#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ug2 n PRO 2 N 0.00 -2.13 -3.58 1.61 -0.04 -1.26 -5.10 135.00 124.50 1ug2 n PRO 2 Ca 0.00 -1.82 -0.06 0.00 -0.04 0.00 0.00 63.50 61.58 1ug2 n PRO 2 Cb 0.00 -1.43 -0.03 0.00 -0.04 0.00 0.00 33.50 32.00 1ug2 n PRO 2 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1ug2 s SER 3 N -5.00 -0.23 0.00 3.54 0.15 -1.26 -5.19 113.70 105.72 1ug2 s SER 3 Ca 0.70 0.10 0.00 0.00 0.70 0.00 0.00 55.95 57.45 1ug2 s SER 3 Cb -0.04 0.22 0.00 0.00 -1.71 0.00 0.00 66.02 64.49 1ug2 s SER 3 CO 0.51 -0.32 0.00 0.61 1.20 0.00 0.00 173.24 175.24 1ug2 n GLY 4 N 0.14 -0.59 3.59 9.45 0.00 -1.26 -5.19 105.19 111.32 1ug2 n GLY 4 Ca -0.04 -1.07 0.02 0.00 0.00 0.00 0.00 46.02 44.92 1ug2 n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ug2 s SER 5 N 0.00 -0.02 0.07 1.61 1.04 -1.26 -5.19 113.70 109.95 1ug2 s SER 5 Ca 0.00 -0.03 -0.27 0.00 0.48 0.00 0.00 55.95 56.13 1ug2 s SER 5 Cb 0.00 0.05 0.09 0.00 0.10 0.00 0.00 66.02 66.25 1ug2 s SER 5 CO 0.00 -0.09 1.05 -0.44 0.98 0.00 0.00 173.24 174.74 1ug2 s SER 6 N -2.76 -0.17 0.11 7.02 0.01 -1.26 -5.19 113.70 111.46 1ug2 s SER 6 Ca 0.14 -0.26 0.02 0.00 1.31 0.00 0.00 55.95 57.16 1ug2 s SER 6 Cb 0.05 0.38 -0.01 0.00 0.21 0.00 0.00 66.02 66.65 1ug2 s SER 6 CO -0.05 -0.68 0.09 0.61 0.41 0.00 0.00 173.24 173.62 1ug2 n GLY 7 N -0.43 3.67 3.67 3.44 0.00 -1.26 -5.19 105.19 109.10 1ug2 n GLY 7 Ca -0.07 -1.76 -0.08 0.00 0.00 0.00 0.00 46.02 44.11 1ug2 n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ug2 s ALA 8 N -2.44 -0.74 0.00 4.61 0.00 -1.26 -5.18 121.76 116.75 1ug2 s ALA 8 Ca 0.13 -0.53 0.00 0.00 0.00 0.00 0.00 51.96 51.55 1ug2 s ALA 8 Cb 0.01 0.94 0.00 0.00 0.00 0.00 0.00 23.12 24.07 1ug2 s ALA 8 CO 0.09 -0.91 0.00 0.41 0.00 0.00 0.00 175.76 175.35 1ug2 n GLY 9 N -0.40 5.49 3.14 0.00 0.00 -1.26 -5.15 105.19 107.01 1ug2 n GLY 9 Ca -0.04 -1.84 0.03 0.00 0.00 0.00 0.00 46.02 44.17 1ug2 n GLY 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ug2 s ALA 10 N -2.00 -2.33 -0.04 4.61 0.00 -1.26 -5.15 121.76 115.58 1ug2 s ALA 10 Ca 0.00 1.02 -0.29 0.00 0.00 0.00 0.00 51.96 52.69 1ug2 s ALA 10 Cb 0.00 -2.51 0.10 0.00 0.00 0.00 0.00 23.12 20.70 1ug2 s ALA 10 CO 0.00 -1.82 0.82 -0.48 0.00 0.00 0.00 175.76 174.28 1ug2 s LEU 11 N 2.81 -0.49 0.00 0.00 2.34 -1.26 -4.67 118.68 117.42 1ug2 s LEU 11 Ca 0.10 0.34 -0.04 0.00 0.06 0.00 0.00 54.13 54.59 1ug2 s LEU 11 Cb -0.10 2.22 0.06 0.00 -0.56 0.00 0.00 46.19 47.80 1ug2 s LEU 11 CO -0.26 -0.58 0.27 -0.81 -1.06 0.00 0.00 176.35 173.91 1ug2 n PRO 12 N 0.39 -0.88 -3.15 1.48 -0.04 -1.26 -5.18 135.00 126.36 1ug2 n PRO 12 Ca -0.14 -0.43 0.05 0.00 -0.04 0.00 0.00 63.50 62.95 1ug2 n PRO 12 Cb 0.60 -0.34 -0.00 0.00 -0.04 0.00 0.00 33.50 33.72 1ug2 n PRO 12 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 1ug2 s LYS 13 N -3.61 0.26 0.36 0.54 1.02 -1.26 -5.17 119.74 111.87 1ug2 s LYS 13 Ca 0.16 0.26 0.06 0.00 0.02 0.00 0.00 55.97 56.48 1ug2 s LYS 13 Cb -0.01 0.12 -0.03 0.00 -0.52 0.00 0.00 37.83 37.40 1ug2 s LYS 13 CO 0.12 -0.47 0.24 0.00 -0.92 0.00 0.00 175.35 174.33 1ug2 s ALA 14 N 2.92 2.20 0.24 5.17 0.00 -1.26 -5.18 121.76 125.86 1ug2 s ALA 14 Ca 0.22 -1.81 -0.13 0.00 0.00 0.00 0.00 51.96 50.23 1ug2 s ALA 14 Cb -0.04 1.28 -0.00 0.00 0.00 0.00 0.00 23.12 24.35 1ug2 s ALA 14 CO -0.23 -0.57 0.49 -1.12 0.00 0.00 0.00 175.76 174.32 1ug2 s SER 15 N -3.45 -0.10 0.32 0.00 0.01 -1.26 -5.18 113.70 104.03 1ug2 s SER 15 Ca 0.35 -0.89 0.10 0.00 1.31 0.00 0.00 55.95 56.82 1ug2 s SER 15 Cb 0.02 0.59 -0.05 0.00 0.21 0.00 0.00 66.02 66.79 1ug2 s SER 15 CO 0.24 -1.14 -0.02 -1.61 0.41 0.00 0.00 173.24 171.12 1ug2 s GLU 16 N -4.00 2.07 0.34 12.44 0.41 -1.26 -5.15 118.70 123.55 1ug2 s GLU 16 Ca 0.21 -1.68 0.04 0.00 -0.41 0.00 0.00 54.97 53.13 1ug2 s GLU 16 Cb -0.01 -1.96 -0.03 0.00 -1.78 0.00 0.00 34.13 30.35 1ug2 s GLU 16 CO 0.08 0.21 0.15 0.00 -0.49 0.00 0.00 175.26 175.21 1ug2 s ALA 17 N -2.48 2.31 0.12 5.21 0.00 -1.26 -5.18 121.76 120.49 1ug2 s ALA 17 Ca 0.33 -1.63 -0.10 0.00 0.00 0.00 0.00 51.96 50.56 1ug2 s ALA 17 Cb -0.02 1.00 -0.00 0.00 0.00 0.00 0.00 23.12 24.10 1ug2 s ALA 17 CO 0.19 -0.44 0.25 -0.08 0.00 0.00 0.00 175.76 175.68 1ug2 s THR 18 N -3.44 0.10 0.23 0.00 -1.32 -1.26 -5.18 115.64 104.78 1ug2 s THR 18 Ca 0.32 -1.20 0.02 0.00 -1.21 0.00 0.00 61.69 59.62 1ug2 s THR 18 Cb 0.04 -1.53 -0.05 0.00 -1.51 0.00 0.00 72.50 69.45 1ug2 s THR 18 CO 0.17 -0.47 0.05 0.68 -2.21 0.00 0.00 174.62 172.84 1ug2 s VAL 19 N -3.90 0.72 0.28 5.08 -7.23 -1.26 -5.17 120.40 108.93 1ug2 s VAL 19 Ca 0.10 -2.00 0.10 0.00 -1.81 0.00 0.00 61.98 58.37 1ug2 s VAL 19 Cb 0.04 -2.45 -0.05 0.00 0.56 0.00 0.00 36.38 34.48 1ug2 s VAL 19 CO -0.06 -0.19 -0.08 0.00 -0.31 0.00 0.00 175.10 174.45 1ug2 s ALA 21 N -2.43 4.22 0.08 0.00 0.00 -1.26 -5.14 121.76 117.23 1ug2 s ALA 21 Ca 0.31 -1.66 0.10 0.00 0.00 0.00 0.00 51.96 50.71 1ug2 s ALA 21 Cb -0.05 -0.85 -0.03 0.00 0.00 0.00 0.00 23.12 22.18 1ug2 s ALA 21 CO 0.18 -0.36 -0.26 -0.80 0.00 0.00 0.00 175.76 174.52 1ug2 s ASN 22 N -4.21 3.30 0.10 0.00 0.01 -1.26 -5.13 114.94 107.76 1ug2 s ASN 22 Ca 0.42 -0.64 -0.15 0.00 -0.71 0.00 0.00 52.86 51.78 1ug2 s ASN 22 Cb -0.02 -0.30 -0.07 0.00 0.41 0.00 0.00 41.25 41.28 1ug2 s ASN 22 CO 0.25 0.22 0.52 0.20 -1.51 0.00 0.00 177.10 176.79 1ug2 s ASN 23 N -1.62 6.88 0.00 -1.22 0.01 -1.26 -5.06 114.94 112.68 1ug2 s ASN 23 Ca 0.13 1.09 0.00 0.00 -0.71 0.00 0.00 52.86 53.37 1ug2 s ASN 23 Cb -0.10 -2.29 0.00 0.00 0.41 0.00 0.00 41.25 39.26 1ug2 s ASN 23 CO 0.04 0.19 0.00 -0.24 -1.51 0.00 0.00 177.10 175.59 1ug2 n SER 24 N 1.23 0.00 -3.51 -1.22 2.88 -1.26 -5.17 113.62 106.57 1ug2 n SER 24 Ca -0.08 0.00 -0.00 0.00 -1.33 0.00 0.00 58.87 57.46 1ug2 n SER 24 Cb 0.52 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.92 1ug2 n SER 24 CO 0.00 0.00 0.00 -0.75 -1.23 0.00 0.00 175.04 173.06 1ug2 s LYS 25 N -1.03 0.33 -0.25 -1.46 2.20 -1.26 -5.17 119.74 113.09 1ug2 s LYS 25 Ca 0.00 0.69 -0.27 0.00 -0.36 0.00 0.00 55.97 56.03 1ug2 s LYS 25 Cb 0.00 0.28 0.15 0.00 -1.51 0.00 0.00 37.83 36.75 1ug2 s LYS 25 CO 0.00 -0.09 1.17 0.54 -0.36 0.00 0.00 175.35 176.61 1ug2 s VAL 26 N 1.95 0.00 -0.16 4.02 0.11 -1.26 -5.18 120.40 119.89 1ug2 s VAL 26 Ca -0.05 0.00 -0.19 0.00 -2.93 0.00 0.00 61.98 58.80 1ug2 s VAL 26 Cb -0.05 -1.00 0.05 0.00 -1.53 0.00 0.00 36.38 33.85 1ug2 s VAL 26 CO -0.16 0.00 0.52 -0.55 -3.33 0.00 0.00 175.10 171.58 1ug2 s SER 27 N -0.36 -0.52 0.25 3.54 0.15 -1.26 -5.17 113.70 110.33 1ug2 s SER 27 Ca 0.04 0.90 -0.16 0.00 0.70 0.00 0.00 55.95 57.43 1ug2 s SER 27 Cb -0.03 0.92 0.01 0.00 -1.71 0.00 0.00 66.02 65.20 1ug2 s SER 27 CO -0.07 -0.27 0.55 -0.44 1.20 0.00 0.00 173.24 174.21 1ug2 s SER 28 N -0.10 -0.16 0.53 5.45 0.01 -1.26 -5.15 113.70 113.02 1ug2 s SER 28 Ca -0.03 -0.77 -0.21 0.00 1.31 0.00 0.00 55.95 56.25 1ug2 s SER 28 Cb -0.03 0.62 -0.05 0.00 0.21 0.00 0.00 66.02 66.76 1ug2 s SER 28 CO 0.02 -1.18 1.22 0.42 0.41 0.00 0.00 173.24 174.13 1ug2 s THR 29 N -3.97 2.72 0.33 1.44 -4.23 -1.26 -5.03 115.64 105.64 1ug2 s THR 29 Ca 0.17 0.50 0.05 0.00 -1.18 0.00 0.00 61.69 61.24 1ug2 s THR 29 Cb -0.02 -3.23 -0.01 0.00 1.34 0.00 0.00 72.50 70.57 1ug2 s THR 29 CO 0.07 -0.05 0.48 -0.83 -0.54 0.00 0.00 174.62 173.75 1ug2 s GLY 30 N -1.38 1.50 0.21 3.99 0.00 -1.26 -5.09 107.32 105.29 1ug2 s GLY 30 Ca 0.71 -1.34 0.01 0.00 0.00 0.00 0.00 44.72 44.10 1ug2 s GLY 30 CO 0.36 -1.27 0.05 -0.54 0.00 0.00 0.00 173.10 171.70 1ug2 s GLU 31 N -4.19 1.24 0.05 2.90 2.02 -1.26 -5.05 118.70 114.41 1ug2 s GLU 31 Ca 0.43 -1.63 0.00 0.00 0.02 0.00 0.00 54.97 53.79 1ug2 s GLU 31 Cb -0.09 -0.24 0.00 0.00 0.10 0.00 0.00 34.13 33.90 1ug2 s GLU 31 CO 0.32 -0.21 0.00 1.17 0.02 0.00 0.00 175.26 176.56 1ug2 n LYS 32 N -0.33 -4.45 -3.64 1.61 3.00 -1.26 -5.00 118.16 108.08 1ug2 n LYS 32 Ca -0.03 3.29 -0.04 0.00 -0.00 0.00 0.00 58.31 61.53 1ug2 n LYS 32 Cb 0.65 -3.95 -0.07 0.00 0.00 0.00 0.00 35.03 31.66 1ug2 n LYS 32 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 1ug2 s VAL 33 N -0.49 0.00 0.10 3.15 0.11 -1.26 -5.06 120.40 116.95 1ug2 s VAL 33 Ca 0.00 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.05 1ug2 s VAL 33 Cb 0.00 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.85 1ug2 s VAL 33 CO 0.00 0.00 0.00 1.33 -3.33 0.00 0.00 175.10 173.10 1ug2 n VAL 34 N 3.05 0.00 -0.07 2.04 0.24 -1.26 -4.66 118.33 117.67 1ug2 n VAL 34 Ca -0.16 0.00 -0.11 0.00 -2.04 0.00 0.00 64.34 62.03 1ug2 n VAL 34 Cb 0.57 -0.10 -0.10 0.00 -1.47 0.00 0.00 33.84 32.75 1ug2 n VAL 34 CO 0.00 0.00 0.00 0.25 -2.14 0.00 0.00 176.83 174.94 1ug2 h LEU 35 N 0.00 0.00-10.33 1.34 6.46 -1.97 -3.46 115.31 107.35 1ug2 h LEU 35 Ca 0.00 -0.73 -0.51 0.00 -0.12 0.00 0.00 57.88 56.52 1ug2 h LEU 35 Cb 0.00 0.00 0.08 0.00 -0.73 0.00 0.00 40.66 40.01 1ug2 h LEU 35 CO 0.00 0.90 0.39 0.26 -0.62 0.00 0.00 178.44 179.37 1ug2 s TRP 36 N -2.07 3.30 0.01 1.25 0.52 -1.26 -5.06 118.94 115.63 1ug2 s TRP 36 Ca -0.15 1.38 0.02 0.00 0.02 0.00 0.00 56.10 57.37 1ug2 s TRP 36 Cb -0.02 -2.83 -0.04 0.00 -1.15 0.00 0.00 33.47 29.44 1ug2 s TRP 36 CO 0.52 -1.00 0.01 -0.08 0.02 0.00 0.00 176.95 176.42 1ug2 s THR 37 N -3.04 4.18 0.12 2.01 -1.32 -1.26 -4.93 115.64 111.39 1ug2 s THR 37 Ca 0.57 -0.62 -0.30 0.00 -1.21 0.00 0.00 61.69 60.13 1ug2 s THR 37 Cb -0.13 -2.88 -0.10 0.00 -1.51 0.00 0.00 72.50 67.88 1ug2 s THR 37 CO 0.53 0.35 1.50 -0.09 -2.21 0.00 0.00 174.62 174.70 1ug2 h ARG 38 N 4.24 -0.35 -0.92 7.08 9.65 -1.98 -0.03 114.38 132.07 1ug2 h ARG 38 Ca -0.49 0.02 0.15 0.00 -1.10 0.00 0.00 59.98 58.57 1ug2 h ARG 38 Cb 1.18 0.08 -0.16 0.00 -1.39 0.00 0.00 29.97 29.68 1ug2 h ARG 38 CO 0.58 -0.24 -0.32 0.39 2.80 0.00 0.00 179.97 183.18 1ug2 n GLU 39 N -5.15 -0.18 -0.17 0.20 1.02 -1.26 0.19 120.64 115.30 1ug2 n GLU 39 Ca -0.03 1.42 -0.03 0.00 -0.02 0.00 0.00 57.16 58.50 1ug2 n GLU 39 Cb 0.31 -2.11 0.07 0.00 -0.02 0.00 0.00 31.44 29.69 1ug2 n GLU 39 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1ug2 h ALA 40 N 1.44 0.65 -0.61 0.62 0.00 -1.48 1.47 119.26 121.36 1ug2 h ALA 40 Ca 0.36 0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.29 1ug2 h ALA 40 Cb 0.59 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.36 1ug2 h ALA 40 CO -0.92 -0.18 0.25 -0.44 0.00 0.00 0.00 179.25 177.96 1ug2 h ASP 41 N 0.40 0.84 0.63 0.00 3.32 0.36 -1.69 116.42 120.28 1ug2 h ASP 41 Ca 0.25 -0.16 -0.03 0.00 0.02 0.00 0.00 57.03 57.10 1ug2 h ASP 41 Cb 0.25 -0.22 0.01 0.00 0.22 0.00 0.00 39.33 39.59 1ug2 h ASP 41 CO -0.23 0.77 -0.30 0.03 -1.72 0.00 0.00 179.24 177.78 1ug2 h ARG 42 N 0.85 -0.82 -0.98 3.56 2.47 0.28 -2.93 114.38 116.82 1ug2 h ARG 42 Ca 0.20 0.06 0.30 0.00 -1.26 0.00 0.00 59.98 59.28 1ug2 h ARG 42 Cb 0.19 0.19 -0.18 0.00 -1.65 0.00 0.00 29.97 28.52 1ug2 h ARG 42 CO -0.02 -0.54 0.17 0.28 0.56 0.00 0.00 179.97 180.42 1ug2 h VAL 43 N -1.13 0.05 0.02 2.04 2.07 0.20 0.65 116.25 120.16 1ug2 h VAL 43 Ca -0.09 -0.01 0.02 0.00 0.82 0.00 0.00 66.70 67.44 1ug2 h VAL 43 Cb 0.65 0.02 -0.05 0.00 -1.52 0.00 0.00 31.29 30.38 1ug2 h VAL 43 CO 0.14 0.01 -0.51 0.40 0.02 0.00 0.00 177.57 177.63 1ug2 h ILE 44 N 0.03 0.03 -0.15 4.57 2.04 -1.22 1.45 117.51 124.27 1ug2 h ILE 44 Ca 0.65 0.00 0.01 0.00 1.00 0.00 0.00 64.86 66.52 1ug2 h ILE 44 Cb 1.44 0.03 -0.01 0.00 -0.74 0.00 0.00 36.82 37.54 1ug2 h ILE 44 CO -0.85 0.00 0.07 -0.07 0.00 0.00 0.00 178.15 177.30 1ug2 h LEU 45 N -0.67 0.10 0.19 1.44 3.38 0.20 1.44 115.31 121.39 1ug2 h LEU 45 Ca 0.02 0.01 0.01 0.00 0.09 0.00 0.00 57.88 58.00 1ug2 h LEU 45 Cb 0.72 -0.01 -0.04 0.00 0.09 0.00 0.00 40.66 41.42 1ug2 h LEU 45 CO -0.34 0.08 -0.48 0.74 0.09 0.00 0.00 178.44 178.53 1ug2 h THR 46 N 0.15 0.00 -0.31 0.22 2.02 0.78 1.41 112.91 117.17 1ug2 h THR 46 Ca 0.06 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.23 1ug2 h THR 46 Cb 0.01 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 66.41 1ug2 h THR 46 CO -0.04 0.00 0.15 0.24 0.37 0.00 0.00 175.52 176.23 1ug2 h MET 47 N -0.74 0.45 0.00 6.66 2.86 0.21 0.81 114.93 125.19 1ug2 h MET 47 Ca -0.02 -0.07 0.00 0.00 -2.06 0.00 0.00 59.70 57.55 1ug2 h MET 47 Cb 0.71 -0.08 0.00 0.00 0.06 0.00 0.00 31.60 32.29 1ug2 h MET 47 CO -0.22 0.43 0.00 0.00 1.06 0.00 0.00 176.91 178.19 1ug2 h GLN 49 N 0.00 0.00 0.92 0.00 5.75 0.34 0.91 115.11 123.03 1ug2 h GLN 49 Ca 0.00 0.00 -0.04 0.00 -0.15 0.00 0.00 58.65 58.46 1ug2 h GLN 49 Cb 0.09 0.00 0.01 0.00 1.07 0.00 0.00 27.48 28.65 1ug2 h GLN 49 CO 0.00 0.00 -0.46 1.49 -2.65 0.00 0.00 178.83 177.21 1ug2 h GLU 50 N -0.56 -1.21 -0.00 1.69 4.57 0.68 -3.01 114.58 116.73 1ug2 h GLU 50 Ca 0.00 0.08 -0.14 0.00 -1.18 0.00 0.00 59.36 58.12 1ug2 h GLU 50 Cb 0.27 0.27 -0.02 0.00 -0.16 0.00 0.00 28.75 29.12 1ug2 h GLU 50 CO 0.00 -0.81 -0.66 1.96 -1.18 0.00 0.00 179.01 178.32 1ug2 h GLN 51 N -1.26 0.02 0.00 1.92 1.08 0.04 -3.50 115.11 113.42 1ug2 h GLN 51 Ca -0.13 -0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.06 1ug2 h GLN 51 Cb 0.97 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.40 1ug2 h GLN 51 CO 0.20 0.67 0.00 0.41 -0.95 0.00 0.00 178.83 179.16 1ug2 n GLY 52 N 0.37 2.54 3.32 3.46 0.00 0.05 -4.82 105.19 110.10 1ug2 n GLY 52 Ca -0.01 -1.78 -0.39 0.00 0.00 0.00 0.00 46.02 43.83 1ug2 n GLY 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ug2 n ALA 53 N 1.13 3.56 -2.44 4.61 0.00 0.31 -4.17 120.51 123.50 1ug2 n ALA 53 Ca 0.00 -3.58 -0.25 0.00 0.00 0.00 0.00 53.44 49.61 1ug2 n ALA 53 Cb 0.00 -3.57 -0.11 0.00 0.00 0.00 0.00 19.45 15.77 1ug2 n ALA 53 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.50 178.64 1ug2 s GLN 54 N 4.64 1.56 0.06 0.00 -2.07 -1.26 -5.02 119.66 117.56 1ug2 s GLN 54 Ca 0.56 -1.63 0.23 0.00 -1.82 0.00 0.00 55.36 52.70 1ug2 s GLN 54 Cb 0.07 -1.72 0.92 0.00 -1.09 0.00 0.00 33.01 31.19 1ug2 s GLN 54 CO 0.06 0.34 1.71 -0.35 -1.32 0.00 0.00 175.29 175.73 1ug2 n PRO 55 N -0.16 0.06 0.10 9.60 -0.04 -1.26 -2.38 135.00 140.91 1ug2 n PRO 55 Ca -0.09 0.17 0.03 0.00 -0.04 0.00 0.00 63.50 63.58 1ug2 n PRO 55 Cb 0.58 -1.58 -0.01 0.00 -0.04 0.00 0.00 33.50 32.44 1ug2 n PRO 55 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1ug2 h HIS 56 N 0.00 0.00 0.12 0.54 3.86 -1.95 -3.32 115.15 114.39 1ug2 h HIS 56 Ca 0.00 0.00 -0.29 0.00 -1.16 0.00 0.00 60.37 58.92 1ug2 h HIS 56 Cb 0.42 0.00 0.02 0.00 1.06 0.00 0.00 27.41 28.91 1ug2 h HIS 56 CO 0.00 0.43 -1.22 1.15 0.86 0.00 0.00 177.93 179.15 1ug2 h THR 57 N 0.00 1.34 -0.66 2.45 2.02 -1.78 -3.20 112.91 113.08 1ug2 h THR 57 Ca -0.07 -2.58 0.19 0.00 0.77 0.00 0.00 66.41 64.73 1ug2 h THR 57 Cb 1.39 2.72 -0.03 0.00 -1.74 0.00 0.00 68.15 70.49 1ug2 h THR 57 CO 0.04 0.78 0.58 -0.26 0.37 0.00 0.00 175.52 177.03 1ug2 h PHE 58 N 0.23 0.00 0.00 3.16 0.04 -1.64 1.47 116.94 120.20 1ug2 h PHE 58 Ca -0.17 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.60 1ug2 h PHE 58 Cb 1.90 0.00 0.00 0.00 2.20 0.00 0.00 35.95 40.05 1ug2 h PHE 58 CO 0.10 0.00 0.00 1.03 -0.60 0.00 0.00 178.31 178.84 1ug2 h SER 59 N 0.00 0.00 0.00 2.17 0.87 -1.70 -0.88 113.55 114.00 1ug2 h SER 59 Ca 0.31 0.00 -0.10 0.00 -1.23 0.00 0.00 61.79 60.78 1ug2 h SER 59 Cb 1.47 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.42 1ug2 h SER 59 CO -0.00 0.00 -0.94 0.52 -0.53 0.00 0.00 176.83 175.88 1ug2 n VAL 60 N -2.67 1.47 -0.23 2.23 0.31 0.50 -3.97 118.33 115.96 1ug2 n VAL 60 Ca 0.01 0.09 0.03 0.00 -0.01 0.00 0.00 64.34 64.47 1ug2 n VAL 60 Cb 0.27 -2.25 0.15 0.00 -0.91 0.00 0.00 33.84 31.10 1ug2 n VAL 60 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 1ug2 h ILE 61 N -1.00 0.63 -0.53 2.52 2.04 -1.37 0.13 117.51 119.92 1ug2 h ILE 61 Ca -0.15 -0.12 0.09 0.00 1.00 0.00 0.00 64.86 65.68 1ug2 h ILE 61 Cb 0.88 0.26 -0.10 0.00 -0.74 0.00 0.00 36.82 37.11 1ug2 h ILE 61 CO -0.09 0.06 -0.39 -1.28 0.00 0.00 0.00 178.15 176.45 1ug2 h SER 62 N 0.34 -1.32 -0.50 1.72 0.87 -1.35 1.02 113.55 114.33 1ug2 h SER 62 Ca 0.37 0.23 -0.03 0.00 -1.23 0.00 0.00 61.79 61.13 1ug2 h SER 62 Cb 0.57 0.62 -0.02 0.00 -0.44 0.00 0.00 62.40 63.12 1ug2 h SER 62 CO -0.42 -0.33 0.19 1.56 -0.53 0.00 0.00 176.83 177.31 1ug2 h GLN 63 N -0.23 0.74 -0.91 2.24 4.20 -1.32 -2.56 115.11 117.28 1ug2 h GLN 63 Ca 0.19 -0.14 0.08 0.00 0.06 0.00 0.00 58.65 58.84 1ug2 h GLN 63 Cb 0.56 -0.12 -0.07 0.00 0.30 0.00 0.00 27.48 28.15 1ug2 h GLN 63 CO -0.65 0.67 0.56 1.96 -0.67 0.00 0.00 178.83 180.69 1ug2 h GLN 64 N 0.66 0.95 -0.09 1.46 4.20 0.14 -1.94 115.11 120.50 1ug2 h GLN 64 Ca 0.16 -0.06 0.04 0.00 0.06 0.00 0.00 58.65 58.86 1ug2 h GLN 64 Cb 0.20 -0.21 -0.05 0.00 0.30 0.00 0.00 27.48 27.72 1ug2 h GLN 64 CO -0.01 0.63 -0.21 -0.07 -0.67 0.00 0.00 178.83 178.49 1ug2 h LEU 65 N 0.97 -0.65 0.00 1.46 3.38 0.14 -3.48 115.31 117.14 1ug2 h LEU 65 Ca 0.41 0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.49 1ug2 h LEU 65 Cb 0.27 0.29 0.00 0.00 0.09 0.00 0.00 40.66 41.31 1ug2 h LEU 65 CO -0.21 -0.27 0.00 0.61 0.09 0.00 0.00 178.44 178.66 1ug2 n GLY 66 N -1.35 2.54 0.32 0.83 0.00 -0.73 -4.84 105.19 101.96 1ug2 n GLY 66 Ca -0.03 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.64 1ug2 n GLY 66 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1ug2 n ASN 67 N 0.00 0.00 -4.80 1.61 4.13 -1.26 -4.89 115.26 110.05 1ug2 n ASN 67 Ca 0.00 -1.60 -0.30 0.00 1.68 0.00 0.00 54.58 54.36 1ug2 n ASN 67 Cb 0.00 -0.12 0.10 0.00 -1.54 0.00 0.00 39.78 38.22 1ug2 n ASN 67 CO 0.00 0.00 0.00 -0.75 0.28 0.00 0.00 177.26 176.79 1ug2 s LYS 68 N 0.00 1.99 0.28 3.52 2.47 -1.18 -5.06 119.74 121.77 1ug2 s LYS 68 Ca 0.00 0.62 0.11 0.00 -1.56 0.00 0.00 55.97 55.13 1ug2 s LYS 68 Cb 0.00 -1.91 -0.05 0.00 -1.46 0.00 0.00 37.83 34.41 1ug2 s LYS 68 CO 0.00 -1.68 -0.10 0.95 0.16 0.00 0.00 175.35 174.68 1ug2 s THR 69 N -3.16 2.87 -0.53 3.43 -4.23 -1.26 -4.37 115.64 108.38 1ug2 s THR 69 Ca 0.61 -2.16 0.26 0.00 -1.18 0.00 0.00 61.69 59.22 1ug2 s THR 69 Cb -0.14 -2.58 0.28 0.00 1.34 0.00 0.00 72.50 71.40 1ug2 s THR 69 CO 0.54 -0.36 1.76 1.55 -0.54 0.00 0.00 174.62 177.56 1ug2 h PRO 70 N 2.06 0.00 0.12 3.99 0.13 -1.93 -0.68 132.00 135.68 1ug2 h PRO 70 Ca -0.42 0.00 -0.22 0.00 -0.87 0.00 0.00 66.00 64.49 1ug2 h PRO 70 Cb 1.25 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.39 1ug2 h PRO 70 CO 0.61 0.00 -1.04 -0.24 -0.23 0.00 0.00 178.00 177.11 1ug2 h VAL 71 N 0.00 1.31 -0.07 1.56 3.04 -1.95 -3.19 116.25 116.95 1ug2 h VAL 71 Ca 0.00 -2.46 -0.04 0.00 -1.01 0.00 0.00 66.70 63.18 1ug2 h VAL 71 Cb 0.59 2.98 0.00 0.00 -2.01 0.00 0.00 31.29 32.85 1ug2 h VAL 71 CO 0.00 0.69 -0.13 -0.33 -1.01 0.00 0.00 177.57 176.79 1ug2 h GLU 72 N -0.39 0.21 -1.03 4.17 4.39 -1.96 -2.40 114.58 117.57 1ug2 h GLU 72 Ca -0.21 -0.13 0.26 0.00 0.34 0.00 0.00 59.36 59.62 1ug2 h GLU 72 Cb 1.65 0.02 -0.10 0.00 -0.10 0.00 0.00 28.75 30.22 1ug2 h GLU 72 CO 0.10 0.71 0.65 0.28 -1.16 0.00 0.00 179.01 179.59 1ug2 h VAL 73 N -0.27 0.53 -0.27 3.13 2.07 -1.28 0.70 116.25 120.87 1ug2 h VAL 73 Ca 0.00 -0.15 -0.19 0.00 0.82 0.00 0.00 66.70 67.18 1ug2 h VAL 73 Cb 0.70 0.05 0.00 0.00 -1.52 0.00 0.00 31.29 30.52 1ug2 h VAL 73 CO 0.03 0.08 -0.57 -1.28 0.02 0.00 0.00 177.57 175.85 1ug2 h SER 74 N 0.45 0.95 0.41 0.57 0.87 -1.52 -1.31 113.55 113.97 1ug2 h SER 74 Ca 0.60 -0.52 -0.02 0.00 -1.23 0.00 0.00 61.79 60.62 1ug2 h SER 74 Cb 1.43 -0.27 -0.00 0.00 -0.44 0.00 0.00 62.40 63.11 1ug2 h SER 74 CO -0.34 1.31 -0.10 0.45 -0.53 0.00 0.00 176.83 177.63 1ug2 h HIS 75 N 0.64 0.00 0.17 2.24 -0.00 0.77 -0.52 115.15 118.44 1ug2 h HIS 75 Ca 0.01 0.00 -0.32 0.00 -0.00 0.00 0.00 60.37 60.05 1ug2 h HIS 75 Cb 1.18 0.00 0.01 0.00 -0.00 0.00 0.00 27.41 28.60 1ug2 h HIS 75 CO 0.07 0.10 -1.55 -0.09 -0.00 0.00 0.00 177.93 176.46 1ug2 h ARG 76 N 0.00 0.37 -0.38 2.45 9.65 -0.32 -2.97 114.38 123.18 1ug2 h ARG 76 Ca -0.00 -0.63 -0.07 0.00 -1.10 0.00 0.00 59.98 58.18 1ug2 h ARG 76 Cb 0.34 0.23 -0.01 0.00 -1.39 0.00 0.00 29.97 29.14 1ug2 h ARG 76 CO 0.01 1.27 -0.04 0.35 2.80 0.00 0.00 179.97 184.36 1ug2 h PHE 77 N 0.10 0.77 0.00 2.20 3.57 -0.63 0.60 116.94 123.55 1ug2 h PHE 77 Ca -0.26 -0.15 -0.04 0.00 3.53 0.00 0.00 57.97 61.04 1ug2 h PHE 77 Cb 2.08 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 40.62 1ug2 h PHE 77 CO 0.09 0.81 -0.20 0.07 -2.23 0.00 0.00 178.31 176.85 1ug2 h ARG 78 N 0.50 0.00 0.19 1.11 -0.00 -1.24 -2.47 114.38 112.47 1ug2 h ARG 78 Ca 0.10 0.00 -0.26 0.00 -0.00 0.00 0.00 59.98 59.82 1ug2 h ARG 78 Cb 0.53 0.00 0.03 0.00 -0.00 0.00 0.00 29.97 30.53 1ug2 h ARG 78 CO 0.03 0.20 -1.12 0.93 -0.00 0.00 0.00 179.97 180.01 1ug2 h GLU 79 N 0.00 0.43 0.29 0.08 4.39 -1.29 -3.00 114.58 115.47 1ug2 h GLU 79 Ca -0.00 -0.71 0.00 0.00 0.34 0.00 0.00 59.36 58.99 1ug2 h GLU 79 Cb 0.57 0.26 -0.02 0.00 -0.10 0.00 0.00 28.75 29.46 1ug2 h GLU 79 CO 0.03 1.34 -0.31 -0.07 -1.16 0.00 0.00 179.01 178.83 1ug2 h LEU 80 N -0.10 -0.85 -0.69 1.33 3.38 -0.65 0.75 115.31 118.47 1ug2 h LEU 80 Ca -0.19 0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.86 1ug2 h LEU 80 Cb 1.88 0.29 0.00 0.00 0.09 0.00 0.00 40.66 42.92 1ug2 h LEU 80 CO 0.21 -0.44 0.00 0.23 0.09 0.00 0.00 178.44 178.53 1ug2 n MET 81 N -5.43 0.08 -0.10 1.13 2.81 -0.95 -2.13 117.12 112.54 1ug2 n MET 81 Ca -0.09 0.52 -0.19 0.00 -1.81 0.00 0.00 57.70 56.14 1ug2 n MET 81 Cb 0.33 -1.74 -0.10 0.00 -0.71 0.00 0.00 33.22 31.00 1ug2 n MET 81 CO 0.00 0.00 0.00 0.94 1.51 0.00 0.00 175.97 178.42 1ug2 n GLN 82 N -1.91 0.54 -0.13 0.03 -0.06 0.27 -3.37 117.38 112.75 1ug2 n GLN 82 Ca 0.00 0.56 0.25 0.00 -2.00 0.00 0.00 57.00 55.80 1ug2 n GLN 82 Cb 0.06 -1.73 0.69 0.00 -4.06 0.00 0.00 30.24 25.20 1ug2 n GLN 82 CO 0.00 0.00 0.00 1.37 -0.20 0.00 0.00 177.06 178.23 1ug2 h LEU 83 N -1.00 0.05 -0.01 1.69 8.10 0.82 0.39 115.31 125.34 1ug2 h LEU 83 Ca -0.30 0.00 -0.01 0.00 0.11 0.00 0.00 57.88 57.69 1ug2 h LEU 83 Cb 1.17 -0.00 -0.00 0.00 -0.44 0.00 0.00 40.66 41.38 1ug2 h LEU 83 CO -0.18 0.02 -0.02 -0.26 -4.11 0.00 0.00 178.44 173.89 1ug2 h PHE 84 N 0.05 0.04 0.65 0.17 0.04 -1.57 -3.32 116.94 113.00 1ug2 h PHE 84 Ca 0.37 -0.01 -0.03 0.00 2.80 0.00 0.00 57.97 61.10 1ug2 h PHE 84 Cb 1.41 -0.01 0.01 0.00 2.20 0.00 0.00 35.95 39.56 1ug2 h PHE 84 CO -0.00 0.57 -0.31 0.45 -0.60 0.00 0.00 178.31 178.42 1ug2 h HIS 85 N -0.51 -0.81 -3.31 -0.55 3.86 -0.99 -3.43 115.15 109.41 1ug2 h HIS 85 Ca 0.00 -0.02 -0.67 0.00 -1.16 0.00 0.00 60.37 58.53 1ug2 h HIS 85 Cb 0.57 0.27 -0.30 0.00 1.06 0.00 0.00 27.41 29.01 1ug2 h HIS 85 CO 0.12 -0.51 -0.81 0.99 0.86 0.00 0.00 177.93 178.58 1ug2 s THR 86 N -4.55 2.68 0.35 2.45 2.01 0.12 -4.93 115.64 113.76 1ug2 s THR 86 Ca -0.13 -0.79 0.00 0.00 0.31 0.00 0.00 61.69 61.09 1ug2 s THR 86 Cb 0.01 -2.10 0.00 0.00 0.01 0.00 0.00 72.50 70.42 1ug2 s THR 86 CO 0.38 0.53 0.00 0.00 -0.69 0.00 0.00 174.62 174.84 1ug2 n ALA 87 N 3.71 1.63 -3.10 7.40 0.00 -1.25 -3.81 120.51 125.10 1ug2 n ALA 87 Ca -0.19 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.20 1ug2 n ALA 87 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.98 1ug2 n ALA 87 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ug2 n GLU 89 N -1.44 -3.45 -3.83 0.00 -0.58 -1.26 -5.05 120.64 105.03 1ug2 n GLU 89 Ca -0.01 2.72 -0.12 0.00 -0.42 0.00 0.00 57.16 59.33 1ug2 n GLU 89 Cb 0.52 -4.04 -0.13 0.00 -0.57 0.00 0.00 31.44 27.22 1ug2 n GLU 89 CO 0.00 0.00 0.00 -1.12 -0.48 0.00 0.00 177.13 175.53 1ug2 s SER 90 N -0.77 -0.12 0.00 1.62 0.01 -1.26 -5.01 113.70 108.16 1ug2 s SER 90 Ca -0.16 0.23 0.00 0.00 1.31 0.00 0.00 55.95 57.34 1ug2 s SER 90 Cb 0.01 0.27 0.00 0.00 0.21 0.00 0.00 66.02 66.51 1ug2 s SER 90 CO 0.59 -0.07 0.00 0.61 0.41 0.00 0.00 173.24 174.78 1ug2 n GLY 91 N 2.91 -2.01 0.12 3.44 0.00 -1.26 -4.63 105.19 103.76 1ug2 n GLY 91 Ca -0.13 -0.24 -0.16 0.00 0.00 0.00 0.00 46.02 45.49 1ug2 n GLY 91 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ug2 h PRO 92 N 0.00 0.28 -6.99 1.61 0.13 -2.02 -3.44 132.00 121.57 1ug2 h PRO 92 Ca 0.00 -0.27 -0.45 0.00 -0.87 0.00 0.00 66.00 64.41 1ug2 h PRO 92 Cb 0.00 0.07 -0.02 0.00 0.13 0.00 0.00 31.00 31.18 1ug2 h PRO 92 CO 0.00 0.96 0.29 0.45 -0.23 0.00 0.00 178.00 179.47 1ug2 s SER 93 N -6.44 6.91 -0.11 1.44 0.15 -1.26 -5.06 113.70 109.32 1ug2 s SER 93 Ca -0.15 1.61 0.01 0.00 0.70 0.00 0.00 55.95 58.12 1ug2 s SER 93 Cb 0.02 -2.51 0.02 0.00 -1.71 0.00 0.00 66.02 61.85 1ug2 s SER 93 CO 0.77 -0.33 -0.13 -0.55 1.20 0.00 0.00 173.24 174.21 1ug2 s SER 94 N -2.20 2.35 0.00 5.45 0.15 -1.26 -4.64 113.70 113.55 1ug2 s SER 94 Ca 0.60 -0.39 0.00 0.00 0.70 0.00 0.00 55.95 56.86 1ug2 s SER 94 Cb -0.09 -1.01 0.00 0.00 -1.71 0.00 0.00 66.02 63.20 1ug2 s SER 94 CO 0.14 -0.04 0.00 0.61 1.20 0.00 0.00 173.24 175.15