#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ub1 n PRO 73 N 0.00 -1.88 -3.60 0.00 -0.04 -1.26 -5.10 135.00 123.12 1ub1 n PRO 73 Ca 0.00 -1.54 -0.05 0.00 -0.04 0.00 0.00 63.50 61.87 1ub1 n PRO 73 Cb 0.00 -1.22 -0.03 0.00 -0.04 0.00 0.00 33.50 32.22 1ub1 n PRO 73 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1ub1 s ALA 74 N -3.51 -2.06 -0.28 0.55 0.00 -1.26 -5.18 121.76 110.02 1ub1 s ALA 74 Ca 0.59 1.67 -0.25 0.00 0.00 0.00 0.00 51.96 53.97 1ub1 s ALA 74 Cb -0.04 -0.54 0.15 0.00 0.00 0.00 0.00 23.12 22.69 1ub1 s ALA 74 CO 0.43 -0.47 1.17 0.54 0.00 0.00 0.00 175.76 177.44 1ub1 s VAL 75 N -1.90 0.00 -0.05 0.00 0.11 -1.26 -5.06 120.40 112.24 1ub1 s VAL 75 Ca 0.08 0.00 -0.24 0.00 -2.93 0.00 0.00 61.98 58.88 1ub1 s VAL 75 Cb -0.01 -1.00 -0.23 0.00 -1.53 0.00 0.00 36.38 33.61 1ub1 s VAL 75 CO -0.05 0.00 1.06 1.55 -3.33 0.00 0.00 175.10 174.33 1ub1 h PRO 76 N 3.77 0.16 0.00 1.54 0.13 -2.04 -3.50 132.00 132.06 1ub1 h PRO 76 Ca -0.27 -0.16 0.14 0.00 -0.87 0.00 0.00 66.00 64.84 1ub1 h PRO 76 Cb 1.18 0.04 -0.03 0.00 0.13 0.00 0.00 31.00 32.32 1ub1 h PRO 76 CO 0.14 0.87 -0.18 0.39 -0.23 0.00 0.00 178.00 178.99 1ub1 n GLU 77 N -4.55 -1.03 -3.34 0.86 -0.58 -1.26 -4.98 120.64 105.77 1ub1 n GLU 77 Ca -0.09 0.68 -0.14 0.00 -0.42 0.00 0.00 57.16 57.18 1ub1 n GLU 77 Cb 0.47 -1.25 0.03 0.00 -0.57 0.00 0.00 31.44 30.12 1ub1 n GLU 77 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1ub1 n ALA 78 N -1.36 -2.55 -2.89 0.62 0.00 -1.26 -4.99 120.51 108.08 1ub1 n ALA 78 Ca 0.00 -0.05 0.01 0.00 0.00 0.00 0.00 53.44 53.39 1ub1 n ALA 78 Cb 0.23 -3.07 0.00 0.00 0.00 0.00 0.00 19.45 16.61 1ub1 n ALA 78 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1ub1 s SER 79 N -3.20 -0.77 -0.07 0.00 0.15 -1.26 -5.16 113.70 103.40 1ub1 s SER 79 Ca 0.22 -0.48 -0.29 0.00 0.70 0.00 0.00 55.95 56.10 1ub1 s SER 79 Cb -0.05 0.98 0.07 0.00 -1.71 0.00 0.00 66.02 65.31 1ub1 s SER 79 CO 0.79 -0.07 0.65 0.00 1.20 0.00 0.00 173.24 175.80 1ub1 s ALA 80 N 1.74 -1.67 -0.59 5.45 0.00 -1.26 -5.00 121.76 120.42 1ub1 s ALA 80 Ca 0.17 1.29 -0.15 0.00 0.00 0.00 0.00 51.96 53.26 1ub1 s ALA 80 Cb 0.02 -0.10 0.02 0.00 0.00 0.00 0.00 23.12 23.06 1ub1 s ALA 80 CO -0.11 -0.36 0.56 0.45 0.00 0.00 0.00 175.76 176.30 1ub1 n SER 81 N 1.12 -4.52 -3.42 0.00 2.88 -1.26 -4.68 113.62 103.75 1ub1 n SER 81 Ca -0.19 -0.56 -0.35 0.00 -1.33 0.00 0.00 58.87 56.44 1ub1 n SER 81 Cb 0.57 -1.42 -0.03 0.00 -0.75 0.00 0.00 64.21 62.59 1ub1 n SER 81 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1ub1 n PRO 82 N -1.43 2.52 -1.09 -1.46 -0.04 -1.26 -4.80 135.00 127.43 1ub1 n PRO 82 Ca -0.20 -1.95 0.03 0.00 -0.04 0.00 0.00 63.50 61.34 1ub1 n PRO 82 Cb 0.62 -2.81 -0.02 0.00 -0.04 0.00 0.00 33.50 31.25 1ub1 n PRO 82 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1ub1 n LYS 83 N 5.03 -2.78 0.00 0.54 5.02 -1.26 -5.00 118.16 119.71 1ub1 n LYS 83 Ca 0.56 2.19 0.00 0.00 -2.02 0.00 0.00 58.31 59.04 1ub1 n LYS 83 Cb 0.27 -2.83 0.00 0.00 -0.02 0.00 0.00 35.03 32.45 1ub1 n LYS 83 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 1ub1 n GLN 84 N -2.65 0.00 -2.32 1.97 6.02 -1.26 -5.03 117.38 114.11 1ub1 n GLN 84 Ca -0.02 0.00 -0.14 0.00 -0.01 0.00 0.00 57.00 56.83 1ub1 n GLN 84 Cb 0.38 -0.54 -0.00 0.00 1.02 0.00 0.00 30.24 31.10 1ub1 n GLN 84 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 177.06 173.92 1ub1 n ARG 85 N -2.43 -1.34 -3.58 -1.09 0.63 -1.26 -4.99 116.66 102.59 1ub1 n ARG 85 Ca 0.00 0.69 -0.37 0.00 -0.92 0.00 0.00 57.85 57.25 1ub1 n ARG 85 Cb 0.29 -4.98 -0.06 0.00 0.45 0.00 0.00 32.46 28.16 1ub1 n ARG 85 CO 0.00 0.00 0.00 0.50 -2.51 0.00 0.00 177.63 175.62 1ub1 s ARG 86 N -4.77 3.80 0.25 -0.14 3.52 -1.26 -5.08 118.95 115.27 1ub1 s ARG 86 Ca 0.02 0.26 -0.16 0.00 -0.13 0.00 0.00 55.73 55.73 1ub1 s ARG 86 Cb -0.01 -3.17 0.00 0.00 -1.56 0.00 0.00 34.95 30.22 1ub1 s ARG 86 CO 0.02 0.68 0.56 -1.12 -0.81 0.00 0.00 175.30 174.63 1ub1 s SER 87 N -1.23 -0.15 -0.85 -2.12 0.01 -1.26 -5.10 113.70 103.00 1ub1 s SER 87 Ca 0.24 -0.81 -0.17 0.00 1.31 0.00 0.00 55.95 56.53 1ub1 s SER 87 Cb -0.15 0.63 0.16 0.00 0.21 0.00 0.00 66.02 66.87 1ub1 s SER 87 CO 0.13 -1.20 0.94 -0.63 0.41 0.00 0.00 173.24 172.89 1ub1 s ILE 88 N -3.98 5.09 1.31 1.44 1.09 -1.26 -5.03 121.20 119.85 1ub1 s ILE 88 Ca 0.18 -1.86 -0.18 0.00 -1.10 0.00 0.00 60.65 57.69 1ub1 s ILE 88 Cb -0.02 -4.63 0.33 0.00 -1.06 0.00 0.00 42.46 37.08 1ub1 s ILE 88 CO 0.08 -1.28 0.97 0.27 -0.10 0.00 0.00 174.94 174.88 1ub1 s ILE 89 N 1.70 1.59 0.48 2.92 -5.25 -1.26 -5.03 121.20 116.35 1ub1 s ILE 89 Ca 0.25 0.00 0.07 0.00 -0.99 0.00 0.00 60.65 59.97 1ub1 s ILE 89 Cb -0.09 -2.07 0.03 0.00 2.95 0.00 0.00 42.46 43.29 1ub1 s ILE 89 CO -0.07 0.00 0.66 -0.60 -1.79 0.00 0.00 174.94 173.14 1ub1 s ARG 90 N -4.77 2.64 -0.26 0.37 6.06 -1.26 -4.99 118.95 116.74 1ub1 s ARG 90 Ca 0.69 -1.23 -0.29 0.00 -2.50 0.00 0.00 55.73 52.39 1ub1 s ARG 90 Cb -0.19 -2.68 -0.07 0.00 0.06 0.00 0.00 34.95 32.08 1ub1 s ARG 90 CO 0.61 -0.50 2.23 -3.47 -2.50 0.00 0.00 175.30 171.68 1ub1 n ASP 91 N -2.04 2.96 -4.16 -2.12 -0.08 -1.26 -2.50 116.55 107.35 1ub1 n ASP 91 Ca 0.10 0.21 -0.39 0.00 -1.51 0.00 0.00 54.79 53.20 1ub1 n ASP 91 Cb 0.60 -1.49 -0.03 0.00 2.34 0.00 0.00 41.12 42.53 1ub1 n ASP 91 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 1ub1 n ARG 92 N 8.66 -0.54 -1.42 -0.67 1.74 -1.26 -4.44 116.66 118.74 1ub1 n ARG 92 Ca 0.33 0.05 0.17 0.00 -0.77 0.00 0.00 57.85 57.63 1ub1 n ARG 92 Cb 0.40 -2.82 -0.09 0.00 -1.02 0.00 0.00 32.46 28.94 1ub1 n ARG 92 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ub1 n GLY 93 N -2.28 -3.01 3.79 -0.13 0.00 -1.04 -4.90 105.19 97.62 1ub1 n GLY 93 Ca -0.20 -0.97 -0.29 0.00 0.00 0.00 0.00 46.02 44.56 1ub1 n GLY 93 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ub1 s PRO 94 N -4.11 1.21 -0.04 1.61 0.04 -1.26 -4.91 135.00 127.54 1ub1 s PRO 94 Ca 0.00 0.32 0.20 0.00 0.04 0.00 0.00 61.00 61.56 1ub1 s PRO 94 Cb 0.00 -1.85 -0.25 0.00 0.04 0.00 0.00 34.50 32.45 1ub1 s PRO 94 CO 0.00 -2.15 0.48 -1.33 0.04 0.00 0.00 177.00 174.04 1ub1 n MET 95 N -3.74 0.66 0.00 4.56 2.81 -1.26 -4.96 117.12 115.18 1ub1 n MET 95 Ca 0.07 -0.04 0.00 0.00 -1.81 0.00 0.00 57.70 55.92 1ub1 n MET 95 Cb 0.59 -1.60 0.00 0.00 -0.71 0.00 0.00 33.22 31.50 1ub1 n MET 95 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14 1ub1 n TYR 96 N -2.55 -2.08 0.00 2.03 4.01 -1.26 -5.05 117.16 112.25 1ub1 n TYR 96 Ca -0.13 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.61 1ub1 n TYR 96 Cb 0.78 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.81 1ub1 n TYR 96 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 1ub1 n ASP 97 N -1.88 0.00 0.00 7.72 2.03 -1.26 -4.98 116.55 118.18 1ub1 n ASP 97 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1ub1 n ASP 97 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 1ub1 n ASP 97 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 1ub1 n ASP 98 N 0.00 0.00 -4.58 1.67 9.92 -1.26 -4.96 116.55 117.34 1ub1 n ASP 98 Ca 0.00 0.00 -0.35 0.00 -0.53 0.00 0.00 54.79 53.91 1ub1 n ASP 98 Cb 0.00 0.00 -0.03 0.00 -0.64 0.00 0.00 41.12 40.45 1ub1 n ASP 98 CO 0.00 0.00 0.00 -2.16 0.13 0.00 0.00 177.20 175.17 1ub1 s PRO 99 N 0.00 3.22 0.00 -0.24 0.04 -1.26 -4.80 135.00 131.96 1ub1 s PRO 99 Ca 0.00 -1.40 0.00 0.00 0.04 0.00 0.00 61.00 59.64 1ub1 s PRO 99 Cb 0.00 -5.36 0.00 0.00 0.04 0.00 0.00 34.50 29.18 1ub1 s PRO 99 CO 0.00 -3.03 0.00 0.25 0.04 0.00 0.00 177.00 174.26 1ub1 n THR 100 N 7.15 0.00 -3.45 1.26 -2.24 -1.26 -5.14 114.28 110.59 1ub1 n THR 100 Ca 0.45 0.00 -0.25 0.00 -2.27 0.00 0.00 64.05 61.98 1ub1 n THR 100 Cb 0.47 0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 68.68 1ub1 n THR 100 CO 0.00 0.00 0.00 -1.48 -0.57 0.00 0.00 175.07 173.02 1ub1 s LEU 101 N 0.00 4.07 -1.13 3.22 -0.00 -1.26 -4.99 118.68 118.58 1ub1 s LEU 101 Ca 0.00 0.46 -0.22 0.00 -0.00 0.00 0.00 54.13 54.38 1ub1 s LEU 101 Cb 0.00 -3.30 -0.00 0.00 -0.00 0.00 0.00 46.19 42.89 1ub1 s LEU 101 CO 0.00 -0.23 1.78 -2.16 -0.00 0.00 0.00 176.35 175.74 1ub1 s PRO 102 N -4.02 3.19 0.00 1.48 0.04 -1.26 -3.24 135.00 131.20 1ub1 s PRO 102 Ca 0.40 -1.25 0.00 0.00 0.04 0.00 0.00 61.00 60.19 1ub1 s PRO 102 Cb -0.10 -5.32 0.00 0.00 0.04 0.00 0.00 34.50 29.12 1ub1 s PRO 102 CO 0.34 -2.97 0.00 -1.91 0.04 0.00 0.00 177.00 172.49 1ub1 n GLU 103 N 8.55 0.00 0.00 4.56 0.00 -1.26 -5.14 120.64 127.35 1ub1 n GLU 103 Ca 0.43 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.59 1ub1 n GLU 103 Cb 0.47 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.91 1ub1 n GLU 103 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1ub1 n GLY 104 N 0.00 -0.52 1.69 8.31 0.00 -1.20 -5.07 105.19 108.40 1ub1 n GLY 104 Ca 0.00 0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.08 1ub1 n GLY 104 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 1ub1 n TRP 105 N 0.00 -4.12 -3.54 1.61 -0.00 -1.26 -4.19 117.44 105.94 1ub1 n TRP 105 Ca 0.00 2.31 -0.18 0.00 -0.00 0.00 0.00 57.50 59.64 1ub1 n TRP 105 Cb 0.00 -3.38 -0.06 0.00 -0.00 0.00 0.00 31.31 27.86 1ub1 n TRP 105 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 177.69 178.68 1ub1 s THR 106 N -1.16 0.01 -0.19 5.87 2.01 -1.08 -4.79 115.64 116.31 1ub1 s THR 106 Ca 0.00 -0.04 -0.15 0.00 0.31 0.00 0.00 61.69 61.80 1ub1 s THR 106 Cb 0.00 -0.96 -0.04 0.00 0.01 0.00 0.00 72.50 71.51 1ub1 s THR 106 CO 0.00 -0.02 0.38 -0.60 -0.69 0.00 0.00 174.62 173.68 1ub1 s ARG 107 N -1.19 4.20 -0.07 4.92 3.52 -1.26 -0.68 118.95 128.39 1ub1 s ARG 107 Ca -0.11 0.18 0.03 0.00 -0.13 0.00 0.00 55.73 55.70 1ub1 s ARG 107 Cb -0.01 -3.51 -0.02 0.00 -1.56 0.00 0.00 34.95 29.86 1ub1 s ARG 107 CO 0.09 0.04 -0.17 0.15 -0.81 0.00 0.00 175.30 174.60 1ub1 s LYS 108 N 1.08 2.76 0.00 5.12 3.01 1.06 -4.10 119.74 128.66 1ub1 s LYS 108 Ca 0.19 -0.75 0.04 0.00 -1.01 0.00 0.00 55.97 54.44 1ub1 s LYS 108 Cb -0.14 -2.39 -0.03 0.00 -1.01 0.00 0.00 37.83 34.26 1ub1 s LYS 108 CO 0.07 0.45 -0.11 -1.17 0.51 0.00 0.00 175.35 175.10 1ub1 s LEU 109 N -0.28 2.97 0.00 3.17 0.20 -1.26 0.59 118.68 124.07 1ub1 s LEU 109 Ca 0.01 -0.22 -0.05 0.00 0.69 0.00 0.00 54.13 54.57 1ub1 s LEU 109 Cb -0.13 -1.70 0.02 0.00 -0.43 0.00 0.00 46.19 43.95 1ub1 s LEU 109 CO 0.03 0.29 0.57 0.29 -0.29 0.00 0.00 176.35 177.23 1ub1 n LYS 110 N 1.68 0.82 -3.03 1.98 4.76 0.33 -4.94 118.16 119.75 1ub1 n LYS 110 Ca -0.16 -2.69 -0.40 0.00 -2.87 0.00 0.00 58.31 52.20 1ub1 n LYS 110 Cb 0.52 2.74 -0.05 0.00 -1.84 0.00 0.00 35.03 36.40 1ub1 n LYS 110 CO 0.00 0.00 0.00 -1.14 -1.37 0.00 0.00 177.40 174.89 1ub1 s GLN 111 N -2.63 4.47 -0.47 1.97 0.74 -1.26 0.22 119.66 122.69 1ub1 s GLN 111 Ca 0.26 1.02 -0.02 0.00 0.05 0.00 0.00 55.36 56.68 1ub1 s GLN 111 Cb -0.02 -3.33 0.29 0.00 1.10 0.00 0.00 33.01 31.06 1ub1 s GLN 111 CO 0.19 0.39 2.07 -2.13 -0.55 0.00 0.00 175.29 175.26 1ub1 n ARG 112 N 2.42 2.19 -0.91 1.67 3.00 -1.26 -4.79 116.66 118.97 1ub1 n ARG 112 Ca -0.04 -2.29 -0.36 0.00 -0.00 0.00 0.00 57.85 55.15 1ub1 n ARG 112 Cb 0.50 -1.91 0.07 0.00 0.00 0.00 0.00 32.46 31.12 1ub1 n ARG 112 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 1ub1 n LYS 113 N -0.10 -0.34 -1.51 -0.14 5.02 -1.26 -4.31 118.16 115.52 1ub1 n LYS 113 Ca 0.44 -0.09 0.00 0.00 -2.02 0.00 0.00 58.31 56.64 1ub1 n LYS 113 Cb 0.59 -1.24 0.00 0.00 -0.02 0.00 0.00 35.03 34.36 1ub1 n LYS 113 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1ub1 n SER 114 N 1.89 -1.40 -2.73 4.39 2.88 -1.26 -5.03 113.62 112.37 1ub1 n SER 114 Ca -0.00 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.44 1ub1 n SER 114 Cb 0.64 -0.35 0.05 0.00 -0.75 0.00 0.00 64.21 63.80 1ub1 n SER 114 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ub1 n GLY 115 N -0.59 1.65 5.11 0.46 0.00 -1.26 -4.98 105.19 105.58 1ub1 n GLY 115 Ca 0.00 -1.00 0.00 0.00 0.00 0.00 0.00 46.02 45.02 1ub1 n GLY 115 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ub1 n ARG 116 N -0.14 0.00 -0.46 1.61 1.74 -1.26 -1.27 116.66 116.88 1ub1 n ARG 116 Ca 0.08 0.00 0.06 0.00 -0.77 0.00 0.00 57.85 57.22 1ub1 n ARG 116 Cb 0.81 0.00 0.11 0.00 -1.02 0.00 0.00 32.46 32.35 1ub1 n ARG 116 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1ub1 n SER 117 N 1.49 1.47 0.00 0.55 2.88 -1.26 -5.11 113.62 113.65 1ub1 n SER 117 Ca 0.00 -2.86 0.00 0.00 -1.33 0.00 0.00 58.87 54.68 1ub1 n SER 117 Cb 0.00 -0.38 0.00 0.00 -0.75 0.00 0.00 64.21 63.08 1ub1 n SER 117 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1ub1 n ALA 118 N -0.78 0.00 0.00 -1.46 0.00 -0.40 -4.99 120.51 112.88 1ub1 n ALA 118 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.55 1ub1 n ALA 118 Cb 0.73 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.18 1ub1 n ALA 118 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ub1 n GLY 119 N 0.00 -0.91 3.82 0.00 0.00 -1.26 -4.97 105.19 101.87 1ub1 n GLY 119 Ca 0.00 0.45 -0.33 0.00 0.00 0.00 0.00 46.02 46.14 1ub1 n GLY 119 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ub1 s LYS 120 N 0.00 3.74 0.00 1.61 -0.14 -1.26 -4.96 119.74 118.73 1ub1 s LYS 120 Ca 0.00 1.16 0.00 0.00 -1.36 0.00 0.00 55.97 55.77 1ub1 s LYS 120 Cb 0.00 -2.10 0.00 0.00 -1.68 0.00 0.00 37.83 34.05 1ub1 s LYS 120 CO 0.00 -0.45 0.00 0.66 -0.76 0.00 0.00 175.35 174.80 1ub1 n TYR 121 N -1.45 -0.49 -3.78 3.18 4.01 -1.26 -4.21 117.16 113.15 1ub1 n TYR 121 Ca 0.08 0.00 -0.13 0.00 -0.16 0.00 0.00 57.90 57.69 1ub1 n TYR 121 Cb 0.53 0.00 -0.11 0.00 -0.31 0.00 0.00 39.34 39.45 1ub1 n TYR 121 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 1ub1 s ASP 122 N -1.50 -0.28 0.08 7.72 -1.08 0.59 -4.55 116.67 117.65 1ub1 s ASP 122 Ca 0.00 0.51 -0.04 0.00 -0.52 0.00 0.00 52.55 52.50 1ub1 s ASP 122 Cb 0.00 0.55 -0.05 0.00 -1.46 0.00 0.00 42.92 41.96 1ub1 s ASP 122 CO 0.00 -0.15 0.29 -0.69 0.52 0.00 0.00 175.17 175.14 1ub1 s VAL 123 N -0.06 5.28 -0.08 1.11 1.01 -1.26 0.12 120.40 126.52 1ub1 s VAL 123 Ca -0.02 -0.07 0.00 0.00 0.00 0.00 0.00 61.98 61.89 1ub1 s VAL 123 Cb -0.03 -3.61 0.02 0.00 0.00 0.00 0.00 36.38 32.77 1ub1 s VAL 123 CO 0.01 0.16 -0.07 -0.47 0.00 0.00 0.00 175.10 174.74 1ub1 s TYR 124 N -1.51 1.21 -0.36 5.22 6.14 2.46 -4.57 117.35 125.94 1ub1 s TYR 124 Ca 0.35 -0.50 -0.14 0.00 0.64 0.00 0.00 57.07 57.41 1ub1 s TYR 124 Cb -0.13 -1.02 -0.01 0.00 0.42 0.00 0.00 41.96 41.22 1ub1 s TYR 124 CO 0.23 -0.37 0.31 -0.51 0.64 0.00 0.00 175.55 175.85 1ub1 s LEU 125 N 1.38 4.62 -0.22 6.97 1.43 -0.40 0.34 118.68 132.81 1ub1 s LEU 125 Ca -0.02 -0.46 -0.18 0.00 -1.03 0.00 0.00 54.13 52.44 1ub1 s LEU 125 Cb -0.14 -2.24 -0.03 0.00 0.03 0.00 0.00 46.19 43.82 1ub1 s LEU 125 CO -0.04 -0.34 0.49 -0.63 0.23 0.00 0.00 176.35 176.07 1ub1 s ILE 126 N 1.86 5.11 1.08 -0.59 1.01 0.14 0.15 121.20 129.97 1ub1 s ILE 126 Ca 0.08 0.88 -0.16 0.00 0.00 0.00 0.00 60.65 61.45 1ub1 s ILE 126 Cb -0.17 -3.81 0.23 0.00 0.01 0.00 0.00 42.46 38.72 1ub1 s ILE 126 CO 0.11 0.16 1.15 0.54 0.00 0.00 0.00 174.94 176.89 1ub1 s ASN 127 N 1.29 1.97 -1.19 3.58 4.22 0.55 -2.62 114.94 122.74 1ub1 s ASN 127 Ca 0.22 0.71 -0.10 0.00 -2.14 0.00 0.00 52.86 51.56 1ub1 s ASN 127 Cb -0.15 -1.05 -0.07 0.00 1.28 0.00 0.00 41.25 41.26 1ub1 s ASN 127 CO 0.09 -3.48 2.39 -0.81 -2.04 0.00 0.00 177.10 173.25 1ub1 n PRO 128 N -4.34 2.65 0.00 3.55 -0.04 -1.26 -2.61 135.00 132.94 1ub1 n PRO 128 Ca 0.11 -1.86 0.00 0.00 -0.04 0.00 0.00 63.50 61.71 1ub1 n PRO 128 Cb 0.59 -2.70 0.00 0.00 -0.04 0.00 0.00 33.50 31.35 1ub1 n PRO 128 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1ub1 n GLN 129 N 4.49 0.00 0.00 0.54 10.64 -1.26 -4.99 117.38 126.80 1ub1 n GLN 129 Ca 0.57 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.74 1ub1 n GLN 129 Cb 0.22 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.60 1ub1 n GLN 129 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1ub1 n GLY 130 N -0.88 0.26 3.70 2.61 0.00 -1.07 -5.12 105.19 104.69 1ub1 n GLY 130 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1ub1 n GLY 130 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1ub1 s LYS 131 N 0.00 4.34 0.02 1.61 2.47 -1.26 -4.77 119.74 122.15 1ub1 s LYS 131 Ca 0.00 1.88 -0.01 0.00 -1.56 0.00 0.00 55.97 56.28 1ub1 s LYS 131 Cb 0.00 -3.44 -0.04 0.00 -1.46 0.00 0.00 37.83 32.89 1ub1 s LYS 131 CO 0.00 -0.43 0.15 0.00 0.16 0.00 0.00 175.35 175.23 1ub1 s ALA 132 N 1.73 3.83 -0.17 3.13 0.00 -1.26 0.20 121.76 129.24 1ub1 s ALA 132 Ca 0.61 -0.83 -0.00 0.00 0.00 0.00 0.00 51.96 51.74 1ub1 s ALA 132 Cb -0.31 -1.75 0.00 0.00 0.00 0.00 0.00 23.12 21.07 1ub1 s ALA 132 CO 0.27 0.75 -0.15 -0.06 0.00 0.00 0.00 175.76 176.58 1ub1 s PHE 133 N -1.33 2.80 -1.06 0.00 0.08 0.40 -4.86 117.98 114.00 1ub1 s PHE 133 Ca 0.28 -1.12 0.12 0.00 0.12 0.00 0.00 56.93 56.33 1ub1 s PHE 133 Cb -0.12 -1.92 -0.00 0.00 -0.57 0.00 0.00 43.02 40.40 1ub1 s PHE 133 CO 0.20 -0.53 0.69 0.54 -0.10 0.00 0.00 175.22 176.02 1ub1 n ARG 134 N 4.23 1.97 -3.92 0.44 1.74 -1.26 -1.27 116.66 118.60 1ub1 n ARG 134 Ca -0.19 -0.66 -0.10 0.00 -0.77 0.00 0.00 57.85 56.13 1ub1 n ARG 134 Cb 0.51 -1.13 -0.12 0.00 -1.02 0.00 0.00 32.46 30.70 1ub1 n ARG 134 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 1ub1 s SER 135 N -1.50 0.10 0.62 0.55 0.01 -1.26 -4.97 113.70 107.24 1ub1 s SER 135 Ca 0.10 -0.24 0.40 0.00 1.31 0.00 0.00 55.95 57.52 1ub1 s SER 135 Cb 0.09 0.12 2.06 0.00 0.21 0.00 0.00 66.02 68.50 1ub1 s SER 135 CO 0.29 -0.22 2.23 0.50 0.41 0.00 0.00 173.24 176.45 1ub1 h LYS 136 N 5.07 0.00 0.02 12.44 3.64 -1.93 -2.02 116.57 133.78 1ub1 h LYS 136 Ca -0.29 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.09 1ub1 h LYS 136 Cb 1.21 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.03 1ub1 h LYS 136 CO 0.43 0.00 -0.01 -0.24 -2.27 0.00 0.00 179.45 177.37 1ub1 h VAL 137 N 0.00 1.36 -0.00 2.00 3.04 -2.00 -2.88 116.25 117.77 1ub1 h VAL 137 Ca 0.00 -1.19 0.00 0.00 -1.01 0.00 0.00 66.70 64.51 1ub1 h VAL 137 Cb 0.16 2.16 -0.00 0.00 -2.01 0.00 0.00 31.29 31.60 1ub1 h VAL 137 CO 0.00 0.30 0.01 -0.08 -1.01 0.00 0.00 177.57 176.79 1ub1 h GLU 138 N -0.54 0.00 0.01 4.17 4.81 -1.79 -1.63 114.58 119.62 1ub1 h GLU 138 Ca -0.00 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1ub1 h GLU 138 Cb 0.51 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.89 1ub1 h GLU 138 CO 0.00 0.00 -0.01 1.25 -0.73 0.00 0.00 179.01 179.53 1ub1 h LEU 139 N 0.00 -0.01 -0.37 1.64 5.85 -1.27 -2.64 115.31 118.52 1ub1 h LEU 139 Ca 0.00 -0.09 -0.00 0.00 0.84 0.00 0.00 57.88 58.63 1ub1 h LEU 139 Cb 0.02 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.03 1ub1 h LEU 139 CO -0.00 0.08 0.21 -0.29 -0.34 0.00 0.00 178.44 178.11 1ub1 h ILE 140 N -0.11 1.13 -0.92 4.05 -0.00 -1.28 2.58 117.51 122.96 1ub1 h ILE 140 Ca -0.00 -0.31 0.19 0.00 -0.00 0.00 0.00 64.86 64.75 1ub1 h ILE 140 Cb 0.10 0.67 -0.17 0.00 -0.00 0.00 0.00 36.82 37.42 1ub1 h ILE 140 CO 0.00 0.13 -0.19 0.00 -0.00 0.00 0.00 178.15 178.09 1ub1 h ALA 141 N 1.09 0.68 0.02 0.18 0.00 -1.22 7.04 119.26 127.04 1ub1 h ALA 141 Ca 0.13 0.35 -0.30 0.00 0.00 0.00 0.00 54.91 55.09 1ub1 h ALA 141 Cb 0.02 0.68 -0.04 0.00 0.00 0.00 0.00 17.79 18.44 1ub1 h ALA 141 CO -0.02 -0.41 -1.72 1.88 0.00 0.00 0.00 179.25 178.97 1ub1 h TYR 142 N 0.01 0.08 0.00 0.00 -1.99 -1.09 -3.33 116.97 110.64 1ub1 h TYR 142 Ca 0.46 -0.06 0.00 0.00 2.00 0.00 0.00 58.73 61.13 1ub1 h TYR 142 Cb 0.74 -0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.46 1ub1 h TYR 142 CO -0.68 1.12 0.00 0.74 -0.00 0.00 0.00 178.16 179.34 1ub1 h PHE 143 N 0.01 0.00 -0.64 4.88 -1.00 0.71 -1.62 116.94 119.28 1ub1 h PHE 143 Ca -0.30 0.00 0.13 0.00 2.81 0.00 0.00 57.97 60.61 1ub1 h PHE 143 Cb 2.01 0.00 -0.12 0.00 3.61 0.00 0.00 35.95 41.45 1ub1 h PHE 143 CO 0.01 0.00 -0.17 1.49 -1.61 0.00 0.00 178.31 178.03 1ub1 h GLU 144 N 0.00 -0.01 0.00 1.51 4.22 1.45 -3.40 114.58 118.35 1ub1 h GLU 144 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.44 1ub1 h GLU 144 Cb 0.76 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.01 1ub1 h GLU 144 CO 0.00 -0.01 0.00 0.36 -2.18 0.00 0.00 179.01 177.18 1ub1 n LYS 145 N -5.44 0.00 -0.00 1.92 2.85 -1.23 -5.00 118.16 111.26 1ub1 n LYS 145 Ca 0.08 0.00 0.05 0.00 -1.05 0.00 0.00 58.31 57.39 1ub1 n LYS 145 Cb 0.34 0.00 -0.06 0.00 -0.65 0.00 0.00 35.03 34.65 1ub1 n LYS 145 CO 0.00 0.00 0.00 1.55 -0.05 0.00 0.00 177.40 178.90 1ub1 n VAL 146 N 0.00 0.00 0.00 0.58 3.14 -0.61 -5.03 118.33 116.41 1ub1 n VAL 146 Ca 0.00 -0.24 0.00 0.00 -2.96 0.00 0.00 64.34 61.14 1ub1 n VAL 146 Cb 0.00 0.98 0.00 0.00 -1.06 0.00 0.00 33.84 33.76 1ub1 n VAL 146 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1ub1 n GLY 147 N 1.27 1.76 1.41 7.55 0.00 -1.26 -5.07 105.19 110.86 1ub1 n GLY 147 Ca 0.02 -0.30 0.17 0.00 0.00 0.00 0.00 46.02 45.91 1ub1 n GLY 147 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1ub1 n ASP 148 N 0.00 -7.60 -0.00 1.61 10.43 -1.26 -4.95 116.55 114.78 1ub1 n ASP 148 Ca 0.00 1.34 -0.00 0.00 2.57 0.00 0.00 54.79 58.70 1ub1 n ASP 148 Cb 0.00 -4.82 -0.00 0.00 1.84 0.00 0.00 41.12 38.14 1ub1 n ASP 148 CO 0.00 0.00 0.00 0.41 -1.07 0.00 0.00 177.20 176.54 1ub1 n THR 149 N -4.29 0.01 -2.68 -3.53 -1.04 -1.26 -5.00 114.28 96.48 1ub1 n THR 149 Ca -0.08 0.34 -0.05 0.00 -2.04 0.00 0.00 64.05 62.22 1ub1 n THR 149 Cb 0.66 -1.35 0.05 0.00 -1.82 0.00 0.00 70.33 67.87 1ub1 n THR 149 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 1ub1 n SER 150 N -2.51 -1.52 -3.79 8.00 2.88 -1.26 -5.13 113.62 110.29 1ub1 n SER 150 Ca -0.00 -2.10 -0.14 0.00 -1.33 0.00 0.00 58.87 55.31 1ub1 n SER 150 Cb 0.00 1.07 -0.15 0.00 -0.75 0.00 0.00 64.21 64.38 1ub1 n SER 150 CO 0.00 0.00 0.00 -1.48 -1.23 0.00 0.00 175.04 172.33 1ub1 s LEU 151 N -2.54 1.20 0.36 2.46 2.34 -1.26 -5.16 118.68 116.07 1ub1 s LEU 151 Ca 0.13 0.13 0.07 0.00 0.06 0.00 0.00 54.13 54.52 1ub1 s LEU 151 Cb 0.23 0.11 -0.02 0.00 -0.56 0.00 0.00 46.19 45.95 1ub1 s LEU 151 CO -0.06 -0.10 0.39 1.51 -1.06 0.00 0.00 176.35 177.03 1ub1 s ASP 152 N 0.80 5.49 0.48 1.48 3.84 -1.26 -5.01 116.67 122.49 1ub1 s ASP 152 Ca -0.06 -0.43 0.28 0.00 -0.00 0.00 0.00 52.55 52.33 1ub1 s ASP 152 Cb -0.09 -0.96 0.87 0.00 -1.38 0.00 0.00 42.92 41.37 1ub1 s ASP 152 CO -0.03 -0.46 1.80 1.55 -0.00 0.00 0.00 175.17 178.03 1ub1 h PRO 153 N 1.05 0.00 0.00 2.11 0.13 -1.97 -2.30 132.00 131.02 1ub1 h PRO 153 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 1ub1 h PRO 153 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 1ub1 h PRO 153 CO 0.55 0.00 0.00 -1.71 -0.23 0.00 0.00 178.00 176.61 1ub1 n ASN 154 N -3.04 0.00 -2.70 1.44 5.15 -1.26 -3.38 115.26 111.47 1ub1 n ASN 154 Ca 0.02 0.35 -0.08 0.00 -0.60 0.00 0.00 54.58 54.27 1ub1 n ASN 154 Cb 0.41 -0.43 0.09 0.00 -0.53 0.00 0.00 39.78 39.31 1ub1 n ASN 154 CO 0.00 0.00 0.00 -0.67 1.40 0.00 0.00 177.26 177.99 1ub1 n ASP 155 N -1.43 -0.87 -3.37 1.20 -0.08 -0.99 -5.14 116.55 105.87 1ub1 n ASP 155 Ca 0.06 -2.61 -0.10 0.00 -1.51 0.00 0.00 54.79 50.63 1ub1 n ASP 155 Cb 0.20 0.57 0.10 0.00 2.34 0.00 0.00 41.12 44.32 1ub1 n ASP 155 CO 0.00 0.00 0.00 2.22 0.12 0.00 0.00 177.20 179.54 1ub1 n PHE 156 N -0.37 -1.98 0.76 -0.67 1.16 -0.90 -4.58 117.46 110.88 1ub1 n PHE 156 Ca 0.02 0.01 0.08 0.00 -1.87 0.00 0.00 57.45 55.68 1ub1 n PHE 156 Cb 0.83 -0.95 -0.08 0.00 -1.61 0.00 0.00 39.48 37.67 1ub1 n PHE 156 CO 0.00 0.00 0.00 -0.25 -1.87 0.00 0.00 176.76 174.64 1ub1 n ASP 157 N -1.06 0.92 -4.66 5.98 10.43 -1.26 -4.99 116.55 121.91 1ub1 n ASP 157 Ca 0.04 -0.96 -0.57 0.00 2.57 0.00 0.00 54.79 55.87 1ub1 n ASP 157 Cb 0.19 0.91 -0.07 0.00 1.84 0.00 0.00 41.12 43.99 1ub1 n ASP 157 CO 0.00 0.00 0.00 0.49 -1.07 0.00 0.00 177.20 176.62 1ub1 n PHE 158 N -1.17 1.72 0.00 1.24 3.01 -1.26 -4.89 117.46 116.11 1ub1 n PHE 158 Ca 0.04 0.69 0.00 0.00 1.01 0.00 0.00 57.45 59.18 1ub1 n PHE 158 Cb 0.27 -2.36 0.00 0.00 -0.01 0.00 0.00 39.48 37.38 1ub1 n PHE 158 CO 0.00 0.00 0.00 0.25 1.01 0.00 0.00 176.76 178.02 1ub1 n THR 159 N 3.57 0.00 -0.02 4.37 -2.24 -1.26 -2.14 114.28 116.56 1ub1 n THR 159 Ca 0.24 0.00 0.23 0.00 -2.27 0.00 0.00 64.05 62.25 1ub1 n THR 159 Cb 0.12 -0.47 0.72 0.00 -2.10 0.00 0.00 70.33 68.60 1ub1 n THR 159 CO 0.00 0.00 0.00 1.62 -0.57 0.00 0.00 175.07 176.12 1ub1 h VAL 160 N 0.00 0.45 -0.03 2.28 3.04 -1.91 0.74 116.25 120.82 1ub1 h VAL 160 Ca 0.00 0.00 -0.00 0.00 -1.01 0.00 0.00 66.70 65.69 1ub1 h VAL 160 Cb 0.00 0.59 -0.00 0.00 -2.01 0.00 0.00 31.29 29.87 1ub1 h VAL 160 CO 0.00 0.00 -0.02 1.07 -1.01 0.00 0.00 177.57 177.61 1ub1 n THR 161 N -3.93 1.95 0.00 3.17 5.66 -1.26 -4.36 114.28 115.50 1ub1 n THR 161 Ca 0.12 -2.27 0.00 0.00 -3.05 0.00 0.00 64.05 58.84 1ub1 n THR 161 Cb 0.77 -0.24 0.00 0.00 -1.55 0.00 0.00 70.33 69.31 1ub1 n THR 161 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1ub1 n GLY 162 N -1.33 0.00 0.01 1.09 0.00 0.23 -4.85 105.19 100.34 1ub1 n GLY 162 Ca 0.17 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.30 1ub1 n GLY 162 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ub1 n ARG 163 N -1.57 0.03 0.00 1.61 3.00 0.12 -4.88 116.66 114.97 1ub1 n ARG 163 Ca 0.00 0.12 0.00 0.00 -0.01 0.00 0.00 57.85 57.96 1ub1 n ARG 163 Cb 0.00 -1.54 0.00 0.00 0.00 0.00 0.00 32.46 30.92 1ub1 n ARG 163 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1ub1 n GLY 164 N 0.92 1.33 3.62 -0.13 0.00 0.29 -4.84 105.19 106.38 1ub1 n GLY 164 Ca 0.06 -0.58 -0.41 0.00 0.00 0.00 0.00 46.02 45.09 1ub1 n GLY 164 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ub1 s SER 165 N -4.00 6.58 -0.06 1.61 0.01 -1.26 -3.93 113.70 112.64 1ub1 s SER 165 Ca 0.00 0.69 -0.26 0.00 1.31 0.00 0.00 55.95 57.69 1ub1 s SER 165 Cb 0.00 -2.34 -0.23 0.00 0.21 0.00 0.00 66.02 63.66 1ub1 s SER 165 CO 0.00 -0.40 1.04 1.55 0.41 0.00 0.00 173.24 175.84 1ub1 h PRO 166 N 7.92 0.08 0.00 12.44 0.13 -1.88 -3.36 132.00 147.33 1ub1 h PRO 166 Ca -0.26 -0.08 0.00 0.00 -0.87 0.00 0.00 66.00 64.78 1ub1 h PRO 166 Cb 1.12 0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.27 1ub1 h PRO 166 CO 0.78 0.81 0.00 0.45 -0.23 0.00 0.00 178.00 179.81 1ub1 n SER 167 N -4.64 0.00 -0.06 1.44 2.88 -1.26 -4.96 113.62 107.02 1ub1 n SER 167 Ca -0.09 0.96 0.00 0.00 -1.33 0.00 0.00 58.87 58.41 1ub1 n SER 167 Cb 0.42 -0.46 0.00 0.00 -0.75 0.00 0.00 64.21 63.42 1ub1 n SER 167 CO 0.00 0.00 0.00 -1.14 -1.23 0.00 0.00 175.04 172.67 1ub1 n ARG 168 N -2.56 0.00 0.00 -1.46 0.63 -1.26 -5.19 116.66 106.82 1ub1 n ARG 168 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 1ub1 n ARG 168 Cb 0.00 0.00 0.00 0.00 0.45 0.00 0.00 32.46 32.91 1ub1 n ARG 168 CO 0.00 0.00 0.00 2.89 -2.51 0.00 0.00 177.63 178.01 1ub1 n ARG 169 N 0.00 -2.90 -0.87 -0.14 -4.01 -1.26 -4.66 116.66 102.81 1ub1 n ARG 169 Ca 0.00 0.00 0.00 0.00 -1.04 0.00 0.00 57.85 56.81 1ub1 n ARG 169 Cb 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 32.46 29.42 1ub1 n ARG 169 CO 0.00 0.00 0.00 0.39 -3.04 0.00 0.00 177.63 174.98 1ub1 n GLU 170 N -0.09 -1.35 -3.85 2.89 -0.58 -1.26 -5.10 120.64 111.30 1ub1 n GLU 170 Ca 0.00 1.33 -0.11 0.00 -0.42 0.00 0.00 57.16 57.96 1ub1 n GLU 170 Cb 0.00 -1.03 -0.09 0.00 -0.57 0.00 0.00 31.44 29.76 1ub1 n GLU 170 CO 0.00 0.00 0.00 -1.14 -0.48 0.00 0.00 177.13 175.51 1ub1 s GLN 171 N -2.45 0.65 0.03 3.49 -0.44 -1.26 -5.17 119.66 114.51 1ub1 s GLN 171 Ca 0.00 -0.58 0.01 0.00 -2.50 0.00 0.00 55.36 52.29 1ub1 s GLN 171 Cb 0.00 0.27 -0.02 0.00 -1.64 0.00 0.00 33.01 31.62 1ub1 s GLN 171 CO 0.00 -0.18 -0.05 -0.98 0.50 0.00 0.00 175.29 174.58 1ub1 s ARG 172 N -2.33 0.37 0.59 1.67 1.70 -1.26 -5.15 118.95 114.54 1ub1 s ARG 172 Ca -0.07 -0.62 -0.16 0.00 -0.47 0.00 0.00 55.73 54.42 1ub1 s ARG 172 Cb -0.02 -0.05 -0.04 0.00 -0.57 0.00 0.00 34.95 34.27 1ub1 s ARG 172 CO -0.03 -0.01 1.05 -1.25 -1.08 0.00 0.00 175.30 173.99 1ub1 s PRO 173 N -1.39 3.38 0.00 3.89 0.04 -1.26 -5.07 135.00 134.59 1ub1 s PRO 173 Ca -0.13 1.17 0.00 0.00 0.04 0.00 0.00 61.00 62.08 1ub1 s PRO 173 Cb -0.09 -2.04 0.00 0.00 0.04 0.00 0.00 34.50 32.41 1ub1 s PRO 173 CO -0.00 -0.76 0.00 -0.35 0.04 0.00 0.00 177.00 175.93 1ub1 n PRO 174 N -2.02 0.67 -3.04 0.56 -0.04 -1.26 -5.09 135.00 124.78 1ub1 n PRO 174 Ca 0.08 0.00 0.02 0.00 -0.04 0.00 0.00 63.50 63.57 1ub1 n PRO 174 Cb 0.53 0.00 -0.00 0.00 -0.04 0.00 0.00 33.50 33.99 1ub1 n PRO 174 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 1ub1 s LYS 175 N -0.67 0.48 0.14 0.54 2.20 -1.26 -5.16 119.74 116.01 1ub1 s LYS 175 Ca 0.00 -0.05 0.02 0.00 -0.36 0.00 0.00 55.97 55.58 1ub1 s LYS 175 Cb 0.00 0.08 -0.04 0.00 -1.51 0.00 0.00 37.83 36.37 1ub1 s LYS 175 CO 0.00 -0.73 0.26 0.21 -0.36 0.00 0.00 175.35 174.72 1ub1 s LYS 176 N 2.12 3.38 0.27 4.03 2.20 -1.26 -5.12 119.74 125.37 1ub1 s LYS 176 Ca 0.16 -0.60 0.03 0.00 -0.36 0.00 0.00 55.97 55.20 1ub1 s LYS 176 Cb -0.02 -2.95 0.03 0.00 -1.51 0.00 0.00 37.83 33.38 1ub1 s LYS 176 CO -0.14 0.53 0.21 0.00 -0.36 0.00 0.00 175.35 175.59 1ub1 n ALA 177 N -0.39 0.43 -2.32 3.13 0.00 -1.26 -5.16 120.51 114.94 1ub1 n ALA 177 Ca -0.07 -1.10 -0.17 0.00 0.00 0.00 0.00 53.44 52.10 1ub1 n ALA 177 Cb 0.54 0.45 -0.10 0.00 0.00 0.00 0.00 19.45 20.34 1ub1 n ALA 177 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1ub1 s LYS 178 N -3.13 1.32 -0.30 0.00 2.47 -1.26 -5.15 119.74 113.69 1ub1 s LYS 178 Ca 0.16 -1.67 -0.14 0.00 -1.56 0.00 0.00 55.97 52.76 1ub1 s LYS 178 Cb -0.01 -0.60 0.18 0.00 -1.46 0.00 0.00 37.83 35.94 1ub1 s LYS 178 CO 0.10 -0.10 1.03 -1.54 0.16 0.00 0.00 175.35 175.01 1ub1 s SER 179 N -3.30 -0.50 0.65 1.43 1.04 -1.26 -5.17 113.70 106.59 1ub1 s SER 179 Ca 0.28 0.49 -0.13 0.00 0.48 0.00 0.00 55.95 57.07 1ub1 s SER 179 Cb 0.06 1.49 -0.01 0.00 0.10 0.00 0.00 66.02 67.65 1ub1 s SER 179 CO 0.08 -0.09 1.05 -2.16 0.98 0.00 0.00 173.24 173.10 1ub1 s PRO 180 N 2.64 3.13 -0.29 4.02 0.04 -1.26 -5.07 135.00 138.22 1ub1 s PRO 180 Ca -0.00 1.04 -0.05 0.00 0.04 0.00 0.00 61.00 62.03 1ub1 s PRO 180 Cb -0.08 -2.01 0.16 0.00 0.04 0.00 0.00 34.50 32.61 1ub1 s PRO 180 CO -0.15 -0.95 0.60 -1.59 0.04 0.00 0.00 177.00 174.95 1ub1 s LYS 181 N -4.65 0.55 -0.30 4.56 0.00 -1.26 -5.11 119.74 113.53 1ub1 s LYS 181 Ca 0.60 1.14 -0.14 0.00 0.00 0.00 0.00 55.97 57.57 1ub1 s LYS 181 Cb -0.14 0.60 0.19 0.00 0.00 0.00 0.00 37.83 38.47 1ub1 s LYS 181 CO 0.47 -0.46 1.15 0.45 0.00 0.00 0.00 175.35 176.97 1ub1 s SER 182 N 2.85 -0.08 -0.08 0.03 0.15 -1.26 -5.06 113.70 110.25 1ub1 s SER 182 Ca 0.10 -0.01 -0.23 0.00 0.70 0.00 0.00 55.95 56.50 1ub1 s SER 182 Cb -0.14 0.58 -0.19 0.00 -1.71 0.00 0.00 66.02 64.56 1ub1 s SER 182 CO -0.20 -0.01 0.87 1.55 1.20 0.00 0.00 173.24 176.65 1ub1 h PRO 183 N 6.09 -0.08 0.00 5.44 0.13 -2.08 -3.50 132.00 138.00 1ub1 h PRO 183 Ca -0.08 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.05 1ub1 h PRO 183 Cb 1.21 0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1ub1 h PRO 183 CO -0.14 0.52 0.00 0.41 -0.23 0.00 0.00 178.00 178.56 1ub1 n GLY 184 N 0.93 0.05 1.15 1.56 0.00 -1.26 -5.10 105.19 102.51 1ub1 n GLY 184 Ca -0.08 -0.50 0.00 0.00 0.00 0.00 0.00 46.02 45.44 1ub1 n GLY 184 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1ub1 n SER 185 N 0.00 -1.53 -3.53 1.61 2.88 -1.26 -5.13 113.62 106.67 1ub1 n SER 185 Ca 0.00 0.00 -0.12 0.00 -1.33 0.00 0.00 58.87 57.42 1ub1 n SER 185 Cb 0.00 -0.76 -0.04 0.00 -0.75 0.00 0.00 64.21 62.66 1ub1 n SER 185 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1ub1 s GLY 186 N -0.17 -0.46 0.47 0.46 0.00 -1.26 -5.18 107.32 101.18 1ub1 s GLY 186 Ca 0.00 0.36 0.07 0.00 0.00 0.00 0.00 44.72 45.15 1ub1 s GLY 186 CO 0.00 0.06 0.31 0.50 0.00 0.00 0.00 173.10 173.97 1ub1 s ARG 187 N -3.39 2.32 0.00 2.90 3.00 -1.26 -5.12 118.95 117.40 1ub1 s ARG 187 Ca -0.00 -1.84 0.00 0.00 0.00 0.00 0.00 55.73 53.88 1ub1 s ARG 187 Cb 0.00 -2.12 0.00 0.00 0.00 0.00 0.00 34.95 32.83 1ub1 s ARG 187 CO -0.09 -0.33 0.00 0.41 0.00 0.00 0.00 175.30 175.29 1ub1 n GLY 188 N -1.52 2.83 0.72 -3.53 0.00 -1.26 -5.12 105.19 97.32 1ub1 n GLY 188 Ca -0.01 0.01 -0.01 0.00 0.00 0.00 0.00 46.02 46.02 1ub1 n GLY 188 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1ub1 n ARG 189 N 0.00 0.04 0.00 1.61 3.00 -1.26 -5.16 116.66 114.89 1ub1 n ARG 189 Ca 0.00 0.02 0.00 0.00 -0.00 0.00 0.00 57.85 57.87 1ub1 n ARG 189 Cb 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 32.46 32.16 1ub1 n ARG 189 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1ub1 n GLY 190 N 2.91 1.72 3.21 5.14 0.00 -1.26 -5.11 105.19 111.80 1ub1 n GLY 190 Ca -0.01 -2.01 -0.09 0.00 0.00 0.00 0.00 46.02 43.91 1ub1 n GLY 190 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ub1 s ARG 191 N -2.20 0.98 -0.17 1.61 0.52 -1.26 -5.12 118.95 113.31 1ub1 s ARG 191 Ca 0.00 -1.32 -0.29 0.00 -0.52 0.00 0.00 55.73 53.60 1ub1 s ARG 191 Cb 0.00 0.29 -0.01 0.00 0.52 0.00 0.00 34.95 35.74 1ub1 s ARG 191 CO 0.00 -0.30 1.27 -1.25 0.02 0.00 0.00 175.30 175.04 1ub1 s PRO 192 N -4.00 4.22 0.05 3.54 0.04 -1.26 -4.96 135.00 132.63 1ub1 s PRO 192 Ca 0.20 1.66 -0.30 0.00 0.04 0.00 0.00 61.00 62.60 1ub1 s PRO 192 Cb 0.06 -3.78 -0.08 0.00 0.04 0.00 0.00 34.50 30.74 1ub1 s PRO 192 CO -0.00 -0.72 1.77 0.15 0.04 0.00 0.00 177.00 178.24 1ub1 s LYS 193 N 3.54 4.17 0.00 4.56 -0.14 -1.26 -4.93 119.74 125.67 1ub1 s LYS 193 Ca 0.55 2.43 0.00 0.00 -1.36 0.00 0.00 55.97 57.60 1ub1 s LYS 193 Cb -0.22 -3.82 0.00 0.00 -1.68 0.00 0.00 37.83 32.12 1ub1 s LYS 193 CO 0.15 -0.84 0.00 0.41 -0.76 0.00 0.00 175.35 174.32 1ub1 n GLY 194 N 4.21 0.49 3.29 -3.33 0.00 -1.26 -4.89 105.19 103.70 1ub1 n GLY 194 Ca 0.18 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.75 1ub1 n GLY 194 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ub1 s SER 195 N -1.00 6.17 0.00 1.61 0.01 -1.26 -5.34 113.70 113.89 1ub1 s SER 195 Ca 0.00 -2.01 0.20 0.00 1.31 0.00 0.00 55.95 55.46 1ub1 s SER 195 Cb 0.00 -2.16 0.16 0.00 0.21 0.00 0.00 66.02 64.23 1ub1 s SER 195 CO 0.00 -0.76 1.14 0.61 0.41 0.00 0.00 173.24 174.63