5k s LEU 171 N 0.00 2.23 0.14 1.08 1.43 -1.26 -3.62 118.68 118.67 1u5k s LEU 171 Ca 0.00 -0.49 0.10 0.00 -1.03 0.00 0.00 54.13 52.71 1u5k s LEU 171 Cb 0.00 -0.12 -0.04 0.00 0.03 0.00 0.00 46.19 46.06 1u5k s LEU 171 CO 0.00 -0.20 -0.22 -0.76 0.23 0.00 0.00 176.35 175.40 1u5k s LEU 172 N -1.40 2.52 0.86 1.79 1.43 0.17 -1.11 118.68 122.94 1u5k s LEU 172 Ca -0.10 -0.69 -0.12 0.00 -1.03 0.00 0.00 54.13 52.19 1u5k s LEU 172 Cb -0.09 -1.36 0.11 0.00 0.03 0.00 0.00 46.19 44.88 1u5k s LEU 172 CO 0.00 0.16 1.15 0.00 0.23 0.00 0.00 176.35 177.90 1u5k h SER 174 N -1.26 0.00 0.84 0.00 4.64 -1.96 -1.28 113.55 114.52 1u5k h SER 174 Ca -0.48 0.00 -0.24 0.00 -0.47 0.00 0.00 61.79 60.60 1u5k h SER 174 Cb 1.33 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.39 1u5k h SER 174 CO 0.64 0.02 -1.16 0.11 -0.87 0.00 0.00 176.83 175.56 1u5k h LYS 175 N 0.00 0.07 0.00 4.77 1.79 -2.01 -3.30 116.57 117.89 1u5k h LYS 175 Ca -0.00 -0.12 0.00 0.00 -2.18 0.00 0.00 60.65 58.35 1u5k h LYS 175 Cb 0.04 0.04 0.00 0.00 -1.58 0.00 0.00 32.23 30.73 1u5k h LYS 175 CO 0.00 1.00 -0.78 0.00 -1.08 0.00 0.00 179.45 178.59 1u5k s ALA 177 N -3.23 3.55 -1.08 0.00 0.00 -0.55 -4.96 121.76 115.49 1u5k s ALA 177 Ca 0.04 -0.13 0.10 0.00 0.00 0.00 0.00 51.96 51.97 1u5k s ALA 177 Cb 0.12 -2.54 0.04 0.00 0.00 0.00 0.00 23.12 20.74 1u5k s ALA 177 CO 0.75 0.45 0.72 0.00 0.00 0.00 0.00 175.76 177.68 1u5k n ALA 178 N 0.52 2.65 -2.65 0.00 0.00 -1.26 -4.95 120.51 114.81 1u5k n ALA 178 Ca -0.03 -0.50 -0.26 0.00 0.00 0.00 0.00 53.44 52.65 1u5k n ALA 178 Cb 0.52 -0.34 -0.08 0.00 0.00 0.00 0.00 19.45 19.55 1u5k n ALA 178 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1u5k s LEU 179 N -1.24 3.27 0.87 0.00 1.43 -1.26 -5.13 118.68 116.62 1u5k s LEU 179 Ca 0.10 -0.45 -0.10 0.00 -1.03 0.00 0.00 54.13 52.65 1u5k s LEU 179 Cb 0.08 -1.91 0.12 0.00 0.03 0.00 0.00 46.19 44.51 1u5k s LEU 179 CO 0.19 0.08 1.12 -2.16 0.23 0.00 0.00 176.35 175.81 1u5k s PRO 180 N -3.05 1.40 0.62 1.29 0.04 -1.26 -4.77 135.00 129.27 1u5k s PRO 180 Ca 0.28 1.38 -0.18 0.00 0.04 0.00 0.00 61.00 62.53 1u5k s PRO 180 Cb -0.09 -1.78 -0.02 0.00 0.04 0.00 0.00 34.50 32.65 1u5k s PRO 180 CO 0.18 -2.31 1.18 -1.25 0.04 0.00 0.00 177.00 174.84 1u5k s PRO 181 N -4.74 2.87 0.48 0.56 0.04 -1.26 -4.47 135.00 128.48 1u5k s PRO 181 Ca 0.65 1.71 -0.24 0.00 0.04 0.00 0.00 61.00 63.16 1u5k s PRO 181 Cb -0.21 -1.93 -0.07 0.00 0.04 0.00 0.00 34.50 32.33 1u5k s PRO 181 CO 0.57 -1.26 1.40 0.71 0.04 0.00 0.00 177.00 178.47 1u5k s TYR 182 N -1.80 2.43 0.81 0.56 4.12 -0.24 -4.96 117.35 118.26 1u5k s TYR 182 Ca 0.74 1.30 -0.11 0.00 0.02 0.00 0.00 57.07 59.03 1u5k s TYR 182 Cb -0.28 -3.87 0.08 0.00 -1.52 0.00 0.00 41.96 36.38 1u5k s TYR 182 CO 0.35 -2.87 1.12 -1.25 0.02 0.00 0.00 175.55 172.92 1u5k s PRO 183 N -2.58 1.88 0.27 -1.71 0.04 -1.26 -4.70 135.00 126.95 1u5k s PRO 183 Ca 0.64 1.34 0.00 0.00 0.04 0.00 0.00 61.00 63.02 1u5k s PRO 183 Cb -0.42 -1.84 0.52 0.00 0.04 0.00 0.00 34.50 32.79 1u5k s PRO 183 CO 0.53 -1.95 1.83 -1.35 0.04 0.00 0.00 177.00 176.10 1u5k h PRO 184 N -1.26 0.94 -0.09 0.56 0.11 -1.99 -1.25 132.00 129.02 1u5k h PRO 184 Ca -0.44 -0.06 -0.16 0.00 0.11 0.00 0.00 66.00 65.45 1u5k h PRO 184 Cb 1.25 -0.21 -0.01 0.00 0.11 0.00 0.00 31.00 32.14 1u5k h PRO 184 CO 0.48 0.62 -0.65 0.00 -0.21 0.00 0.00 178.00 178.24 1u5k h ALA 185 N 1.52 0.72 -0.31 -0.75 0.00 -1.99 -1.31 119.26 117.14 1u5k h ALA 185 Ca 0.48 -0.57 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 1u5k h ALA 185 Cb 0.45 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1u5k h ALA 185 CO -0.26 0.74 0.13 0.28 0.00 0.00 0.00 179.25 180.14 1u5k h VAL 186 N 0.24 1.18 -0.79 0.00 2.07 -1.74 -1.87 116.25 115.35 1u5k h VAL 186 Ca -0.01 -0.54 -0.01 0.00 0.82 0.00 0.00 66.70 66.96 1u5k h VAL 186 Cb 1.19 0.96 -0.04 0.00 -1.52 0.00 0.00 31.29 31.89 1u5k h VAL 186 CO 0.11 0.19 0.46 -0.07 0.02 0.00 0.00 177.57 178.28 1u5k h LEU 187 N 0.35 0.96 -0.52 2.57 3.38 -1.16 -0.28 115.31 120.60 1u5k h LEU 187 Ca 0.10 -0.07 -0.06 0.00 0.09 0.00 0.00 57.88 57.93 1u5k h LEU 187 Cb 0.18 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 1u5k h LEU 187 CO -0.01 0.75 0.08 -0.78 0.09 0.00 0.00 178.44 178.57 1u5k h ASP 188 N 1.08 0.84 0.26 -0.43 1.82 -1.12 -1.01 116.42 117.87 1u5k h ASP 188 Ca 0.28 -0.27 -0.01 0.00 -0.39 0.00 0.00 57.03 56.65 1u5k h ASP 188 Cb -0.02 -0.22 -0.00 0.00 0.68 0.00 0.00 39.33 39.76 1u5k h ASP 188 CO -0.05 0.89 -0.17 0.15 -1.61 0.00 0.00 179.24 178.46 1u5k h PHE 189 N 0.76 -0.43 -0.91 0.28 3.57 -0.88 -2.69 116.94 116.63 1u5k h PHE 189 Ca 0.16 -0.00 0.08 0.00 3.53 0.00 0.00 57.97 61.73 1u5k h PHE 189 Cb 0.42 0.16 -0.06 0.00 2.79 0.00 0.00 35.95 39.25 1u5k h PHE 189 CO 0.03 -0.26 0.59 -0.07 -2.23 0.00 0.00 178.31 176.37 1u5k h LEU 190 N -0.42 0.88 -0.56 0.59 3.38 -0.85 0.21 115.31 118.55 1u5k h LEU 190 Ca -0.02 0.01 -0.05 0.00 0.09 0.00 0.00 57.88 57.91 1u5k h LEU 190 Cb 0.35 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 1u5k h LEU 190 CO 0.02 0.55 -0.23 0.03 0.09 0.00 0.00 178.44 178.90 1u5k h ARG 191 N 0.99 0.00 0.00 1.13 3.08 -1.11 -3.37 114.38 115.10 1u5k h ARG 191 Ca 0.40 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.45 1u5k h ARG 191 Cb 0.27 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.32 1u5k h ARG 191 CO -0.16 0.23 0.00 0.72 -1.07 0.00 0.00 179.97 179.69 1u5k n HIS 192 N -3.24 0.00 -0.07 3.04 8.25 -0.93 -4.81 115.22 117.46 1u5k n HIS 192 Ca 0.02 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.48 1u5k n HIS 192 Cb 0.53 0.00 0.29 0.00 1.12 0.00 0.00 29.99 31.93 1u5k n HIS 192 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1u5k h ALA 193 N 0.00 1.42 -0.49 -1.41 0.00 -0.77 -0.06 119.26 117.95 1u5k h ALA 193 Ca 0.00 -0.14 -0.09 0.00 0.00 0.00 0.00 54.91 54.68 1u5k h ALA 193 Cb 0.04 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 1u5k h ALA 193 CO 0.00 0.44 -0.07 0.28 0.00 0.00 0.00 179.25 179.90 1u5k h VAL 194 N 0.67 1.26 0.10 0.00 2.07 -1.83 -3.34 116.25 115.18 1u5k h VAL 194 Ca 0.16 -1.15 -0.36 0.00 0.82 0.00 0.00 66.70 66.17 1u5k h VAL 194 Cb 0.17 0.96 -0.03 0.00 -1.52 0.00 0.00 31.29 30.87 1u5k h VAL 194 CO -0.01 0.40 -1.99 -1.14 0.02 0.00 0.00 177.57 174.85 1u5k n ARG 195 N -4.17 0.73 -1.75 1.57 0.63 -0.84 -4.84 116.66 107.99 1u5k n ARG 195 Ca 0.02 0.26 -0.40 0.00 -0.92 0.00 0.00 57.85 56.80 1u5k n ARG 195 Cb 0.36 -1.71 0.02 0.00 0.45 0.00 0.00 32.46 31.58 1u5k n ARG 195 CO 0.00 0.00 0.00 -2.13 -2.51 0.00 0.00 177.63 172.99 1u5k n ARG 196 N -3.40 2.19 -1.79 -0.14 0.63 -0.10 -4.95 116.66 109.11 1u5k n ARG 196 Ca -0.31 0.78 -0.37 0.00 -0.92 0.00 0.00 57.85 57.04 1u5k n ARG 196 Cb 1.05 -2.59 0.06 0.00 0.45 0.00 0.00 32.46 31.43 1u5k n ARG 196 CO 0.00 0.00 0.00 0.95 -2.51 0.00 0.00 177.63 176.07 1u5k s THR 197 N -1.19 2.13 0.31 5.15 -4.23 -1.26 -4.87 115.64 111.67 1u5k s THR 197 Ca 0.61 0.08 0.04 0.00 -1.18 0.00 0.00 61.69 61.24 1u5k s THR 197 Cb -0.46 -3.03 0.11 0.00 1.34 0.00 0.00 72.50 70.46 1u5k s THR 197 CO 0.57 -0.02 1.80 -0.37 -0.54 0.00 0.00 174.62 176.06 1u5k h VAL 198 N 0.62 1.23 -0.09 2.29 -1.51 -1.93 -2.05 116.25 114.81 1u5k h VAL 198 Ca -0.51 -1.05 0.03 0.00 -1.23 0.00 0.00 66.70 63.94 1u5k h VAL 198 Cb 1.33 1.19 -0.03 0.00 -2.13 0.00 0.00 31.29 31.65 1u5k h VAL 198 CO 0.54 0.34 -0.08 -0.09 -1.23 0.00 0.00 177.57 177.04 1u5k h ARG 199 N 0.44 -0.09 -0.55 5.19 2.43 -2.00 -0.53 114.38 119.26 1u5k h ARG 199 Ca 0.08 0.01 0.09 0.00 -0.81 0.00 0.00 59.98 59.34 1u5k h ARG 199 Cb 0.52 0.02 -0.07 0.00 -0.42 0.00 0.00 29.97 30.02 1u5k h ARG 199 CO 0.03 -0.06 0.18 0.00 -1.51 0.00 0.00 179.97 178.61 1u5k h ALA 200 N 0.98 0.68 -0.51 2.80 0.00 -1.87 -2.68 119.26 118.65 1u5k h ALA 200 Ca 0.06 0.09 -0.07 0.00 0.00 0.00 0.00 54.91 54.99 1u5k h ALA 200 Cb 0.19 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 1u5k h ALA 200 CO -0.15 -0.23 0.04 0.77 0.00 0.00 0.00 179.25 179.68 1u5k h SER 201 N 0.34 0.79 -0.01 0.00 0.02 -1.04 -2.63 113.55 111.02 1u5k h SER 201 Ca 0.28 -0.18 0.00 0.00 -0.84 0.00 0.00 61.79 61.05 1u5k h SER 201 Cb 0.34 -0.21 -0.00 0.00 0.14 0.00 0.00 62.40 62.67 1u5k h SER 201 CO -0.30 0.83 0.01 -0.26 -1.14 0.00 0.00 176.83 175.97 1u5k h PHE 202 N 0.78 0.00 0.00 3.45 0.05 -0.76 -1.33 116.94 119.14 1u5k h PHE 202 Ca 0.16 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.95 1u5k h PHE 202 Cb 0.41 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.36 1u5k h PHE 202 CO 0.02 0.00 -0.23 1.05 -0.18 0.00 0.00 178.31 178.98 1u5k h GLU 203 N 0.00 0.00 -2.28 1.51 4.11 -1.35 -3.37 114.58 113.19 1u5k h GLU 203 Ca 0.01 0.00 -0.62 0.00 0.07 0.00 0.00 59.36 58.82 1u5k h GLU 203 Cb 0.03 0.00 -0.40 0.00 0.50 0.00 0.00 28.75 28.88 1u5k h GLU 203 CO -0.00 0.00 -0.42 1.04 0.07 0.00 0.00 179.01 179.70 1u5k n GLN 204 N -2.58 3.35 -1.83 1.06 6.02 -0.50 -5.08 117.38 117.82 1u5k n GLN 204 Ca 0.04 -4.80 -0.39 0.00 -0.01 0.00 0.00 57.00 51.84 1u5k n GLN 204 Cb 0.48 -2.28 0.02 0.00 1.02 0.00 0.00 30.24 29.49 1u5k n GLN 204 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 1u5k s PRO 205 N -3.33 3.54 0.13 -1.09 0.04 -1.25 -4.98 135.00 128.05 1u5k s PRO 205 Ca 0.46 2.32 -0.23 0.00 0.04 0.00 0.00 61.00 63.58 1u5k s PRO 205 Cb 0.24 -2.53 -0.07 0.00 0.04 0.00 0.00 34.50 32.17 1u5k s PRO 205 CO -0.10 -0.90 0.71 0.08 0.04 0.00 0.00 177.00 176.83 1u5k s VAL 206 N -1.25 4.50 0.70 -0.36 1.01 -1.26 -5.03 120.40 118.71 1u5k s VAL 206 Ca 0.64 1.55 -0.16 0.00 0.00 0.00 0.00 61.98 64.01 1u5k s VAL 206 Cb -0.42 -4.06 0.02 0.00 0.00 0.00 0.00 36.38 31.92 1u5k s VAL 206 CO 0.52 0.52 1.24 -2.84 0.00 0.00 0.00 175.10 174.55 1u5k s PRO 207 N -1.07 2.27 0.41 2.72 0.02 -1.26 -4.85 135.00 133.24 1u5k s PRO 207 Ca 0.34 1.88 0.09 0.00 0.02 0.00 0.00 61.00 63.32 1u5k s PRO 207 Cb -0.22 -1.83 0.89 0.00 0.02 0.00 0.00 34.50 33.36 1u5k s PRO 207 CO 0.24 -1.77 2.02 1.03 -0.33 0.00 0.00 177.00 178.20 1u5k h SER 208 N 0.00 0.47 -0.22 2.53 0.87 -2.01 0.15 113.55 115.34 1u5k h SER 208 Ca -0.49 -0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.04 1u5k h SER 208 Cb 1.31 -0.11 -0.02 0.00 -0.44 0.00 0.00 62.40 63.15 1u5k h SER 208 CO 0.51 0.32 0.06 0.00 -0.53 0.00 0.00 176.83 177.19 1u5k h ALA 209 N 1.71 1.56 -0.01 6.23 0.00 -2.05 -2.57 119.26 124.14 1u5k h ALA 209 Ca 0.21 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1u5k h ALA 209 Cb 0.15 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1u5k h ALA 209 CO -0.05 0.33 -0.08 -0.25 0.00 0.00 0.00 179.25 179.20 1u5k n ASP 210 N -4.37 1.06 0.04 0.00 8.00 0.04 -4.43 116.55 116.89 1u5k n ASP 210 Ca 0.01 -1.15 -0.17 0.00 0.71 0.00 0.00 54.79 54.19 1u5k n ASP 210 Cb 0.17 0.02 -0.08 0.00 -0.02 0.00 0.00 41.12 41.22 1u5k n ASP 210 CO 0.00 0.00 0.00 0.03 -0.39 0.00 0.00 177.20 176.84 1u5k h ARG 211 N 1.53 0.63 -0.99 -1.24 3.08 -1.40 -3.16 114.38 112.82 1u5k h ARG 211 Ca 0.00 -0.63 0.20 0.00 0.07 0.00 0.00 59.98 59.61 1u5k h ARG 211 Cb 0.42 0.17 -0.10 0.00 0.08 0.00 0.00 29.97 30.54 1u5k h ARG 211 CO 0.00 1.24 0.62 -1.35 -1.07 0.00 0.00 179.97 179.40 1u5k h PRO 212 N 0.37 0.66 -0.68 0.04 0.11 -1.77 0.14 132.00 130.87 1u5k h PRO 212 Ca -0.10 -0.04 0.05 0.00 0.11 0.00 0.00 66.00 66.02 1u5k h PRO 212 Cb 1.60 -0.15 -0.05 0.00 0.11 0.00 0.00 31.00 32.51 1u5k h PRO 212 CO 0.18 0.44 0.39 0.00 -0.21 0.00 0.00 178.00 178.81 1u5k h ALA 213 N 1.64 0.91 -0.53 -0.75 0.00 -1.86 -0.20 119.26 118.47 1u5k h ALA 213 Ca 0.57 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.44 1u5k h ALA 213 Cb 0.99 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.60 1u5k h ALA 213 CO -0.35 0.10 0.17 -0.07 0.00 0.00 0.00 179.25 179.10 1u5k h LEU 214 N 0.74 0.77 -0.68 0.00 3.38 -1.07 -1.80 115.31 116.65 1u5k h LEU 214 Ca 0.30 -0.20 -0.08 0.00 0.09 0.00 0.00 57.88 57.99 1u5k h LEU 214 Cb 0.14 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.67 1u5k h LEU 214 CO -0.16 0.77 0.12 -0.50 0.09 0.00 0.00 178.44 178.75 1u5k h TRP 215 N 0.73 1.19 -0.45 1.13 4.06 -0.94 -2.45 115.95 119.22 1u5k h TRP 215 Ca 0.17 -0.16 -0.07 0.00 2.06 0.00 0.00 58.89 60.89 1u5k h TRP 215 Cb 0.27 -0.33 -0.02 0.00 -1.00 0.00 0.00 29.16 28.09 1u5k h TRP 215 CO 0.02 0.99 -0.00 0.00 -3.56 0.00 0.00 178.44 175.88 1u5k h ARG 216 N 1.04 0.79 -0.49 0.49 3.08 -0.87 -1.68 114.38 116.74 1u5k h ARG 216 Ca 0.21 -0.25 -0.06 0.00 0.07 0.00 0.00 59.98 59.95 1u5k h ARG 216 Cb 0.43 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.39 1u5k h ARG 216 CO 0.01 0.85 0.09 0.00 -1.07 0.00 0.00 179.97 179.85 1u5k h ALA 217 N 0.91 0.66 -0.39 0.04 0.00 -1.28 -1.64 119.26 117.56 1u5k h ALA 217 Ca 0.13 -0.23 0.04 0.00 0.00 0.00 0.00 54.91 54.84 1u5k h ALA 217 Cb 0.50 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.06 1u5k h ALA 217 CO 0.02 0.38 0.18 1.25 0.00 0.00 0.00 179.25 181.08 1u5k h LEU 218 N 0.69 0.24 -0.29 0.00 5.85 -1.27 -0.64 115.31 119.88 1u5k h LEU 218 Ca 0.15 0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.89 1u5k h LEU 218 Cb 0.39 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.39 1u5k h LEU 218 CO 0.01 0.18 0.13 -0.33 -0.34 0.00 0.00 178.44 178.08 1u5k h GLU 219 N 0.36 0.43 0.09 1.25 5.08 -0.96 -1.17 114.58 119.66 1u5k h GLU 219 Ca 0.17 -0.07 -0.00 0.00 -1.00 0.00 0.00 59.36 58.46 1u5k h GLU 219 Cb 0.11 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.29 1u5k h GLU 219 CO -0.14 0.43 -0.04 -0.22 -1.00 0.00 0.00 179.01 178.03 1u5k h LYS 220 N 0.33 -0.12 -0.08 2.33 1.63 -1.16 -2.17 116.57 117.33 1u5k h LYS 220 Ca 0.10 0.01 0.03 0.00 -0.85 0.00 0.00 60.65 59.94 1u5k h LYS 220 Cb 0.15 0.03 -0.03 0.00 -0.60 0.00 0.00 32.23 31.77 1u5k h LYS 220 CO -0.01 0.10 -0.11 0.35 -3.45 0.00 0.00 179.45 176.33 1u5k h PHE 221 N -0.32 -0.27 -0.45 1.91 3.57 -1.06 -0.37 116.94 119.96 1u5k h PHE 221 Ca -0.01 0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.46 1u5k h PHE 221 Cb 0.27 0.13 -0.02 0.00 2.79 0.00 0.00 35.95 39.12 1u5k h PHE 221 CO -0.01 -0.16 0.12 0.28 -2.23 0.00 0.00 178.31 176.31 1u5k h VAL 222 N -0.15 1.23 -0.50 1.41 2.07 -1.21 -0.51 116.25 118.59 1u5k h VAL 222 Ca 0.07 -0.78 -0.09 0.00 0.82 0.00 0.00 66.70 66.72 1u5k h VAL 222 Cb 0.24 0.89 -0.02 0.00 -1.52 0.00 0.00 31.29 30.89 1u5k h VAL 222 CO -0.17 0.28 -0.03 0.74 0.02 0.00 0.00 177.57 178.41 1u5k h THR 223 N 0.59 1.25 -0.23 2.57 2.02 -1.30 0.13 112.91 117.94 1u5k h THR 223 Ca 0.14 -1.09 -0.20 0.00 0.77 0.00 0.00 66.41 66.03 1u5k h THR 223 Cb 0.30 0.90 0.01 0.00 -1.74 0.00 0.00 68.15 67.61 1u5k h THR 223 CO -0.00 0.39 -0.65 0.58 0.37 0.00 0.00 175.52 176.21 1u5k h VAL 224 N 0.80 1.27 0.07 3.16 2.07 -0.84 -3.35 116.25 119.42 1u5k h VAL 224 Ca 0.15 -1.83 -0.26 0.00 0.82 0.00 0.00 66.70 65.57 1u5k h VAL 224 Cb 0.52 1.78 -0.02 0.00 -1.52 0.00 0.00 31.29 32.06 1u5k h VAL 224 CO 0.03 0.59 -1.26 1.56 0.02 0.00 0.00 177.57 178.51 1u5k h GLN 225 N 0.61 0.15 -5.37 1.57 1.08 -0.89 -3.45 115.11 108.81 1u5k h GLN 225 Ca -0.02 -0.25 -0.67 0.00 -1.45 0.00 0.00 58.65 56.27 1u5k h GLN 225 Cb 1.27 0.09 -0.30 0.00 -0.05 0.00 0.00 27.48 28.49 1u5k h GLN 225 CO 0.14 1.05 -0.82 0.08 -0.95 0.00 0.00 178.83 178.33 1u5k s VAL 226 N -2.66 2.55 0.75 -0.54 1.01 0.45 -4.88 120.40 117.07 1u5k s VAL 226 Ca -0.03 -0.85 -0.15 0.00 0.00 0.00 0.00 61.98 60.95 1u5k s VAL 226 Cb 0.08 -2.03 0.05 0.00 0.00 0.00 0.00 36.38 34.48 1u5k s VAL 226 CO 0.85 0.54 1.23 -0.83 0.00 0.00 0.00 175.10 176.90 1u5k s GLY 227 N 0.31 2.40 0.00 4.51 0.00 -1.26 -4.56 107.32 108.72 1u5k s GLY 227 Ca -0.14 0.96 0.00 0.00 0.00 0.00 0.00 44.72 45.54 1u5k s GLY 227 CO 0.07 1.38 0.00 0.61 0.00 0.00 0.00 173.10 175.16 1u5k n GLY 228 N 0.59 0.84 0.09 0.20 0.00 -1.26 -4.88 105.19 100.77 1u5k n GLY 228 Ca 0.14 -2.01 0.00 0.00 0.00 0.00 0.00 46.02 44.16 1u5k n GLY 228 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1u5k n VAL 229 N 5.66 1.07 -3.80 1.61 0.24 -1.26 -4.98 118.33 116.87 1u5k n VAL 229 Ca 0.00 -0.68 -0.23 0.00 -2.04 0.00 0.00 64.34 61.38 1u5k n VAL 229 Cb 0.00 -0.62 0.01 0.00 -1.47 0.00 0.00 33.84 31.76 1u5k n VAL 229 CO 0.00 0.00 0.00 1.41 -2.14 0.00 0.00 176.83 176.10 1u5k n HIS 230 N -2.81 -1.85 0.32 6.34 -0.00 -1.26 -4.84 115.22 111.12 1u5k n HIS 230 Ca -0.11 0.82 0.21 0.00 -0.00 0.00 0.00 57.72 58.64 1u5k n HIS 230 Cb 0.83 -4.14 1.07 0.00 -0.00 0.00 0.00 29.99 27.75 1u5k n HIS 230 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.34 177.00 1u5k h SER 231 N -1.87 0.00 -0.01 0.41 4.64 -1.95 -2.65 113.55 112.12 1u5k h SER 231 Ca -0.61 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.71 1u5k h SER 231 Cb 1.37 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.45 1u5k h SER 231 CO 0.59 0.00 0.09 4.11 -0.87 0.00 0.00 176.83 180.75 1u5k h TRP 232 N 0.00 0.00 0.00 4.77 5.08 -1.88 -1.73 115.95 122.19 1u5k h TRP 232 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.97 1u5k h TRP 232 Cb 0.14 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.30 1u5k h TRP 232 CO 0.00 0.00 0.00 0.00 -1.28 0.00 0.00 178.44 177.16 1u5k h ARG 233 N 0.00 0.00 -0.19 0.12 3.08 -1.84 -1.30 114.38 114.25 1u5k h ARG 233 Ca 0.00 0.00 0.06 0.00 0.07 0.00 0.00 59.98 60.11 1u5k h ARG 233 Cb 0.17 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.22 1u5k h ARG 233 CO -0.00 0.00 0.20 1.96 -1.07 0.00 0.00 179.97 181.06 1u5k h GLN 234 N 0.00 0.00 -0.03 0.04 1.08 -1.56 -2.83 115.11 111.81 1u5k h GLN 234 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1u5k h GLN 234 Cb 0.24 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.67 1u5k h GLN 234 CO 0.00 0.00 -0.06 1.28 -0.95 0.00 0.00 178.83 179.10 1u5k n LEU 235 N -3.87 2.85 -4.75 1.46 4.77 -0.49 -4.94 117.00 112.03 1u5k n LEU 235 Ca 0.02 -0.96 -0.41 0.00 -0.03 0.00 0.00 56.01 54.63 1u5k n LEU 235 Cb 0.33 -0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.39 1u5k n LEU 235 CO 0.28 0.48 0.93 -0.69 -1.33 0.00 0.00 177.39 177.07 1u5k s VAL 236 N -2.06 3.17 0.08 4.08 1.01 -1.07 -4.84 120.40 120.77 1u5k s VAL 236 Ca 0.27 1.06 -0.36 0.00 0.00 0.00 0.00 61.98 62.94 1u5k s VAL 236 Cb 0.20 -3.67 -0.16 0.00 0.00 0.00 0.00 36.38 32.74 1u5k s VAL 236 CO 0.34 0.20 1.39 -2.65 0.00 0.00 0.00 175.10 174.38 1u5k n PRO 237 N 1.83 1.30 -0.43 2.72 -0.02 -1.26 -4.86 135.00 134.28 1u5k n PRO 237 Ca 0.03 0.47 0.00 0.00 -2.02 0.00 0.00 63.50 61.98 1u5k n PRO 237 Cb 0.43 -2.13 0.00 0.00 -0.02 0.00 0.00 33.50 31.78 1u5k n PRO 237 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 1u5k n SER 238 N 2.78 0.00 0.00 2.55 7.64 -1.26 -5.06 113.62 120.27 1u5k n SER 238 Ca 0.18 -1.53 0.00 0.00 1.01 0.00 0.00 58.87 58.54 1u5k n SER 238 Cb 0.20 -0.11 0.00 0.00 -1.01 0.00 0.00 64.21 63.30 1u5k n SER 238 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1u5k n GLY 239 N 0.00 3.87 3.49 0.23 0.00 -1.26 -5.07 105.19 106.45 1u5k n GLY 239 Ca 0.00 -1.67 -0.36 0.00 0.00 0.00 0.00 46.02 43.99 1u5k n GLY 239 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1u5k s VAL 240 N -2.35 4.53 0.54 1.61 -7.23 -1.26 -5.09 120.40 111.15 1u5k s VAL 240 Ca 0.00 -0.10 -0.19 0.00 -1.81 0.00 0.00 61.98 59.88 1u5k s VAL 240 Cb 0.00 -3.12 -0.10 0.00 0.56 0.00 0.00 36.38 33.72 1u5k s VAL 240 CO 0.00 0.34 0.42 -2.65 -0.31 0.00 0.00 175.10 172.90 1u5k n PRO 241 N 4.76 0.44 0.00 4.82 -0.02 -1.26 -4.99 135.00 138.75 1u5k n PRO 241 Ca -0.16 0.17 0.00 0.00 -2.02 0.00 0.00 63.50 61.49 1u5k n PRO 241 Cb 0.52 -1.56 0.00 0.00 -0.02 0.00 0.00 33.50 32.44 1u5k n PRO 241 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1u5k n VAL 242 N -1.54 0.00 -3.67 -1.45 0.31 -1.26 -5.03 118.33 105.69 1u5k n VAL 242 Ca 0.11 0.37 -0.14 0.00 -0.01 0.00 0.00 64.34 64.68 1u5k n VAL 242 Cb 0.46 -0.93 -0.07 0.00 -0.91 0.00 0.00 33.84 32.40 1u5k n VAL 242 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 1u5k s LEU 243 N -0.36 0.37 0.00 7.52 1.43 -1.26 -5.34 118.68 121.04 1u5k s LEU 243 Ca 0.00 0.11 0.11 0.00 -1.03 0.00 0.00 54.13 53.33 1u5k s LEU 243 Cb 0.00 1.73 0.09 0.00 0.03 0.00 0.00 46.19 48.04 1u5k s LEU 243 CO 0.00 -0.61 0.86 -0.24 0.23 0.00 0.00 176.35 176.60