#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ub1 h PRO 73 N 0.00 -0.33 -2.12 0.00 0.13 -2.16 -3.50 132.00 124.02 1ub1 h PRO 73 Ca 0.00 0.02 0.27 0.00 -0.87 0.00 0.00 66.00 65.43 1ub1 h PRO 73 Cb 0.00 0.08 -0.07 0.00 0.13 0.00 0.00 31.00 31.14 1ub1 h PRO 73 CO 0.00 -0.22 0.76 0.00 -0.23 0.00 0.00 178.00 178.31 1ub1 s ALA 74 N -3.42 -2.10 -0.42 -0.56 0.00 -1.26 -5.10 121.76 108.90 1ub1 s ALA 74 Ca -0.05 0.07 0.08 0.00 0.00 0.00 0.00 51.96 52.05 1ub1 s ALA 74 Cb 0.01 0.73 0.26 0.00 0.00 0.00 0.00 23.12 24.11 1ub1 s ALA 74 CO 0.15 -1.10 0.69 1.55 0.00 0.00 0.00 175.76 177.05 1ub1 n VAL 75 N -0.73 -0.39 -1.53 0.00 3.14 -1.26 -5.14 118.33 112.43 1ub1 n VAL 75 Ca -0.02 -3.18 -0.30 0.00 -2.96 0.00 0.00 64.34 57.89 1ub1 n VAL 75 Cb 0.60 -0.55 0.20 0.00 -1.06 0.00 0.00 33.84 33.03 1ub1 n VAL 75 CO 0.00 0.00 0.00 -2.16 -6.46 0.00 0.00 176.83 168.21 1ub1 s PRO 76 N -0.67 -0.06 -0.31 1.45 0.04 -1.26 -5.06 135.00 129.12 1ub1 s PRO 76 Ca 0.34 -0.17 -0.07 0.00 0.04 0.00 0.00 61.00 61.14 1ub1 s PRO 76 Cb 0.21 -1.74 0.24 0.00 0.04 0.00 0.00 34.50 33.26 1ub1 s PRO 76 CO -0.14 -2.92 1.22 -1.91 0.04 0.00 0.00 177.00 173.29 1ub1 n GLU 77 N -4.18 0.02 -4.10 4.56 4.07 -1.26 -5.14 120.64 114.61 1ub1 n GLU 77 Ca 0.13 -0.55 -0.35 0.00 -0.06 0.00 0.00 57.16 56.34 1ub1 n GLU 77 Cb 0.59 0.23 -0.13 0.00 -0.06 0.00 0.00 31.44 32.07 1ub1 n GLU 77 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1ub1 s ALA 78 N 0.58 2.94 -0.10 4.31 0.00 -1.26 -4.98 121.76 123.25 1ub1 s ALA 78 Ca 0.24 -1.02 -0.12 0.00 0.00 0.00 0.00 51.96 51.06 1ub1 s ALA 78 Cb 0.17 -1.70 -0.05 0.00 0.00 0.00 0.00 23.12 21.55 1ub1 s ALA 78 CO -0.09 -0.17 -0.24 -1.13 0.00 0.00 0.00 175.76 174.13 1ub1 n SER 79 N 4.30 1.62 -1.17 0.00 3.41 -1.26 -5.12 113.62 115.40 1ub1 n SER 79 Ca -0.17 0.26 0.15 0.00 -0.26 0.00 0.00 58.87 58.85 1ub1 n SER 79 Cb 0.52 -0.60 -0.06 0.00 -0.26 0.00 0.00 64.21 63.81 1ub1 n SER 79 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ub1 n ALA 80 N -4.10 -3.06 -3.23 7.33 0.00 -1.26 -4.94 120.51 111.24 1ub1 n ALA 80 Ca -0.13 0.58 -0.02 0.00 0.00 0.00 0.00 53.44 53.87 1ub1 n ALA 80 Cb 0.40 -1.18 -0.02 0.00 0.00 0.00 0.00 19.45 18.65 1ub1 n ALA 80 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1ub1 s SER 81 N -6.81 -1.09 0.12 0.00 1.04 -1.26 -5.14 113.70 100.56 1ub1 s SER 81 Ca 0.00 -0.85 -0.30 0.00 0.48 0.00 0.00 55.95 55.28 1ub1 s SER 81 Cb 0.00 1.74 -0.06 0.00 0.10 0.00 0.00 66.02 67.79 1ub1 s SER 81 CO 0.00 -0.19 1.14 -2.16 0.98 0.00 0.00 173.24 173.01 1ub1 s PRO 82 N 1.85 4.51 0.17 4.02 0.04 -1.26 -5.03 135.00 139.30 1ub1 s PRO 82 Ca 0.16 1.73 -0.09 0.00 0.04 0.00 0.00 61.00 62.84 1ub1 s PRO 82 Cb -0.06 -3.32 -0.06 0.00 0.04 0.00 0.00 34.50 31.10 1ub1 s PRO 82 CO -0.08 -0.09 0.48 0.15 0.04 0.00 0.00 177.00 177.50 1ub1 s LYS 83 N 0.35 3.76 0.49 4.56 -0.14 -1.26 -5.02 119.74 122.47 1ub1 s LYS 83 Ca 0.54 0.18 -0.17 0.00 -1.36 0.00 0.00 55.97 55.15 1ub1 s LYS 83 Cb -0.29 -2.78 -0.14 0.00 -1.68 0.00 0.00 37.83 32.93 1ub1 s LYS 83 CO 0.32 0.41 -0.14 1.04 -0.76 0.00 0.00 175.35 176.23 1ub1 n GLN 84 N 0.18 0.00 -0.98 1.68 3.00 -1.26 -4.76 117.38 115.24 1ub1 n GLN 84 Ca -0.02 0.00 -0.18 0.00 -0.01 0.00 0.00 57.00 56.79 1ub1 n GLN 84 Cb 0.52 -0.94 0.02 0.00 0.00 0.00 0.00 30.24 29.83 1ub1 n GLN 84 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.06 174.93 1ub1 n ARG 85 N 1.45 1.87 -3.46 -1.09 3.00 -1.26 -4.83 116.66 112.35 1ub1 n ARG 85 Ca 0.07 -1.62 -0.43 0.00 -0.00 0.00 0.00 57.85 55.87 1ub1 n ARG 85 Cb 0.45 -1.69 -0.08 0.00 0.00 0.00 0.00 32.46 31.14 1ub1 n ARG 85 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.63 178.13 1ub1 s ARG 86 N -1.66 2.87 -0.10 -0.14 3.52 -1.26 -4.75 118.95 117.43 1ub1 s ARG 86 Ca 0.35 -1.36 0.04 0.00 -0.13 0.00 0.00 55.73 54.63 1ub1 s ARG 86 Cb 0.26 -4.02 0.12 0.00 -1.56 0.00 0.00 34.95 29.75 1ub1 s ARG 86 CO -0.04 -0.99 0.82 0.45 -0.81 0.00 0.00 175.30 174.73 1ub1 n SER 87 N 5.12 -0.68 -3.48 -2.12 2.88 -1.26 -5.02 113.62 109.05 1ub1 n SER 87 Ca -0.12 -1.39 -0.37 0.00 -1.33 0.00 0.00 58.87 55.66 1ub1 n SER 87 Cb 0.44 0.28 0.00 0.00 -0.75 0.00 0.00 64.21 64.17 1ub1 n SER 87 CO 0.00 0.00 0.00 -0.38 -1.23 0.00 0.00 175.04 173.43 1ub1 n ILE 88 N -0.45 5.26 0.00 2.46 5.41 -1.26 -4.90 119.36 125.88 1ub1 n ILE 88 Ca -0.12 -5.87 0.00 0.00 1.00 0.00 0.00 62.75 57.75 1ub1 n ILE 88 Cb 0.61 -1.55 0.00 0.00 -0.71 0.00 0.00 39.64 37.98 1ub1 n ILE 88 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1ub1 n ILE 89 N -0.01 0.00 -3.77 1.39 3.06 -1.26 -4.85 119.36 113.91 1ub1 n ILE 89 Ca 0.42 0.79 0.00 0.00 -2.50 0.00 0.00 62.75 61.45 1ub1 n ILE 89 Cb 0.30 -1.41 0.00 0.00 0.54 0.00 0.00 39.64 39.07 1ub1 n ILE 89 CO 0.00 0.00 0.00 -1.14 -2.50 0.00 0.00 176.55 172.91 1ub1 n ARG 90 N -0.51 0.00 -3.42 9.51 0.63 -1.26 -4.73 116.66 116.88 1ub1 n ARG 90 Ca 0.00 0.00 -0.14 0.00 -0.92 0.00 0.00 57.85 56.79 1ub1 n ARG 90 Cb 0.00 0.00 -0.10 0.00 0.45 0.00 0.00 32.46 32.81 1ub1 n ARG 90 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 1ub1 s ASP 91 N -4.00 0.82 -1.07 6.15 -0.00 -1.26 -5.08 116.67 112.23 1ub1 s ASP 91 Ca 0.00 -0.03 -0.19 0.00 -0.00 0.00 0.00 52.55 52.32 1ub1 s ASP 91 Cb 0.00 0.76 0.10 0.00 -0.00 0.00 0.00 42.92 43.77 1ub1 s ASP 91 CO 0.00 -0.32 1.40 -0.60 -0.00 0.00 0.00 175.17 175.65 1ub1 s ARG 92 N 2.44 3.74 0.40 8.23 6.06 -1.26 -4.90 118.95 133.66 1ub1 s ARG 92 Ca 0.10 -1.70 0.00 0.00 -2.50 0.00 0.00 55.73 51.63 1ub1 s ARG 92 Cb -0.15 -5.21 0.00 0.00 0.06 0.00 0.00 34.95 29.65 1ub1 s ARG 92 CO -0.15 -2.02 0.00 0.41 -2.50 0.00 0.00 175.30 171.04 1ub1 n GLY 93 N 5.77 -2.11 3.56 8.12 0.00 -1.26 -4.30 105.19 114.97 1ub1 n GLY 93 Ca 0.34 -0.77 -0.34 0.00 0.00 0.00 0.00 46.02 45.25 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 -3.67 3.10 -0.14 1.61 0.04 -1.26 -4.61 135.00 130.07 1ub1 s PRO 94 Ca 0.00 -0.77 -0.02 0.00 0.04 0.00 0.00 61.00 60.25 1ub1 s PRO 94 Cb 0.00 -5.23 -0.08 0.00 0.04 0.00 0.00 34.50 29.23 1ub1 s PRO 94 CO 0.00 -2.80 -0.15 -0.12 0.04 0.00 0.00 177.00 173.98 1ub1 n MET 95 N 8.84 0.33 -1.85 4.56 1.56 -1.26 -5.05 117.12 124.25 1ub1 n MET 95 Ca 0.37 0.10 -0.02 0.00 -0.27 0.00 0.00 57.70 57.88 1ub1 n MET 95 Cb 0.49 -1.18 -0.00 0.00 2.15 0.00 0.00 33.22 34.68 1ub1 n MET 95 CO 0.00 0.00 0.00 2.48 -0.73 0.00 0.00 175.97 177.72 1ub1 n TYR 96 N -3.18 -0.94 -2.60 1.12 0.18 -1.26 -4.74 117.16 105.74 1ub1 n TYR 96 Ca -0.26 -0.18 0.00 0.00 1.88 0.00 0.00 57.90 59.34 1ub1 n TYR 96 Cb 0.74 -0.03 0.00 0.00 -0.38 0.00 0.00 39.34 39.67 1ub1 n TYR 96 CO 0.00 0.00 0.00 -0.25 -2.08 0.00 0.00 176.86 174.53 1ub1 n ASP 97 N -1.67 0.40 0.00 9.48 10.43 -1.26 -5.03 116.55 128.89 1ub1 n ASP 97 Ca -0.01 -0.41 0.00 0.00 2.57 0.00 0.00 54.79 56.95 1ub1 n ASP 97 Cb 0.05 0.00 0.00 0.00 1.84 0.00 0.00 41.12 43.01 1ub1 n ASP 97 CO 0.00 0.00 0.00 -0.67 -1.07 0.00 0.00 177.20 175.46 1ub1 n ASP 98 N -1.06 0.00 -2.70 -2.24 2.03 -1.26 -5.00 116.55 106.33 1ub1 n ASP 98 Ca 0.00 0.00 -0.19 0.00 0.52 0.00 0.00 54.79 55.12 1ub1 n ASP 98 Cb 0.00 0.00 -0.07 0.00 -0.72 0.00 0.00 41.12 40.33 1ub1 n ASP 98 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 1ub1 n PRO 99 N 0.00 2.16 0.00 -0.67 -0.04 -1.26 -4.62 135.00 130.57 1ub1 n PRO 99 Ca 0.00 -1.28 0.00 0.00 -0.04 0.00 0.00 63.50 62.18 1ub1 n PRO 99 Cb 0.00 -2.25 0.00 0.00 -0.04 0.00 0.00 33.50 31.21 1ub1 n PRO 99 CO 0.00 0.00 0.00 -2.37 -0.04 0.00 0.00 175.50 173.09 1ub1 n THR 100 N 3.30 0.00 -1.22 0.52 5.66 -1.26 -5.07 114.28 116.21 1ub1 n THR 100 Ca 0.46 0.00 -0.29 0.00 -3.05 0.00 0.00 64.05 61.17 1ub1 n THR 100 Cb 0.42 0.00 -0.14 0.00 -1.55 0.00 0.00 70.33 69.06 1ub1 n THR 100 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 175.07 172.20 1ub1 n LEU 101 N 0.00 -0.16 0.00 1.09 7.99 -1.25 -4.65 117.00 120.03 1ub1 n LEU 101 Ca 0.00 -0.01 0.12 0.00 -0.01 0.00 0.00 56.01 56.10 1ub1 n LEU 101 Cb 0.00 -0.66 0.66 0.00 -0.11 0.00 0.00 43.42 43.31 1ub1 n LEU 101 CO 0.00 -0.75 0.88 -0.81 -1.51 0.00 0.00 177.39 175.21 1ub1 n PRO 102 N 6.28 0.60 -2.96 3.23 -0.04 -1.26 -2.48 135.00 138.36 1ub1 n PRO 102 Ca 0.54 0.03 -0.31 0.00 -0.04 0.00 0.00 63.50 63.72 1ub1 n PRO 102 Cb 0.05 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 31.98 1ub1 n PRO 102 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1ub1 n GLU 103 N -1.10 3.65 0.00 0.54 0.28 -1.26 -4.82 120.64 117.92 1ub1 n GLU 103 Ca 0.15 -4.78 0.00 0.00 -0.16 0.00 0.00 57.16 52.37 1ub1 n GLU 103 Cb 0.12 -2.30 0.00 0.00 1.43 0.00 0.00 31.44 30.68 1ub1 n GLU 103 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1ub1 n GLY 104 N 0.05 0.22 3.22 -1.84 0.00 -1.24 -5.05 105.19 100.55 1ub1 n GLY 104 Ca 0.34 0.06 -0.41 0.00 0.00 0.00 0.00 46.02 46.00 1ub1 n GLY 104 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 1ub1 s TRP 105 N 0.00 3.41 0.14 1.61 1.48 -1.03 -4.33 118.94 120.21 1ub1 s TRP 105 Ca 0.00 -1.80 -0.20 0.00 -1.06 0.00 0.00 56.10 53.04 1ub1 s TRP 105 Cb 0.00 -3.54 0.05 0.00 -1.16 0.00 0.00 33.47 28.83 1ub1 s TRP 105 CO 0.00 -1.00 0.51 -0.08 -4.06 0.00 0.00 176.95 172.32 1ub1 s THR 106 N 1.39 0.03 -0.26 0.66 -1.32 -0.93 -3.85 115.64 111.37 1ub1 s THR 106 Ca 0.05 -0.27 -0.14 0.00 -1.21 0.00 0.00 61.69 60.13 1ub1 s THR 106 Cb -0.27 -1.07 -0.04 0.00 -1.51 0.00 0.00 72.50 69.61 1ub1 s THR 106 CO -0.00 -0.15 0.33 0.00 -2.21 0.00 0.00 174.62 172.59 1ub1 s ARG 107 N -3.70 4.04 0.17 7.08 1.04 -1.26 -0.29 118.95 126.03 1ub1 s ARG 107 Ca 0.01 -0.02 0.07 0.00 -1.04 0.00 0.00 55.73 54.76 1ub1 s ARG 107 Cb 0.00 -3.63 -0.04 0.00 -2.04 0.00 0.00 34.95 29.25 1ub1 s ARG 107 CO -0.12 -0.19 0.01 0.15 -0.04 0.00 0.00 175.30 175.11 1ub1 s LYS 108 N 1.81 2.45 -0.01 3.89 3.01 1.82 -4.51 119.74 128.20 1ub1 s LYS 108 Ca 0.14 -1.08 0.06 0.00 -1.01 0.00 0.00 55.97 54.07 1ub1 s LYS 108 Cb -0.15 -2.39 -0.03 0.00 -1.01 0.00 0.00 37.83 34.25 1ub1 s LYS 108 CO 0.09 0.46 -0.18 -1.17 0.51 0.00 0.00 175.35 175.06 1ub1 s LEU 109 N -2.96 2.54 -0.13 3.17 0.20 -1.26 0.60 118.68 120.83 1ub1 s LEU 109 Ca 0.28 -0.33 -0.29 0.00 0.69 0.00 0.00 54.13 54.48 1ub1 s LEU 109 Cb -0.09 -1.49 0.08 0.00 -0.43 0.00 0.00 46.19 44.26 1ub1 s LEU 109 CO 0.19 0.31 0.78 -0.54 -0.29 0.00 0.00 176.35 176.80 1ub1 s LYS 110 N -0.93 0.88 -0.13 1.98 3.01 0.66 -4.91 119.74 120.30 1ub1 s LYS 110 Ca 0.12 0.41 -0.09 0.00 -1.01 0.00 0.00 55.97 55.40 1ub1 s LYS 110 Cb -0.10 0.42 -0.04 0.00 -1.01 0.00 0.00 37.83 37.09 1ub1 s LYS 110 CO 0.02 -0.24 0.18 1.14 0.51 0.00 0.00 175.35 176.95 1ub1 s GLN 111 N -0.76 3.72 0.00 1.68 -2.07 -1.26 0.28 119.66 121.24 1ub1 s GLN 111 Ca -0.06 -0.08 0.00 0.00 -1.82 0.00 0.00 55.36 53.40 1ub1 s GLN 111 Cb -0.01 -3.26 0.00 0.00 -1.09 0.00 0.00 33.01 28.64 1ub1 s GLN 111 CO 0.05 0.62 0.00 0.54 -1.32 0.00 0.00 175.29 175.19 1ub1 n ARG 112 N 2.43 0.00 0.00 9.60 5.12 -1.26 -4.90 116.66 127.65 1ub1 n ARG 112 Ca -0.18 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.74 1ub1 n ARG 112 Cb 0.54 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.84 1ub1 n ARG 112 CO 0.00 0.00 0.00 1.17 -1.93 0.00 0.00 177.63 176.87 1ub1 n LYS 113 N -0.87 0.00 -2.96 5.56 4.81 -1.26 -4.96 118.16 118.47 1ub1 n LYS 113 Ca 0.00 0.00 -0.44 0.00 -0.87 0.00 0.00 58.31 57.00 1ub1 n LYS 113 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 1ub1 n LYS 113 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 1ub1 n SER 114 N 0.00 5.41 0.00 3.14 2.88 -1.26 -4.89 113.62 118.90 1ub1 n SER 114 Ca 0.00 -3.06 0.00 0.00 -1.33 0.00 0.00 58.87 54.48 1ub1 n SER 114 Cb 0.00 -1.47 0.00 0.00 -0.75 0.00 0.00 64.21 61.99 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 3.21 0.74 0.00 0.46 0.00 -1.26 -4.61 105.19 103.73 1ub1 n GLY 115 Ca 0.33 -2.05 0.00 0.00 0.00 0.00 0.00 46.02 44.30 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 0.00 0.00 -0.46 1.61 5.12 -1.26 -3.89 116.66 117.78 1ub1 n ARG 116 Ca 0.00 0.06 0.09 0.00 -1.93 0.00 0.00 57.85 56.07 1ub1 n ARG 116 Cb 0.00 -0.62 0.30 0.00 -1.16 0.00 0.00 32.46 30.98 1ub1 n ARG 116 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 1ub1 n SER 117 N -0.18 4.16 0.00 0.55 2.88 -1.26 -5.04 113.62 114.73 1ub1 n SER 117 Ca 0.00 -2.34 0.00 0.00 -1.33 0.00 0.00 58.87 55.20 1ub1 n SER 117 Cb 0.00 -0.49 0.00 0.00 -0.75 0.00 0.00 64.21 62.97 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 0.92 0.00 0.00 -1.46 0.00 -1.25 -4.86 120.51 113.86 1ub1 n ALA 118 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.66 1ub1 n ALA 118 Cb 0.75 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.20 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 1.09 3.80 0.00 0.00 -1.26 -5.02 105.19 103.80 1ub1 n GLY 119 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 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 2.90 0.00 1.61 3.01 -1.26 -5.12 119.74 120.88 1ub1 s LYS 120 Ca 0.00 -0.86 0.00 0.00 -1.01 0.00 0.00 55.97 54.10 1ub1 s LYS 120 Cb 0.00 -2.65 0.00 0.00 -1.01 0.00 0.00 37.83 34.17 1ub1 s LYS 120 CO 0.00 0.49 0.00 0.66 0.51 0.00 0.00 175.35 177.01 1ub1 n TYR 121 N -0.29 -2.30 -3.92 3.18 4.01 -1.26 -4.56 117.16 112.02 1ub1 n TYR 121 Ca -0.08 0.00 -0.10 0.00 -0.16 0.00 0.00 57.90 57.56 1ub1 n TYR 121 Cb 0.54 0.00 -0.09 0.00 -0.31 0.00 0.00 39.34 39.48 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 -1.69 0.16 0.12 7.72 2.15 0.79 -4.78 116.67 121.13 1ub1 s ASP 122 Ca 0.00 -0.50 -0.04 0.00 0.43 0.00 0.00 52.55 52.44 1ub1 s ASP 122 Cb 0.00 0.23 -0.05 0.00 -0.30 0.00 0.00 42.92 42.80 1ub1 s ASP 122 CO 0.00 -0.50 0.35 -0.69 -0.17 0.00 0.00 175.17 174.15 1ub1 s VAL 123 N -2.52 5.20 -0.06 1.11 1.01 -1.26 0.24 120.40 124.12 1ub1 s VAL 123 Ca -0.06 0.00 -0.01 0.00 0.00 0.00 0.00 61.98 61.92 1ub1 s VAL 123 Cb -0.02 -3.62 0.03 0.00 0.00 0.00 0.00 36.38 32.77 1ub1 s VAL 123 CO -0.04 0.09 0.01 -0.47 0.00 0.00 0.00 175.10 174.69 1ub1 s TYR 124 N -1.60 0.49 -0.33 5.22 6.14 2.52 -4.22 117.35 125.57 1ub1 s TYR 124 Ca 0.39 -0.05 -0.09 0.00 0.64 0.00 0.00 57.07 57.95 1ub1 s TYR 124 Cb -0.12 -0.68 0.01 0.00 0.42 0.00 0.00 41.96 41.59 1ub1 s TYR 124 CO 0.24 -0.27 0.15 -0.51 0.64 0.00 0.00 175.55 175.81 1ub1 s LEU 125 N 1.87 4.27 -0.15 6.97 1.43 0.22 0.49 118.68 133.77 1ub1 s LEU 125 Ca 0.03 -0.74 -0.13 0.00 -1.03 0.00 0.00 54.13 52.26 1ub1 s LEU 125 Cb -0.12 -1.98 -0.05 0.00 0.03 0.00 0.00 46.19 44.07 1ub1 s LEU 125 CO -0.04 -0.26 0.27 -0.63 0.23 0.00 0.00 176.35 175.92 1ub1 s ILE 126 N 1.56 5.31 0.63 -0.59 1.01 0.60 0.24 121.20 129.96 1ub1 s ILE 126 Ca 0.03 0.50 -0.05 0.00 0.00 0.00 0.00 60.65 61.13 1ub1 s ILE 126 Cb -0.18 -3.60 0.13 0.00 0.01 0.00 0.00 42.46 38.82 1ub1 s ILE 126 CO 0.06 0.42 0.86 0.59 0.00 0.00 0.00 174.94 176.86 1ub1 n ASN 127 N 3.35 0.61 -2.09 3.58 3.02 -0.75 -2.18 115.26 120.80 1ub1 n ASN 127 Ca -0.13 -1.64 -0.08 0.00 -0.03 0.00 0.00 54.58 52.70 1ub1 n ASN 127 Cb 0.52 -0.60 -0.12 0.00 -0.61 0.00 0.00 39.78 38.97 1ub1 n ASN 127 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 1ub1 n PRO 128 N -2.70 1.44 0.06 3.52 -0.04 -1.26 -3.16 135.00 132.86 1ub1 n PRO 128 Ca 0.12 -0.69 0.00 0.00 -0.04 0.00 0.00 63.50 62.89 1ub1 n PRO 128 Cb 0.44 -1.82 0.00 0.00 -0.04 0.00 0.00 33.50 32.08 1ub1 n PRO 128 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1ub1 n GLN 129 N 2.55 0.00 0.00 0.54 6.02 -1.26 -5.01 117.38 120.22 1ub1 n GLN 129 Ca 0.30 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.29 1ub1 n GLN 129 Cb 0.66 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.92 1ub1 n GLN 129 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1ub1 n GLY 130 N 1.04 0.72 3.77 1.08 0.00 -1.19 -5.09 105.19 105.52 1ub1 n GLY 130 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 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 4.12 -0.05 1.61 2.20 -1.26 -4.84 119.74 121.51 1ub1 s LYS 131 Ca 0.00 1.82 0.03 0.00 -0.36 0.00 0.00 55.97 57.46 1ub1 s LYS 131 Cb 0.00 -2.72 -0.03 0.00 -1.51 0.00 0.00 37.83 33.58 1ub1 s LYS 131 CO 0.00 -0.26 -0.11 0.00 -0.36 0.00 0.00 175.35 174.62 1ub1 s ALA 132 N -1.41 2.81 -0.21 3.13 0.00 -1.26 -1.82 121.76 123.01 1ub1 s ALA 132 Ca 0.56 -0.95 -0.08 0.00 0.00 0.00 0.00 51.96 51.49 1ub1 s ALA 132 Cb -0.30 -1.08 -0.04 0.00 0.00 0.00 0.00 23.12 21.70 1ub1 s ALA 132 CO 0.38 0.57 0.08 -0.06 0.00 0.00 0.00 175.76 176.73 1ub1 s PHE 133 N -0.78 3.19 -0.73 0.00 0.08 0.65 -4.78 117.98 115.61 1ub1 s PHE 133 Ca 0.12 -0.07 0.25 0.00 0.12 0.00 0.00 56.93 57.36 1ub1 s PHE 133 Cb -0.11 -2.16 0.52 0.00 -0.57 0.00 0.00 43.02 40.70 1ub1 s PHE 133 CO 0.01 -0.03 1.46 0.54 -0.10 0.00 0.00 175.22 177.11 1ub1 n ARG 134 N 4.11 0.22 -3.92 0.44 1.74 -1.26 0.69 116.66 118.68 1ub1 n ARG 134 Ca -0.16 0.09 -0.10 0.00 -0.77 0.00 0.00 57.85 56.91 1ub1 n ARG 134 Cb 0.52 -1.67 -0.11 0.00 -1.02 0.00 0.00 32.46 30.18 1ub1 n ARG 134 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1ub1 s SER 135 N -4.02 0.13 0.46 0.55 0.15 -1.26 -4.68 113.70 105.02 1ub1 s SER 135 Ca 0.08 -0.32 0.20 0.00 0.70 0.00 0.00 55.95 56.61 1ub1 s SER 135 Cb 0.14 0.15 1.10 0.00 -1.71 0.00 0.00 66.02 65.70 1ub1 s SER 135 CO 0.68 -0.30 1.96 0.50 1.20 0.00 0.00 173.24 177.27 1ub1 h LYS 136 N 4.63 0.00 -0.80 5.44 3.64 -1.93 -2.29 116.57 125.26 1ub1 h LYS 136 Ca -0.31 0.00 0.02 0.00 -1.27 0.00 0.00 60.65 59.10 1ub1 h LYS 136 Cb 1.20 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.98 1ub1 h LYS 136 CO 0.41 0.22 0.52 -0.24 -2.27 0.00 0.00 179.45 178.09 1ub1 h VAL 137 N 0.00 1.15 0.00 2.00 3.04 -2.00 0.74 116.25 121.18 1ub1 h VAL 137 Ca -0.00 -0.35 -0.01 0.00 -1.01 0.00 0.00 66.70 65.33 1ub1 h VAL 137 Cb 0.48 0.04 -0.00 0.00 -2.01 0.00 0.00 31.29 29.80 1ub1 h VAL 137 CO 0.03 0.19 -0.03 -0.08 -1.01 0.00 0.00 177.57 176.67 1ub1 h GLU 138 N 1.02 0.00 0.02 4.17 4.57 -1.83 -2.17 114.58 120.37 1ub1 h GLU 138 Ca 0.31 0.00 0.01 0.00 -1.18 0.00 0.00 59.36 58.50 1ub1 h GLU 138 Cb -0.03 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.54 1ub1 h GLU 138 CO -0.10 0.03 -0.08 1.25 -1.18 0.00 0.00 179.01 178.93 1ub1 h LEU 139 N 0.00 -0.22 -0.45 1.64 5.85 -0.87 -1.95 115.31 119.31 1ub1 h LEU 139 Ca -0.00 0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.74 1ub1 h LEU 139 Cb 0.10 0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.20 1ub1 h LEU 139 CO 0.00 -0.12 0.22 -0.29 -0.34 0.00 0.00 178.44 177.92 1ub1 h ILE 140 N -0.15 1.18 -0.83 4.05 6.09 -1.41 0.89 117.51 127.33 1ub1 h ILE 140 Ca 0.02 -0.50 0.18 0.00 -1.37 0.00 0.00 64.86 63.19 1ub1 h ILE 140 Cb 0.17 0.68 -0.15 0.00 0.47 0.00 0.00 36.82 37.99 1ub1 h ILE 140 CO -0.06 0.20 -0.11 0.00 -3.07 0.00 0.00 178.15 175.10 1ub1 h ALA 141 N 1.07 0.70 0.12 0.18 0.00 -1.20 5.48 119.26 125.61 1ub1 h ALA 141 Ca 0.16 0.30 -0.29 0.00 0.00 0.00 0.00 54.91 55.08 1ub1 h ALA 141 Cb 0.11 0.56 -0.00 0.00 0.00 0.00 0.00 17.79 18.46 1ub1 h ALA 141 CO -0.02 -0.43 -1.39 -0.92 0.00 0.00 0.00 179.25 176.49 1ub1 h TYR 142 N 0.03 0.47 0.00 0.00 3.20 -0.94 -3.28 116.97 116.45 1ub1 h TYR 142 Ca 0.43 -0.34 -0.05 0.00 3.14 0.00 0.00 58.73 61.91 1ub1 h TYR 142 Cb 0.72 -0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.97 1ub1 h TYR 142 CO -0.56 1.33 -0.24 0.35 -1.64 0.00 0.00 178.16 177.40 1ub1 h PHE 143 N 0.07 0.00 -0.08 -3.82 3.04 0.37 -0.86 116.94 115.66 1ub1 h PHE 143 Ca -0.19 0.00 0.02 0.00 3.98 0.00 0.00 57.97 61.78 1ub1 h PHE 143 Cb 2.00 0.00 -0.00 0.00 2.56 0.00 0.00 35.95 40.50 1ub1 h PHE 143 CO 0.06 0.24 0.43 1.49 -2.02 0.00 0.00 178.31 178.51 1ub1 h GLU 144 N 0.00 0.00 0.00 1.11 4.22 1.09 1.69 114.58 122.68 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 0.79 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.04 1ub1 h GLU 144 CO 0.03 0.00 0.00 1.17 -2.18 0.00 0.00 179.01 178.03 1ub1 n LYS 145 N -2.98 0.00 -0.00 1.92 4.81 -1.11 -4.74 118.16 116.06 1ub1 n LYS 145 Ca 0.00 0.00 0.11 0.00 -0.87 0.00 0.00 58.31 57.55 1ub1 n LYS 145 Cb 0.50 -0.26 0.66 0.00 0.02 0.00 0.00 35.03 35.95 1ub1 n LYS 145 CO 0.00 0.00 0.00 1.55 1.17 0.00 0.00 177.40 180.12 1ub1 n VAL 146 N -3.18 0.00 -1.77 3.15 3.14 -0.34 -4.84 118.33 114.49 1ub1 n VAL 146 Ca 0.00 -0.01 0.00 0.00 -2.96 0.00 0.00 64.34 61.37 1ub1 n VAL 146 Cb 0.00 -0.33 0.00 0.00 -1.06 0.00 0.00 33.84 32.45 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 0.86 -0.29 2.25 7.55 0.00 0.57 -2.79 105.19 113.35 1ub1 n GLY 147 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 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 -0.56 -4.38 -4.54 1.61 8.00 -1.26 -4.70 116.55 110.72 1ub1 n ASP 148 Ca 0.00 0.30 -0.41 0.00 0.71 0.00 0.00 54.79 55.38 1ub1 n ASP 148 Cb 0.29 -1.03 -0.03 0.00 -0.02 0.00 0.00 41.12 40.32 1ub1 n ASP 148 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1ub1 s THR 149 N -0.60 3.94 0.00 -3.53 2.01 -1.12 -3.58 115.64 112.76 1ub1 s THR 149 Ca 0.00 -0.41 0.00 0.00 0.31 0.00 0.00 61.69 61.59 1ub1 s THR 149 Cb 0.00 -4.97 0.00 0.00 0.01 0.00 0.00 72.50 67.54 1ub1 s THR 149 CO 0.00 -1.85 0.00 -1.20 -0.69 0.00 0.00 174.62 170.88 1ub1 n SER 150 N 8.80 0.00 -3.76 3.53 7.64 -1.26 -4.72 113.62 123.85 1ub1 n SER 150 Ca 0.20 0.00 -0.29 0.00 1.01 0.00 0.00 58.87 59.80 1ub1 n SER 150 Cb 0.50 0.00 -0.16 0.00 -1.01 0.00 0.00 64.21 63.54 1ub1 n SER 150 CO 0.00 0.00 0.00 -1.48 -3.01 0.00 0.00 175.04 170.55 1ub1 s LEU 151 N 0.00 1.60 0.57 -3.43 0.05 -1.23 -5.05 118.68 111.19 1ub1 s LEU 151 Ca 0.00 -1.05 0.08 0.00 0.05 0.00 0.00 54.13 53.21 1ub1 s LEU 151 Cb 0.00 -0.74 0.08 0.00 -2.05 0.00 0.00 46.19 43.48 1ub1 s LEU 151 CO 0.00 -0.32 0.79 -1.81 -0.55 0.00 0.00 176.35 174.46 1ub1 s ASP 152 N 1.74 5.09 0.00 1.48 1.11 -1.26 -4.77 116.67 120.05 1ub1 s ASP 152 Ca 0.01 -0.71 0.23 0.00 0.18 0.00 0.00 52.55 52.25 1ub1 s ASP 152 Cb -0.17 0.10 1.15 0.00 1.07 0.00 0.00 42.92 45.07 1ub1 s ASP 152 CO -0.12 -1.33 1.75 -0.81 1.18 0.00 0.00 175.17 175.84 1ub1 n PRO 153 N -2.27 0.33 -0.10 8.23 -0.04 -1.26 -0.68 135.00 139.21 1ub1 n PRO 153 Ca 0.14 0.07 0.11 0.00 -0.04 0.00 0.00 63.50 63.78 1ub1 n PRO 153 Cb 0.61 -1.50 0.15 0.00 -0.04 0.00 0.00 33.50 32.72 1ub1 n PRO 153 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1ub1 n ASN 154 N -1.28 3.07 -2.62 3.54 5.15 -1.26 -4.47 115.26 117.39 1ub1 n ASN 154 Ca 0.11 -1.92 -0.05 0.00 -0.60 0.00 0.00 54.58 52.12 1ub1 n ASN 154 Cb 0.18 -0.13 0.08 0.00 -0.53 0.00 0.00 39.78 39.39 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 1.28 -1.54 -4.98 1.20 2.03 -0.79 -5.15 116.55 108.60 1ub1 n ASP 155 Ca 0.15 -2.14 -0.21 0.00 0.52 0.00 0.00 54.79 53.11 1ub1 n ASP 155 Cb 0.55 0.90 0.02 0.00 -0.72 0.00 0.00 41.12 41.87 1ub1 n ASP 155 CO 0.00 0.00 0.00 0.72 -1.92 0.00 0.00 177.20 176.00 1ub1 s PHE 156 N 0.14 2.96 -0.16 -0.67 -0.71 0.14 -4.13 117.98 115.55 1ub1 s PHE 156 Ca 0.14 -0.04 -0.05 0.00 -1.04 0.00 0.00 56.93 55.94 1ub1 s PHE 156 Cb 0.31 -2.52 -0.03 0.00 -1.21 0.00 0.00 43.02 39.56 1ub1 s PHE 156 CO -0.07 -0.60 0.01 -0.51 -1.34 0.00 0.00 175.22 172.71 1ub1 s ASP 157 N -4.34 5.19 -0.27 1.98 1.11 -1.26 -5.06 116.67 114.03 1ub1 s ASP 157 Ca 0.54 -0.01 -0.01 0.00 0.18 0.00 0.00 52.55 53.25 1ub1 s ASP 157 Cb -0.10 -1.82 0.15 0.00 1.07 0.00 0.00 42.92 42.22 1ub1 s ASP 157 CO 0.37 0.20 0.42 0.72 1.18 0.00 0.00 175.17 178.05 1ub1 s PHE 158 N 0.20 -1.00 0.00 4.23 -0.71 -1.26 -4.81 117.98 114.63 1ub1 s PHE 158 Ca 0.01 0.76 0.00 0.00 -1.04 0.00 0.00 56.93 56.66 1ub1 s PHE 158 Cb -0.13 0.03 0.00 0.00 -1.21 0.00 0.00 43.02 41.71 1ub1 s PHE 158 CO 0.02 -0.84 0.00 0.25 -1.34 0.00 0.00 175.22 173.31 1ub1 n THR 159 N 5.37 0.00 0.06 -4.49 -2.24 -1.26 -1.70 114.28 110.02 1ub1 n THR 159 Ca -0.02 0.00 0.20 0.00 -2.27 0.00 0.00 64.05 61.96 1ub1 n THR 159 Cb 0.50 -0.12 0.56 0.00 -2.10 0.00 0.00 70.33 69.17 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 0.13 -0.10 2.28 3.04 -1.91 3.12 116.25 122.81 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 0.35 0.00 0.00 -2.01 0.00 0.00 31.29 29.63 1ub1 h VAL 160 CO 0.00 0.00 0.00 1.07 -1.01 0.00 0.00 177.57 177.63 1ub1 n THR 161 N -3.26 1.99 0.00 3.17 5.66 -1.26 -4.73 114.28 115.85 1ub1 n THR 161 Ca 0.10 -2.05 0.00 0.00 -3.05 0.00 0.00 64.05 59.05 1ub1 n THR 161 Cb 0.94 -0.20 0.00 0.00 -1.55 0.00 0.00 70.33 69.52 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 -1.02 3.41 0.18 1.09 0.00 1.01 -4.92 105.19 104.94 1ub1 n GLY 162 Ca 0.17 -0.45 0.07 0.00 0.00 0.00 0.00 46.02 45.81 1ub1 n GLY 162 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1ub1 h ARG 163 N 0.00 0.00 -5.58 1.61 2.47 -1.22 -3.41 114.38 108.25 1ub1 h ARG 163 Ca 0.00 0.00 -0.26 0.00 -1.26 0.00 0.00 59.98 58.46 1ub1 h ARG 163 Cb 0.00 0.00 -0.04 0.00 -1.65 0.00 0.00 29.97 28.28 1ub1 h ARG 163 CO 0.00 0.30 0.71 0.20 0.56 0.00 0.00 179.97 181.74 1ub1 s GLY 164 N -4.35 -0.00 -0.50 0.04 0.00 0.52 -4.88 107.32 98.16 1ub1 s GLY 164 Ca 0.04 -1.61 -0.03 0.00 0.00 0.00 0.00 44.72 43.12 1ub1 s GLY 164 CO 0.69 3.63 0.30 -0.56 0.00 0.00 0.00 173.10 177.17 1ub1 s SER 165 N 7.95 5.26 0.10 1.64 0.01 -1.26 -3.91 113.70 123.48 1ub1 s SER 165 Ca 0.73 -2.36 -0.11 0.00 1.31 0.00 0.00 55.95 55.51 1ub1 s SER 165 Cb -0.06 -1.84 -0.17 0.00 0.21 0.00 0.00 66.02 64.16 1ub1 s SER 165 CO 0.05 -0.48 1.26 1.55 0.41 0.00 0.00 173.24 176.03 1ub1 h PRO 166 N 7.65 0.67 -0.92 12.44 0.13 -1.93 -3.31 132.00 146.72 1ub1 h PRO 166 Ca -0.09 -0.65 0.10 0.00 -0.87 0.00 0.00 66.00 64.49 1ub1 h PRO 166 Cb 1.01 0.17 -0.12 0.00 0.13 0.00 0.00 31.00 32.19 1ub1 h PRO 166 CO 0.71 1.25 -0.49 -1.13 -0.23 0.00 0.00 178.00 178.11 1ub1 n SER 167 N -3.86 -0.86 -4.95 1.44 3.41 -1.26 -4.48 113.62 103.05 1ub1 n SER 167 Ca -0.09 1.62 -0.20 0.00 -0.26 0.00 0.00 58.87 59.95 1ub1 n SER 167 Cb 0.83 -0.26 0.05 0.00 -0.26 0.00 0.00 64.21 64.56 1ub1 n SER 167 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1ub1 s ARG 168 N -5.58 2.44 0.25 4.33 0.52 -1.25 -5.13 118.95 114.53 1ub1 s ARG 168 Ca -0.12 -1.22 0.05 0.00 -0.52 0.00 0.00 55.73 53.92 1ub1 s ARG 168 Cb 0.13 -2.60 -0.05 0.00 0.52 0.00 0.00 34.95 32.95 1ub1 s ARG 168 CO 0.60 -0.72 -0.03 -0.98 0.02 0.00 0.00 175.30 174.19 1ub1 s ARG 169 N -4.66 1.41 0.27 3.54 3.03 -1.26 -4.90 118.95 116.38 1ub1 s ARG 169 Ca 0.59 -1.71 0.00 0.00 2.03 0.00 0.00 55.73 56.64 1ub1 s ARG 169 Cb -0.08 -0.84 -0.04 0.00 -1.03 0.00 0.00 34.95 32.97 1ub1 s ARG 169 CO 0.38 -0.04 0.45 -2.00 -1.13 0.00 0.00 175.30 172.96 1ub1 s GLU 170 N -3.80 3.50 -0.31 3.89 2.12 -1.26 -5.08 118.70 117.76 1ub1 s GLU 170 Ca 0.28 -0.38 -0.10 0.00 0.36 0.00 0.00 54.97 55.13 1ub1 s GLU 170 Cb 0.05 -2.77 -0.01 0.00 0.26 0.00 0.00 34.13 31.66 1ub1 s GLU 170 CO 0.10 0.30 0.16 -1.14 -0.54 0.00 0.00 175.26 174.13 1ub1 s GLN 171 N -3.80 3.34 -0.10 4.30 -0.44 -1.26 -5.04 119.66 116.67 1ub1 s GLN 171 Ca 0.39 -0.72 -0.33 0.00 -2.50 0.00 0.00 55.36 52.20 1ub1 s GLN 171 Cb -0.10 -3.57 -0.11 0.00 -1.64 0.00 0.00 33.01 27.58 1ub1 s GLN 171 CO 0.32 -0.42 1.93 0.54 0.50 0.00 0.00 175.29 178.16 1ub1 n ARG 172 N 4.99 2.19 -1.53 1.67 5.12 -1.26 -4.95 116.66 122.88 1ub1 n ARG 172 Ca -0.14 0.79 -0.29 0.00 -1.93 0.00 0.00 57.85 56.28 1ub1 n ARG 172 Cb 0.49 -2.71 0.15 0.00 -1.16 0.00 0.00 32.46 29.24 1ub1 n ARG 172 CO 0.00 0.00 0.00 -1.25 -1.93 0.00 0.00 177.63 174.45 1ub1 s PRO 173 N 4.37 0.85 0.05 5.56 0.04 -1.26 -5.00 135.00 139.61 1ub1 s PRO 173 Ca 0.94 0.18 -0.16 0.00 0.04 0.00 0.00 61.00 62.00 1ub1 s PRO 173 Cb -0.66 -1.82 -0.21 0.00 0.04 0.00 0.00 34.50 31.86 1ub1 s PRO 173 CO 0.50 -2.37 1.19 -1.00 0.04 0.00 0.00 177.00 175.35 1ub1 h PRO 174 N -1.62 0.59 -4.05 0.56 0.13 -2.08 -3.49 132.00 122.04 1ub1 h PRO 174 Ca -0.49 -0.58 0.00 0.00 -0.87 0.00 0.00 66.00 64.06 1ub1 h PRO 174 Cb 1.32 0.15 -0.02 0.00 0.13 0.00 0.00 31.00 32.58 1ub1 h PRO 174 CO 0.57 1.20 -0.60 1.17 -0.23 0.00 0.00 178.00 180.10 1ub1 n LYS 175 N -4.05 -1.96 -3.87 0.86 4.81 -1.26 -5.03 118.16 107.67 1ub1 n LYS 175 Ca -0.10 1.77 -0.30 0.00 -0.87 0.00 0.00 58.31 58.81 1ub1 n LYS 175 Cb 0.74 -3.17 -0.15 0.00 0.02 0.00 0.00 35.03 32.47 1ub1 n LYS 175 CO 0.00 0.00 0.00 0.21 1.17 0.00 0.00 177.40 178.78 1ub1 s LYS 176 N -0.83 1.12 -0.30 1.64 2.47 -1.26 -5.03 119.74 117.56 1ub1 s LYS 176 Ca -0.05 -1.52 -0.12 0.00 -1.56 0.00 0.00 55.97 52.72 1ub1 s LYS 176 Cb 0.00 -2.59 0.18 0.00 -1.46 0.00 0.00 37.83 33.97 1ub1 s LYS 176 CO 0.40 -0.98 1.05 0.00 0.16 0.00 0.00 175.35 175.98 1ub1 s ALA 177 N 1.18 -3.73 -0.45 3.13 0.00 -1.26 -5.10 121.76 115.53 1ub1 s ALA 177 Ca 0.11 1.38 0.05 0.00 0.00 0.00 0.00 51.96 53.50 1ub1 s ALA 177 Cb -0.19 -2.66 0.18 0.00 0.00 0.00 0.00 23.12 20.45 1ub1 s ALA 177 CO -0.16 -1.75 0.50 1.63 0.00 0.00 0.00 175.76 175.98 1ub1 n LYS 178 N 5.31 0.33 -3.64 0.00 5.02 -1.26 -5.11 118.16 118.81 1ub1 n LYS 178 Ca 0.00 -2.71 -0.05 0.00 -2.02 0.00 0.00 58.31 53.54 1ub1 n LYS 178 Cb 0.56 -1.59 -0.07 0.00 -0.02 0.00 0.00 35.03 33.91 1ub1 n LYS 178 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1ub1 s SER 179 N 0.37 -0.33 0.49 4.39 1.04 -1.26 -5.02 113.70 113.38 1ub1 s SER 179 Ca 0.32 0.60 0.28 0.00 0.48 0.00 0.00 55.95 57.62 1ub1 s SER 179 Cb 0.03 0.77 0.84 0.00 0.10 0.00 0.00 66.02 67.76 1ub1 s SER 179 CO -0.14 -0.10 1.79 1.55 0.98 0.00 0.00 173.24 177.32 1ub1 h PRO 180 N 4.44 0.00 -6.64 4.02 0.13 -2.06 -3.45 132.00 128.44 1ub1 h PRO 180 Ca -0.28 0.00 -0.49 0.00 -0.87 0.00 0.00 66.00 64.36 1ub1 h PRO 180 Cb 1.18 0.00 0.23 0.00 0.13 0.00 0.00 31.00 32.54 1ub1 h PRO 180 CO 0.16 0.03 -1.05 1.17 -0.23 0.00 0.00 178.00 178.08 1ub1 n LYS 181 N -3.12 -0.97 0.00 0.86 4.81 -1.26 -4.80 118.16 113.68 1ub1 n LYS 181 Ca 0.02 -0.26 0.00 0.00 -0.87 0.00 0.00 58.31 57.20 1ub1 n LYS 181 Cb 0.43 -1.67 0.00 0.00 0.02 0.00 0.00 35.03 33.80 1ub1 n LYS 181 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 1ub1 n SER 182 N -0.97 0.00 -4.80 3.14 2.88 -1.26 -5.14 113.62 107.47 1ub1 n SER 182 Ca 0.02 0.00 -0.33 0.00 -1.33 0.00 0.00 58.87 57.23 1ub1 n SER 182 Cb 0.60 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 64.04 1ub1 n SER 182 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 1ub1 s PRO 183 N 0.00 3.59 0.00 -1.46 0.04 -1.26 -4.98 135.00 130.93 1ub1 s PRO 183 Ca 0.00 1.27 0.00 0.00 0.04 0.00 0.00 61.00 62.31 1ub1 s PRO 183 Cb 0.00 -2.07 0.00 0.00 0.04 0.00 0.00 34.50 32.47 1ub1 s PRO 183 CO 0.00 -0.59 0.00 0.41 0.04 0.00 0.00 177.00 176.86 1ub1 n GLY 184 N -0.66 2.71 3.60 0.56 0.00 -1.26 -5.17 105.19 104.97 1ub1 n GLY 184 Ca 0.09 -1.83 -0.03 0.00 0.00 0.00 0.00 46.02 44.25 1ub1 n GLY 184 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ub1 s SER 185 N 0.00 -0.11 0.03 1.61 0.15 -1.26 -5.19 113.70 108.93 1ub1 s SER 185 Ca 0.00 -0.04 -0.29 0.00 0.70 0.00 0.00 55.95 56.33 1ub1 s SER 185 Cb 0.00 0.14 0.10 0.00 -1.71 0.00 0.00 66.02 64.55 1ub1 s SER 185 CO 0.00 -0.24 1.19 -0.83 1.20 0.00 0.00 173.24 174.57 1ub1 s GLY 186 N -2.38 -0.36 0.17 9.45 0.00 -1.26 -5.19 107.32 107.75 1ub1 s GLY 186 Ca 0.11 0.51 -0.06 0.00 0.00 0.00 0.00 44.72 45.28 1ub1 s GLY 186 CO -0.04 0.17 0.22 -1.60 0.00 0.00 0.00 173.10 171.84 1ub1 s ARG 187 N -2.66 1.14 0.00 2.90 3.52 -1.26 -5.15 118.95 117.43 1ub1 s ARG 187 Ca 0.14 -1.32 0.00 0.00 -0.13 0.00 0.00 55.73 54.42 1ub1 s ARG 187 Cb 0.03 0.33 0.00 0.00 -1.56 0.00 0.00 34.95 33.75 1ub1 s ARG 187 CO -0.02 -0.40 0.00 0.41 -0.81 0.00 0.00 175.30 174.48 1ub1 n GLY 188 N -0.21 1.89 1.02 8.12 0.00 -1.26 -5.11 105.19 109.64 1ub1 n GLY 188 Ca -0.05 0.39 -0.00 0.00 0.00 0.00 0.00 46.02 46.36 1ub1 n GLY 188 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ub1 n ARG 189 N 0.00 0.00 -3.06 1.61 1.74 -1.26 -5.09 116.66 110.60 1ub1 n ARG 189 Ca 0.00 0.00 -0.15 0.00 -0.77 0.00 0.00 57.85 56.93 1ub1 n ARG 189 Cb 0.00 -0.23 0.02 0.00 -1.02 0.00 0.00 32.46 31.23 1ub1 n ARG 189 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ub1 n GLY 190 N 3.49 -1.21 2.89 -0.13 0.00 -1.26 -5.00 105.19 103.97 1ub1 n GLY 190 Ca -0.00 0.99 -0.29 0.00 0.00 0.00 0.00 46.02 46.71 1ub1 n GLY 190 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1ub1 s ARG 191 N -2.25 1.41 0.56 1.61 3.00 -1.26 -5.13 118.95 116.88 1ub1 s ARG 191 Ca 0.23 -0.79 -0.09 0.00 -1.00 0.00 0.00 55.73 54.08 1ub1 s ARG 191 Cb -0.04 -2.39 0.13 0.00 0.00 0.00 0.00 34.95 32.65 1ub1 s ARG 191 CO 0.73 -0.57 0.61 -0.35 0.00 0.00 0.00 175.30 175.72 1ub1 n PRO 192 N 4.78 -1.36 -2.36 5.12 -0.04 -1.26 -5.01 135.00 134.88 1ub1 n PRO 192 Ca -0.11 -0.96 -0.37 0.00 -0.04 0.00 0.00 63.50 62.02 1ub1 n PRO 192 Cb 0.45 -0.76 -0.02 0.00 -0.04 0.00 0.00 33.50 33.14 1ub1 n PRO 192 CO 0.00 0.00 0.00 -1.59 -0.04 0.00 0.00 175.50 173.87 1ub1 s LYS 193 N -4.36 3.86 0.00 0.54 -2.85 -1.26 -4.99 119.74 110.67 1ub1 s LYS 193 Ca 0.37 1.66 0.00 0.00 -1.00 0.00 0.00 55.97 57.00 1ub1 s LYS 193 Cb -0.02 -2.40 0.00 0.00 -2.06 0.00 0.00 37.83 33.35 1ub1 s LYS 193 CO 0.27 -0.44 0.36 0.41 0.10 0.00 0.00 175.35 176.05 1ub1 n GLY 194 N 0.34 -2.75 0.00 0.59 0.00 -1.26 -5.03 105.19 97.09 1ub1 n GLY 194 Ca 0.07 0.25 0.00 0.00 0.00 0.00 0.00 46.02 46.34 1ub1 n GLY 194 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1ub1 n SER 195 N -0.52 -0.53 0.00 1.61 2.88 -1.26 -5.30 113.62 110.50 1ub1 n SER 195 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1ub1 n SER 195 Cb 0.00 0.63 0.00 0.00 -0.75 0.00 0.00 64.21 64.09 1ub1 n SER 195 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42