#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 -2.19 -4.33 1.61 -0.04 -1.26 -5.10 135.00 123.69 1ug2 n PRO 2 Ca 0.00 -1.89 -0.17 0.00 -0.04 0.00 0.00 63.50 61.40 1ug2 n PRO 2 Cb 0.00 -1.49 -0.10 0.00 -0.04 0.00 0.00 33.50 31.87 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 -5.14 1.75 0.08 3.54 0.15 -1.26 -5.16 113.70 107.66 1ug2 s SER 3 Ca 0.73 -1.26 -0.21 0.00 0.70 0.00 0.00 55.95 55.91 1ug2 s SER 3 Cb -0.04 0.03 0.07 0.00 -1.71 0.00 0.00 66.02 64.37 1ug2 s SER 3 CO 0.53 -0.56 0.98 0.61 1.20 0.00 0.00 173.24 176.00 1ug2 n GLY 4 N -0.44 0.51 3.25 9.45 0.00 -1.26 -5.19 105.19 111.51 1ug2 n GLY 4 Ca -0.04 -1.07 -0.14 0.00 0.00 0.00 0.00 46.02 44.77 1ug2 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ug2 s SER 5 N -3.23 1.13 -0.14 1.61 0.15 -1.26 -5.17 113.70 106.78 1ug2 s SER 5 Ca 0.22 -1.21 -0.34 0.00 0.70 0.00 0.00 55.95 55.32 1ug2 s SER 5 Cb -0.02 0.14 0.14 0.00 -1.71 0.00 0.00 66.02 64.57 1ug2 s SER 5 CO 0.02 -0.61 1.28 -0.44 1.20 0.00 0.00 173.24 174.70 1ug2 s SER 6 N -3.19 -0.08 0.37 5.45 0.01 -1.26 -5.18 113.70 109.82 1ug2 s SER 6 Ca 0.26 -0.04 0.08 0.00 1.31 0.00 0.00 55.95 57.56 1ug2 s SER 6 Cb 0.06 0.12 -0.04 0.00 0.21 0.00 0.00 66.02 66.37 1ug2 s SER 6 CO 0.05 -0.20 0.18 -0.83 0.41 0.00 0.00 173.24 172.86 1ug2 s GLY 7 N -2.48 2.08 0.19 3.44 0.00 -1.26 -5.05 107.32 104.23 1ug2 s GLY 7 Ca 0.12 -1.91 0.00 0.00 0.00 0.00 0.00 44.72 42.93 1ug2 s GLY 7 CO -0.04 -1.79 0.00 0.00 0.00 0.00 0.00 173.10 171.27 1ug2 n ALA 8 N -1.23 3.00 0.00 3.20 0.00 -1.26 -5.17 120.51 119.05 1ug2 n ALA 8 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1ug2 n ALA 8 Cb 0.62 0.05 0.00 0.00 0.00 0.00 0.00 19.45 20.12 1ug2 n ALA 8 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ug2 n GLY 9 N 1.77 -1.70 1.06 0.00 0.00 -1.26 -4.95 105.19 100.11 1ug2 n GLY 9 Ca 0.00 -2.10 0.00 0.00 0.00 0.00 0.00 46.02 43.92 1ug2 n GLY 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ug2 n ALA 10 N -0.02 3.00 -1.12 4.61 0.00 -1.26 -5.06 120.51 120.65 1ug2 n ALA 10 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.08 1ug2 n ALA 10 Cb 0.00 0.29 0.07 0.00 0.00 0.00 0.00 19.45 19.81 1ug2 n ALA 10 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 1ug2 n LEU 11 N -3.40 -1.18 -4.73 0.00 -0.00 -1.26 -4.39 117.00 102.03 1ug2 n LEU 11 Ca 0.00 0.48 -0.41 0.00 -0.00 0.00 0.00 56.01 56.07 1ug2 n LEU 11 Cb 0.10 -1.09 -0.04 0.00 -0.00 0.00 0.00 43.42 42.39 1ug2 n LEU 11 CO 0.00 -3.96 0.82 -2.16 -0.00 0.00 0.00 177.39 172.10 1ug2 s PRO 12 N -2.56 4.54 0.80 1.47 0.04 -1.26 -5.13 135.00 132.89 1ug2 s PRO 12 Ca 0.58 1.74 -0.11 0.00 0.04 0.00 0.00 61.00 63.24 1ug2 s PRO 12 Cb -0.31 -3.30 0.07 0.00 0.04 0.00 0.00 34.50 31.00 1ug2 s PRO 12 CO 0.65 -0.04 1.13 0.21 0.04 0.00 0.00 177.00 178.99 1ug2 s LYS 13 N 0.07 1.93 -0.30 4.56 2.20 -1.26 -5.04 119.74 121.90 1ug2 s LYS 13 Ca 0.52 1.39 -0.18 0.00 -0.36 0.00 0.00 55.97 57.34 1ug2 s LYS 13 Cb -0.29 -1.84 0.18 0.00 -1.51 0.00 0.00 37.83 34.36 1ug2 s LYS 13 CO 0.33 -1.93 1.23 0.00 -0.36 0.00 0.00 175.35 174.63 1ug2 s ALA 14 N -2.64 -3.57 0.57 3.13 0.00 -1.26 -5.17 121.76 112.82 1ug2 s ALA 14 Ca 0.65 1.53 -0.02 0.00 0.00 0.00 0.00 51.96 54.12 1ug2 s ALA 14 Cb -0.21 -2.46 0.03 0.00 0.00 0.00 0.00 23.12 20.48 1ug2 s ALA 14 CO 0.53 -1.26 0.82 0.45 0.00 0.00 0.00 175.76 176.30 1ug2 s SER 15 N 2.58 5.37 -0.30 0.00 0.15 -1.26 -5.10 113.70 115.14 1ug2 s SER 15 Ca -0.05 0.29 -0.09 0.00 0.70 0.00 0.00 55.95 56.80 1ug2 s SER 15 Cb -0.05 -1.23 0.17 0.00 -1.71 0.00 0.00 66.02 63.20 1ug2 s SER 15 CO -0.12 -1.12 0.84 -0.70 1.20 0.00 0.00 173.24 173.35 1ug2 s GLU 16 N -4.86 0.38 0.53 5.44 2.12 -1.26 -5.14 118.70 115.92 1ug2 s GLU 16 Ca 0.55 0.79 0.00 0.00 0.36 0.00 0.00 54.97 56.68 1ug2 s GLU 16 Cb -0.10 0.46 0.00 0.00 0.26 0.00 0.00 34.13 34.75 1ug2 s GLU 16 CO 0.41 -0.31 0.00 0.00 -0.54 0.00 0.00 175.26 174.82 1ug2 n ALA 17 N 5.33 -3.53 -3.34 6.30 0.00 -1.26 -5.01 120.51 118.99 1ug2 n ALA 17 Ca -0.06 0.79 -0.14 0.00 0.00 0.00 0.00 53.44 54.03 1ug2 n ALA 17 Cb 0.52 -1.43 -0.09 0.00 0.00 0.00 0.00 19.45 18.45 1ug2 n ALA 17 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1ug2 s THR 18 N -3.81 0.02 0.05 0.00 2.01 -1.26 -5.12 115.64 107.53 1ug2 s THR 18 Ca 0.00 -0.15 -0.38 0.00 0.31 0.00 0.00 61.69 61.47 1ug2 s THR 18 Cb 0.00 -0.68 -0.19 0.00 0.01 0.00 0.00 72.50 71.64 1ug2 s THR 18 CO 0.00 -0.08 1.10 1.33 -0.69 0.00 0.00 174.62 176.28 1ug2 n VAL 19 N 2.06 0.23 -3.54 3.82 0.24 -1.26 -4.94 118.33 114.94 1ug2 n VAL 19 Ca -0.17 -0.06 -0.18 0.00 -2.04 0.00 0.00 64.34 61.90 1ug2 n VAL 19 Cb 0.57 -0.28 -0.06 0.00 -1.47 0.00 0.00 33.84 32.59 1ug2 n VAL 19 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1ug2 n ALA 21 N 0.94 -2.92 -2.43 0.00 0.00 -1.26 -5.02 120.51 109.82 1ug2 n ALA 21 Ca -0.19 -0.57 -0.08 0.00 0.00 0.00 0.00 53.44 52.59 1ug2 n ALA 21 Cb 0.57 -1.70 -0.09 0.00 0.00 0.00 0.00 19.45 18.23 1ug2 n ALA 21 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1ug2 s ASN 22 N -1.79 0.27 0.45 0.00 3.84 -1.26 -5.12 114.94 111.33 1ug2 s ASN 22 Ca 0.55 -0.75 0.00 0.00 0.21 0.00 0.00 52.86 52.88 1ug2 s ASN 22 Cb -0.23 0.26 0.00 0.00 -0.55 0.00 0.00 41.25 40.74 1ug2 s ASN 22 CO 0.69 -0.63 0.00 0.59 -2.79 0.00 0.00 177.10 174.96 1ug2 n ASN 23 N 0.21 -7.46 -3.90 -4.21 4.13 -1.26 -4.98 115.26 97.78 1ug2 n ASN 23 Ca -0.16 0.97 -0.11 0.00 1.68 0.00 0.00 54.58 56.96 1ug2 n ASN 23 Cb 0.61 -4.12 -0.12 0.00 -1.54 0.00 0.00 39.78 34.61 1ug2 n ASN 23 CO 0.00 0.00 0.00 -0.44 0.28 0.00 0.00 177.26 177.10 1ug2 s SER 24 N -6.94 0.07 -0.01 6.41 0.01 -1.26 -5.15 113.70 106.83 1ug2 s SER 24 Ca 0.00 -0.18 -0.05 0.00 1.31 0.00 0.00 55.95 57.03 1ug2 s SER 24 Cb 0.00 0.12 -0.04 0.00 0.21 0.00 0.00 66.02 66.31 1ug2 s SER 24 CO 0.00 -0.19 0.23 -0.54 0.41 0.00 0.00 173.24 173.15 1ug2 s LYS 25 N -0.79 3.52 0.44 12.44 1.02 -1.26 -4.92 119.74 130.19 1ug2 s LYS 25 Ca -0.09 -0.16 0.00 0.00 0.02 0.00 0.00 55.97 55.74 1ug2 s LYS 25 Cb -0.05 -3.09 0.00 0.00 -0.52 0.00 0.00 37.83 34.16 1ug2 s LYS 25 CO -0.00 0.67 0.00 0.28 -0.92 0.00 0.00 175.35 175.38 1ug2 n VAL 26 N 1.14 -4.66 -3.74 3.17 0.31 -1.26 -5.06 118.33 108.23 1ug2 n VAL 26 Ca -0.12 2.03 -0.14 0.00 -0.01 0.00 0.00 64.34 66.11 1ug2 n VAL 26 Cb 0.53 -2.80 -0.08 0.00 -0.91 0.00 0.00 33.84 30.57 1ug2 n VAL 26 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 1ug2 s SER 27 N -3.12 -0.23 -0.30 4.52 1.04 -1.26 -5.14 113.70 109.21 1ug2 s SER 27 Ca 0.00 0.14 -0.17 0.00 0.48 0.00 0.00 55.95 56.40 1ug2 s SER 27 Cb 0.00 0.34 0.18 0.00 0.10 0.00 0.00 66.02 66.63 1ug2 s SER 27 CO 0.00 -0.46 1.21 -0.94 0.98 0.00 0.00 173.24 174.03 1ug2 s SER 28 N -1.30 -0.06 -0.19 7.02 1.04 -1.26 -5.07 113.70 113.88 1ug2 s SER 28 Ca -0.13 0.02 -0.16 0.00 0.48 0.00 0.00 55.95 56.15 1ug2 s SER 28 Cb -0.05 1.04 -0.12 0.00 0.10 0.00 0.00 66.02 66.99 1ug2 s SER 28 CO 0.05 -0.01 -0.02 0.35 0.98 0.00 0.00 173.24 174.58 1ug2 n THR 29 N 5.23 1.50 0.00 2.02 -2.24 -1.26 -4.96 114.28 114.57 1ug2 n THR 29 Ca 0.02 0.02 0.00 0.00 -2.27 0.00 0.00 64.05 61.81 1ug2 n THR 29 Cb 0.57 -2.15 0.00 0.00 -2.10 0.00 0.00 70.33 66.65 1ug2 n THR 29 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ug2 n GLY 30 N 1.47 0.67 3.17 3.38 0.00 -1.26 -4.84 105.19 107.78 1ug2 n GLY 30 Ca -0.26 -0.77 0.04 0.00 0.00 0.00 0.00 46.02 45.03 1ug2 n GLY 30 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1ug2 s GLU 31 N 0.00 0.04 -0.29 1.61 -6.30 -1.26 -5.17 118.70 107.33 1ug2 s GLU 31 Ca 0.00 0.08 -0.19 0.00 -2.50 0.00 0.00 54.97 52.37 1ug2 s GLU 31 Cb 0.00 0.05 0.13 0.00 0.00 0.00 0.00 34.13 34.31 1ug2 s GLU 31 CO 0.00 -0.02 0.98 0.21 0.02 0.00 0.00 175.26 176.45 1ug2 s LYS 32 N 2.30 0.44 -0.29 4.30 2.47 -1.26 -4.96 119.74 122.74 1ug2 s LYS 32 Ca -0.02 0.68 -0.15 0.00 -1.56 0.00 0.00 55.97 54.91 1ug2 s LYS 32 Cb -0.03 0.13 0.12 0.00 -1.46 0.00 0.00 37.83 36.60 1ug2 s LYS 32 CO -0.14 -0.08 0.83 0.54 0.16 0.00 0.00 175.35 176.67 1ug2 s VAL 33 N 1.02 -0.19 0.22 4.02 0.11 -1.26 -5.04 120.40 119.27 1ug2 s VAL 33 Ca -0.05 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.00 1ug2 s VAL 33 Cb -0.04 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.81 1ug2 s VAL 33 CO -0.13 0.00 0.00 0.52 -3.33 0.00 0.00 175.10 172.16 1ug2 n VAL 34 N 4.31 0.00 0.00 2.04 0.31 -1.26 -5.03 118.33 118.70 1ug2 n VAL 34 Ca -0.17 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.16 1ug2 n VAL 34 Cb 0.56 -0.19 0.00 0.00 -0.91 0.00 0.00 33.84 33.30 1ug2 n VAL 34 CO 0.00 0.00 0.00 -0.11 -1.32 0.00 0.00 176.83 175.40 1ug2 n LEU 35 N -3.01 1.03 -4.86 7.52 -0.00 -1.26 -4.97 117.00 111.45 1ug2 n LEU 35 Ca 0.00 0.14 -0.29 0.00 -0.00 0.00 0.00 56.01 55.86 1ug2 n LEU 35 Cb 0.00 -0.23 0.08 0.00 -0.00 0.00 0.00 43.42 43.28 1ug2 n LEU 35 CO 0.00 -0.23 0.75 0.26 -0.00 0.00 0.00 177.39 178.17 1ug2 s TRP 36 N -0.46 2.98 0.00 1.96 0.52 -1.26 -5.09 118.94 117.59 1ug2 s TRP 36 Ca 0.00 0.94 0.00 0.00 0.02 0.00 0.00 56.10 57.06 1ug2 s TRP 36 Cb 0.00 -3.27 0.00 0.00 -1.15 0.00 0.00 33.47 29.05 1ug2 s TRP 36 CO 0.00 -1.68 0.00 -2.37 0.02 0.00 0.00 176.95 172.92 1ug2 n THR 37 N -3.31 0.00 -0.01 2.01 5.66 -1.26 -4.83 114.28 112.54 1ug2 n THR 37 Ca 0.07 0.00 -0.00 0.00 -3.05 0.00 0.00 64.05 61.07 1ug2 n THR 37 Cb 0.59 -0.38 -0.00 0.00 -1.55 0.00 0.00 70.33 68.99 1ug2 n THR 37 CO 0.00 0.00 0.00 -0.09 -3.05 0.00 0.00 175.07 171.93 1ug2 h ARG 38 N 0.00 -0.00 -0.61 1.09 2.43 -1.97 -2.92 114.38 112.40 1ug2 h ARG 38 Ca 0.00 0.00 0.05 0.00 -0.81 0.00 0.00 59.98 59.22 1ug2 h ARG 38 Cb 0.00 0.00 -0.07 0.00 -0.42 0.00 0.00 29.97 29.48 1ug2 h ARG 38 CO 0.00 -0.00 -0.36 -1.91 -1.51 0.00 0.00 179.97 176.19 1ug2 n GLU 39 N -2.55 -0.27 -0.25 0.20 4.07 -1.26 0.16 120.64 120.75 1ug2 n GLU 39 Ca -0.00 1.24 0.05 0.00 -0.06 0.00 0.00 57.16 58.39 1ug2 n GLU 39 Cb 0.00 -1.83 0.17 0.00 -0.06 0.00 0.00 31.44 29.72 1ug2 n GLU 39 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1ug2 h ALA 40 N -0.02 0.86 -0.73 4.31 0.00 -1.99 1.35 119.26 123.05 1ug2 h ALA 40 Ca 0.10 0.20 0.01 0.00 0.00 0.00 0.00 54.91 55.22 1ug2 h ALA 40 Cb 0.25 0.32 -0.04 0.00 0.00 0.00 0.00 17.79 18.32 1ug2 h ALA 40 CO -0.57 -0.39 0.48 -0.44 0.00 0.00 0.00 179.25 178.33 1ug2 h ASP 41 N 0.18 0.83 0.65 0.00 5.19 0.94 -1.31 116.42 122.89 1ug2 h ASP 41 Ca 0.41 -0.02 -0.03 0.00 -0.62 0.00 0.00 57.03 56.77 1ug2 h ASP 41 Cb 0.72 -0.21 0.01 0.00 0.18 0.00 0.00 39.33 40.02 1ug2 h ASP 41 CO -0.58 0.60 -0.31 0.03 -3.12 0.00 0.00 179.24 175.87 1ug2 h ARG 42 N 0.98 -0.84 -0.99 3.56 3.08 0.65 -2.91 114.38 117.92 1ug2 h ARG 42 Ca 0.27 0.06 0.27 0.00 0.07 0.00 0.00 59.98 60.65 1ug2 h ARG 42 Cb -0.11 0.19 -0.18 0.00 0.08 0.00 0.00 29.97 29.94 1ug2 h ARG 42 CO -0.06 -0.55 0.04 0.28 -1.07 0.00 0.00 179.97 178.61 1ug2 h VAL 43 N -1.22 0.02 0.09 2.04 2.07 0.16 0.88 116.25 120.29 1ug2 h VAL 43 Ca -0.09 -0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.44 1ug2 h VAL 43 Cb 0.67 0.01 -0.05 0.00 -1.52 0.00 0.00 31.29 30.41 1ug2 h VAL 43 CO 0.15 0.00 -0.51 0.40 0.02 0.00 0.00 177.57 177.63 1ug2 h ILE 44 N 0.01 0.04 -0.23 4.57 2.04 -1.18 1.44 117.51 124.21 1ug2 h ILE 44 Ca 0.60 0.00 0.02 0.00 1.00 0.00 0.00 64.86 66.48 1ug2 h ILE 44 Cb 1.24 0.04 -0.02 0.00 -0.74 0.00 0.00 36.82 37.34 1ug2 h ILE 44 CO -0.92 0.00 0.09 -0.07 0.00 0.00 0.00 178.15 177.26 1ug2 h LEU 45 N -0.71 0.12 0.19 1.44 3.38 0.24 1.08 115.31 121.05 1ug2 h LEU 45 Ca 0.01 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 1ug2 h LEU 45 Cb 0.74 -0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.47 1ug2 h LEU 45 CO -0.30 0.10 -0.27 0.74 0.09 0.00 0.00 178.44 178.81 1ug2 h THR 46 N 0.21 0.00 -0.51 0.22 2.02 0.12 1.11 112.91 116.09 1ug2 h THR 46 Ca 0.10 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.32 1ug2 h THR 46 Cb 0.05 0.00 -0.04 0.00 -1.74 0.00 0.00 68.15 66.41 1ug2 h THR 46 CO -0.09 0.00 0.25 0.24 0.37 0.00 0.00 175.52 176.30 1ug2 h MET 47 N -0.47 0.48 0.00 6.66 2.86 0.21 1.45 114.93 126.12 1ug2 h MET 47 Ca -0.02 -0.03 -0.00 0.00 -2.06 0.00 0.00 59.70 57.59 1ug2 h MET 47 Cb 0.43 -0.11 -0.00 0.00 0.06 0.00 0.00 31.60 31.98 1ug2 h MET 47 CO -0.08 0.32 -0.01 0.00 1.06 0.00 0.00 176.91 178.21 1ug2 n GLN 49 N -3.13 0.31 0.48 0.00 -0.06 0.38 0.18 117.38 115.53 1ug2 n GLN 49 Ca -0.02 0.43 -0.20 0.00 -2.00 0.00 0.00 57.00 55.21 1ug2 n GLN 49 Cb 0.14 -1.39 -0.10 0.00 -4.06 0.00 0.00 30.24 24.83 1ug2 n GLN 49 CO 0.00 0.00 0.00 1.49 -0.20 0.00 0.00 177.06 178.35 1ug2 h GLU 50 N -0.68 -1.23 -0.02 3.69 4.22 0.19 -3.02 114.58 117.73 1ug2 h GLU 50 Ca 0.00 0.08 -0.15 0.00 0.08 0.00 0.00 59.36 59.37 1ug2 h GLU 50 Cb 0.35 0.28 -0.02 0.00 0.50 0.00 0.00 28.75 29.87 1ug2 h GLU 50 CO 0.00 -0.82 -0.69 1.96 -2.18 0.00 0.00 179.01 177.28 1ug2 h GLN 51 N -1.27 0.12 0.00 1.92 1.08 -0.16 -3.50 115.11 113.30 1ug2 h GLN 51 Ca -0.12 -0.10 0.00 0.00 -1.45 0.00 0.00 58.65 56.98 1ug2 h GLN 51 Cb 1.00 0.02 0.00 0.00 -0.05 0.00 0.00 27.48 28.45 1ug2 h GLN 51 CO 0.15 0.76 0.00 0.41 -0.95 0.00 0.00 178.83 179.21 1ug2 n GLY 52 N 0.46 2.62 3.18 3.46 0.00 -0.05 -4.82 105.19 110.02 1ug2 n GLY 52 Ca -0.02 -1.90 -0.43 0.00 0.00 0.00 0.00 46.02 43.68 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 0.90 4.51 -2.48 4.61 0.00 0.13 -4.13 120.51 124.04 1ug2 n ALA 53 Ca 0.00 -3.91 -0.25 0.00 0.00 0.00 0.00 53.44 49.27 1ug2 n ALA 53 Cb 0.00 -3.51 -0.10 0.00 0.00 0.00 0.00 19.45 15.83 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 3.43 1.71 0.07 0.00 -2.07 -1.26 -5.02 119.66 116.52 1ug2 s GLN 54 Ca 0.50 -1.59 0.23 0.00 -1.82 0.00 0.00 55.36 52.67 1ug2 s GLN 54 Cb 0.08 -1.88 0.92 0.00 -1.09 0.00 0.00 33.01 31.05 1ug2 s GLN 54 CO 0.00 0.37 1.71 -0.35 -1.32 0.00 0.00 175.29 175.70 1ug2 n PRO 55 N -0.22 0.07 0.12 9.60 -0.04 -1.26 -2.24 135.00 141.03 1ug2 n PRO 55 Ca -0.09 0.18 0.12 0.00 -0.04 0.00 0.00 63.50 63.67 1ug2 n PRO 55 Cb 0.58 -1.60 0.13 0.00 -0.04 0.00 0.00 33.50 32.57 1ug2 n PRO 55 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 1ug2 h HIS 56 N 0.00 0.00 0.17 0.54 2.76 -1.95 -3.32 115.15 113.35 1ug2 h HIS 56 Ca 0.00 0.00 -0.33 0.00 -2.20 0.00 0.00 60.37 57.84 1ug2 h HIS 56 Cb 0.43 0.00 0.01 0.00 1.55 0.00 0.00 27.41 29.39 1ug2 h HIS 56 CO 0.00 0.00 -1.60 1.15 -1.30 0.00 0.00 177.93 176.18 1ug2 h THR 57 N 0.00 1.10 -0.35 6.26 2.02 -1.77 -3.29 112.91 116.88 1ug2 h THR 57 Ca 0.00 -2.68 0.10 0.00 0.77 0.00 0.00 66.41 64.60 1ug2 h THR 57 Cb 0.91 2.81 -0.01 0.00 -1.74 0.00 0.00 68.15 70.12 1ug2 h THR 57 CO 0.00 0.84 0.45 -0.26 0.37 0.00 0.00 175.52 176.91 1ug2 h PHE 58 N 0.10 0.00 0.00 3.16 0.04 -1.63 1.38 116.94 119.98 1ug2 h PHE 58 Ca -0.28 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.49 1ug2 h PHE 58 Cb 2.07 0.00 0.00 0.00 2.20 0.00 0.00 35.95 40.22 1ug2 h PHE 58 CO 0.09 0.00 0.00 1.03 -0.60 0.00 0.00 178.31 178.83 1ug2 h SER 59 N 0.00 0.00 0.00 2.17 0.87 -1.71 -0.14 113.55 114.73 1ug2 h SER 59 Ca 0.17 0.00 -0.20 0.00 -1.23 0.00 0.00 61.79 60.53 1ug2 h SER 59 Cb 1.06 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.99 1ug2 h SER 59 CO -0.00 0.00 -1.28 0.52 -0.53 0.00 0.00 176.83 175.54 1ug2 n VAL 60 N -2.64 1.50 0.04 2.23 0.31 0.46 -3.73 118.33 116.50 1ug2 n VAL 60 Ca 0.03 -0.02 -0.12 0.00 -0.01 0.00 0.00 64.34 64.23 1ug2 n VAL 60 Cb 0.36 -2.12 -0.06 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 0.93 -1.01 2.52 2.04 -1.36 0.62 117.51 120.25 1ug2 h ILE 61 Ca -0.30 0.00 0.24 0.00 1.00 0.00 0.00 64.86 65.80 1ug2 h ILE 61 Cb 1.14 0.93 -0.12 0.00 -0.74 0.00 0.00 36.82 38.03 1ug2 h ILE 61 CO -0.18 0.00 0.61 0.77 0.00 0.00 0.00 178.15 179.35 1ug2 h SER 62 N -0.05 0.65 0.25 1.72 4.64 -1.23 1.02 113.55 120.56 1ug2 h SER 62 Ca 0.01 0.12 -0.29 0.00 -0.47 0.00 0.00 61.79 61.16 1ug2 h SER 62 Cb 0.06 0.02 0.02 0.00 -0.31 0.00 0.00 62.40 62.20 1ug2 h SER 62 CO -0.03 0.12 -1.24 1.56 -0.87 0.00 0.00 176.83 176.36 1ug2 h GLN 63 N 0.57 0.53 -0.03 4.77 4.20 -1.40 -3.12 115.11 120.63 1ug2 h GLN 63 Ca 0.63 -0.74 -0.05 0.00 0.06 0.00 0.00 58.65 58.54 1ug2 h GLN 63 Cb 1.24 0.25 -0.01 0.00 0.30 0.00 0.00 27.48 29.26 1ug2 h GLN 63 CO -0.44 1.33 -0.23 1.96 -0.67 0.00 0.00 178.83 180.78 1ug2 h GLN 64 N 0.22 0.05 0.17 1.46 4.20 0.36 -2.82 115.11 118.76 1ug2 h GLN 64 Ca -0.18 -0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.51 1ug2 h GLN 64 Cb 1.92 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 29.70 1ug2 h GLN 64 CO 0.23 0.29 -0.08 -0.07 -0.67 0.00 0.00 178.83 178.53 1ug2 h LEU 65 N 0.05 -0.19 0.00 1.46 3.38 0.89 -3.49 115.31 117.41 1ug2 h LEU 65 Ca 0.01 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.79 1ug2 h LEU 65 Cb 0.44 0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.24 1ug2 h LEU 65 CO 0.03 0.08 0.00 0.61 0.09 0.00 0.00 178.44 179.26 1ug2 n GLY 66 N -0.51 1.48 0.00 0.83 0.00 -1.07 -4.81 105.19 101.12 1ug2 n GLY 66 Ca -0.09 -0.26 0.03 0.00 0.00 0.00 0.00 46.02 45.70 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 0.89 -4.42 1.61 3.02 -1.26 -4.85 115.26 110.25 1ug2 n ASN 67 Ca 0.00 -0.53 -0.33 0.00 -0.03 0.00 0.00 54.58 53.69 1ug2 n ASN 67 Cb 0.00 1.06 0.12 0.00 -0.61 0.00 0.00 39.78 40.35 1ug2 n ASN 67 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 1ug2 n LYS 68 N -1.26 -0.32 -4.47 3.52 3.00 -1.22 -5.02 118.16 112.38 1ug2 n LYS 68 Ca 0.01 -0.05 -0.24 0.00 -0.00 0.00 0.00 58.31 58.02 1ug2 n LYS 68 Cb 0.12 -1.88 -0.10 0.00 0.00 0.00 0.00 35.03 33.17 1ug2 n LYS 68 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.40 178.35 1ug2 s THR 69 N -2.40 2.48 -0.41 3.15 -4.23 -1.26 -4.40 115.64 108.57 1ug2 s THR 69 Ca 0.57 -2.36 0.27 0.00 -1.18 0.00 0.00 61.69 58.99 1ug2 s THR 69 Cb -0.21 -2.38 0.31 0.00 1.34 0.00 0.00 72.50 71.57 1ug2 s THR 69 CO 0.67 -0.37 1.77 1.55 -0.54 0.00 0.00 174.62 177.71 1ug2 h PRO 70 N 2.21 0.00 0.00 3.99 0.13 -1.91 -0.04 132.00 136.39 1ug2 h PRO 70 Ca -0.40 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.64 1ug2 h PRO 70 Cb 1.26 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.37 1ug2 h PRO 70 CO 0.62 0.00 -0.69 -0.24 -0.23 0.00 0.00 178.00 177.45 1ug2 h VAL 71 N 0.00 0.49 0.00 1.56 3.04 -1.95 -3.22 116.25 116.17 1ug2 h VAL 71 Ca 0.00 -1.76 -0.24 0.00 -1.01 0.00 0.00 66.70 63.69 1ug2 h VAL 71 Cb 0.64 2.12 -0.04 0.00 -2.01 0.00 0.00 31.29 32.00 1ug2 h VAL 71 CO 0.00 0.28 -1.36 -0.62 -1.01 0.00 0.00 177.57 174.86 1ug2 n GLU 72 N -3.04 0.56 -0.35 4.17 -0.58 -1.02 -3.76 120.64 116.61 1ug2 n GLU 72 Ca -0.01 0.54 0.29 0.00 -0.42 0.00 0.00 57.16 57.56 1ug2 n GLU 72 Cb 0.69 -1.72 0.60 0.00 -0.57 0.00 0.00 31.44 30.45 1ug2 n GLU 72 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 1ug2 h VAL 73 N -1.00 0.42 -0.49 2.62 2.07 -1.16 1.03 116.25 119.74 1ug2 h VAL 73 Ca -0.37 -0.08 -0.09 0.00 0.82 0.00 0.00 66.70 66.99 1ug2 h VAL 73 Cb 1.29 0.17 -0.02 0.00 -1.52 0.00 0.00 31.29 31.22 1ug2 h VAL 73 CO -0.22 0.04 -0.04 -1.28 0.02 0.00 0.00 177.57 176.09 1ug2 h SER 74 N 0.23 0.88 0.65 0.57 0.87 -1.70 -1.55 113.55 113.49 1ug2 h SER 74 Ca 0.63 -0.33 -0.03 0.00 -1.23 0.00 0.00 61.79 60.83 1ug2 h SER 74 Cb 1.92 -0.24 -0.00 0.00 -0.44 0.00 0.00 62.40 63.64 1ug2 h SER 74 CO -0.23 1.00 -0.12 0.45 -0.53 0.00 0.00 176.83 177.39 1ug2 h HIS 75 N 0.75 0.00 0.01 2.24 -0.00 0.92 -0.61 115.15 118.45 1ug2 h HIS 75 Ca 0.13 0.00 -0.20 0.00 -0.00 0.00 0.00 60.37 60.30 1ug2 h HIS 75 Cb 0.57 0.00 -0.02 0.00 -0.00 0.00 0.00 27.41 27.95 1ug2 h HIS 75 CO 0.04 0.12 -0.96 -0.09 -0.00 0.00 0.00 177.93 177.05 1ug2 h ARG 76 N 0.00 0.04 0.01 2.45 9.65 -0.34 -2.65 114.38 123.55 1ug2 h ARG 76 Ca -0.00 -0.06 -0.00 0.00 -1.10 0.00 0.00 59.98 58.82 1ug2 h ARG 76 Cb 0.48 0.02 0.00 0.00 -1.39 0.00 0.00 29.97 29.08 1ug2 h ARG 76 CO 0.02 0.96 -0.01 0.35 2.80 0.00 0.00 179.97 184.09 1ug2 h PHE 77 N 0.02 -0.01 0.00 2.20 3.57 -0.56 -2.19 116.94 119.96 1ug2 h PHE 77 Ca -0.02 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.48 1ug2 h PHE 77 Cb 1.67 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 40.41 1ug2 h PHE 77 CO 0.01 0.76 -0.00 0.07 -2.23 0.00 0.00 178.31 176.92 1ug2 h ARG 78 N -0.95 0.00 0.05 1.11 -0.00 -1.26 -1.41 114.38 111.92 1ug2 h ARG 78 Ca -0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 59.98 59.88 1ug2 h ARG 78 Cb 0.78 0.00 0.01 0.00 -0.00 0.00 0.00 29.97 30.76 1ug2 h ARG 78 CO 0.00 0.00 -0.40 0.93 -0.00 0.00 0.00 179.97 180.50 1ug2 h GLU 79 N 0.00 0.18 -0.02 0.08 4.39 -1.52 -2.96 114.58 114.73 1ug2 h GLU 79 Ca -0.00 -0.26 0.03 0.00 0.34 0.00 0.00 59.36 59.47 1ug2 h GLU 79 Cb 0.00 0.09 -0.04 0.00 -0.10 0.00 0.00 28.75 28.70 1ug2 h GLU 79 CO 0.00 1.07 -0.23 -0.07 -1.16 0.00 0.00 179.01 178.63 1ug2 h LEU 80 N -0.58 -0.67 -0.66 1.33 3.38 -0.69 0.35 115.31 117.77 1ug2 h LEU 80 Ca -0.06 0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1ug2 h LEU 80 Cb 1.25 0.28 0.00 0.00 0.09 0.00 0.00 40.66 42.28 1ug2 h LEU 80 CO 0.08 -0.29 0.00 0.23 0.09 0.00 0.00 178.44 178.55 1ug2 n MET 81 N -5.35 0.08 -0.03 1.13 2.81 -0.60 -1.89 117.12 113.27 1ug2 n MET 81 Ca -0.05 0.51 -0.20 0.00 -1.81 0.00 0.00 57.70 56.16 1ug2 n MET 81 Cb 0.27 -1.73 -0.13 0.00 -0.71 0.00 0.00 33.22 30.91 1ug2 n MET 81 CO 0.00 0.00 0.00 0.37 1.51 0.00 0.00 175.97 177.85 1ug2 h GLN 82 N 0.00 0.13 0.18 0.03 4.15 -0.23 -2.62 115.11 116.75 1ug2 h GLN 82 Ca 0.00 -0.22 0.01 0.00 0.77 0.00 0.00 58.65 59.21 1ug2 h GLN 82 Cb 0.08 0.08 -0.03 0.00 0.21 0.00 0.00 27.48 27.82 1ug2 h GLN 82 CO 0.00 1.11 -0.32 -0.07 -1.93 0.00 0.00 178.83 177.61 1ug2 h LEU 83 N -0.65 -0.91 -1.59 -2.39 3.38 -0.26 -1.16 115.31 111.72 1ug2 h LEU 83 Ca -0.22 0.10 -0.03 0.00 0.09 0.00 0.00 57.88 57.82 1ug2 h LEU 83 Cb 1.45 0.33 -0.01 0.00 0.09 0.00 0.00 40.66 42.52 1ug2 h LEU 83 CO -0.01 -0.43 -0.07 -0.26 0.09 0.00 0.00 178.44 177.76 1ug2 h PHE 84 N -0.59 0.17 0.22 1.13 0.04 -1.66 -1.60 116.94 114.65 1ug2 h PHE 84 Ca 0.01 -0.01 -0.00 0.00 2.80 0.00 0.00 57.97 60.77 1ug2 h PHE 84 Cb 0.59 -0.05 -0.01 0.00 2.20 0.00 0.00 35.95 38.67 1ug2 h PHE 84 CO -0.26 0.25 -0.27 0.45 -0.60 0.00 0.00 178.31 177.88 1ug2 h HIS 85 N 0.17 -0.75 0.00 -0.55 3.86 -0.84 -3.44 115.15 113.60 1ug2 h HIS 85 Ca 0.04 0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.26 1ug2 h HIS 85 Cb 0.24 0.30 0.00 0.00 1.06 0.00 0.00 27.41 29.01 1ug2 h HIS 85 CO 0.00 -0.34 -0.27 2.41 0.86 0.00 0.00 177.93 180.59 1ug2 n THR 86 N -3.98 0.02 -1.31 2.45 -1.04 -0.75 -5.08 114.28 104.59 1ug2 n THR 86 Ca -0.06 0.01 0.00 0.00 -2.04 0.00 0.00 64.05 61.96 1ug2 n THR 86 Cb 0.24 -0.79 0.00 0.00 -1.82 0.00 0.00 70.33 67.96 1ug2 n THR 86 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1ug2 n ALA 87 N -2.69 -2.36 -2.65 2.41 0.00 -0.61 -5.00 120.51 109.61 1ug2 n ALA 87 Ca 0.00 0.32 -0.30 0.00 0.00 0.00 0.00 53.44 53.46 1ug2 n ALA 87 Cb 0.14 -1.14 -0.16 0.00 0.00 0.00 0.00 19.45 18.29 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 2.85 -1.68 -0.01 0.00 2.13 -1.26 -4.93 120.64 117.74 1ug2 n GLU 89 Ca -0.17 1.71 -0.04 0.00 0.66 0.00 0.00 57.16 59.33 1ug2 n GLU 89 Cb 0.52 -5.73 -0.02 0.00 0.27 0.00 0.00 31.44 26.48 1ug2 n GLU 89 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 1ug2 h SER 90 N 0.99 -0.43 -1.42 4.31 0.87 -1.98 -3.48 113.55 112.40 1ug2 h SER 90 Ca 0.00 0.05 0.00 0.00 -1.23 0.00 0.00 61.79 60.61 1ug2 h SER 90 Cb 1.00 0.17 0.00 0.00 -0.44 0.00 0.00 62.40 63.13 1ug2 h SER 90 CO 0.26 -0.11 0.00 0.61 -0.53 0.00 0.00 176.83 177.06 1ug2 n GLY 91 N -1.10 -1.32 2.78 5.77 0.00 -1.26 -4.88 105.19 105.17 1ug2 n GLY 91 Ca -0.01 -0.59 -0.38 0.00 0.00 0.00 0.00 46.02 45.03 1ug2 n GLY 91 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1ug2 n PRO 92 N 0.38 2.35 -1.23 1.61 -0.04 -1.26 -4.86 135.00 131.95 1ug2 n PRO 92 Ca 0.00 -2.06 0.14 0.00 -0.04 0.00 0.00 63.50 61.54 1ug2 n PRO 92 Cb 0.00 -2.93 -0.06 0.00 -0.04 0.00 0.00 33.50 30.48 1ug2 n PRO 92 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1ug2 n SER 93 N 5.86 -6.57 -2.74 3.54 2.88 -1.26 -4.96 113.62 110.37 1ug2 n SER 93 Ca 0.54 0.84 -0.01 0.00 -1.33 0.00 0.00 58.87 58.90 1ug2 n SER 93 Cb 0.32 -3.99 -0.01 0.00 -0.75 0.00 0.00 64.21 59.78 1ug2 n SER 93 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1ug2 n SER 94 N -4.24 -6.18 0.00 -3.46 2.88 -1.26 -5.24 113.62 96.12 1ug2 n SER 94 Ca -0.04 1.34 0.00 0.00 -1.33 0.00 0.00 58.87 58.84 1ug2 n SER 94 Cb 0.63 -4.98 0.00 0.00 -0.75 0.00 0.00 64.21 59.10 1ug2 n SER 94 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42