#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ug2 s PRO 2 N 0.00 3.77 0.27 1.61 0.04 -1.26 -5.07 135.00 134.36 1ug2 s PRO 2 Ca 0.00 1.34 0.02 0.00 0.04 0.00 0.00 61.00 62.40 1ug2 s PRO 2 Cb 0.00 -2.09 -0.05 0.00 0.04 0.00 0.00 34.50 32.40 1ug2 s PRO 2 CO 0.00 -0.46 0.11 0.45 0.04 0.00 0.00 177.00 177.14 1ug2 s SER 3 N -2.06 1.34 0.19 6.66 0.15 -1.26 -5.17 113.70 113.56 1ug2 s SER 3 Ca 0.67 -1.43 -0.16 0.00 0.70 0.00 0.00 55.95 55.73 1ug2 s SER 3 Cb -0.16 0.21 0.06 0.00 -1.71 0.00 0.00 66.02 64.42 1ug2 s SER 3 CO 0.21 -0.77 0.79 0.61 1.20 0.00 0.00 173.24 175.28 1ug2 n GLY 4 N -0.51 0.85 2.05 9.45 0.00 -1.26 -5.10 105.19 110.67 1ug2 n GLY 4 Ca -0.00 -1.13 0.00 0.00 0.00 0.00 0.00 46.02 44.89 1ug2 n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1ug2 n SER 5 N -1.23 -0.92 -1.40 1.61 2.88 -1.26 -5.17 113.62 108.13 1ug2 n SER 5 Ca -0.03 0.46 0.00 0.00 -1.33 0.00 0.00 58.87 57.97 1ug2 n SER 5 Cb 0.47 1.02 0.00 0.00 -0.75 0.00 0.00 64.21 64.95 1ug2 n SER 5 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1ug2 n SER 6 N -3.25 -7.61 -3.28 -3.46 7.64 -1.26 -5.07 113.62 97.34 1ug2 n SER 6 Ca 0.00 1.47 -0.20 0.00 1.01 0.00 0.00 58.87 61.15 1ug2 n SER 6 Cb 0.00 -4.32 -0.08 0.00 -1.01 0.00 0.00 64.21 58.80 1ug2 n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ug2 n GLY 7 N -1.93 2.91 3.15 0.23 0.00 -1.26 -5.15 105.19 103.14 1ug2 n GLY 7 Ca 0.00 -1.90 0.05 0.00 0.00 0.00 0.00 46.02 44.17 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 -3.36 -3.92 -0.04 4.61 0.00 -1.26 -5.16 121.76 112.63 1ug2 s ALA 8 Ca 0.40 1.36 0.06 0.00 0.00 0.00 0.00 51.96 53.78 1ug2 s ALA 8 Cb 0.02 -2.77 -0.02 0.00 0.00 0.00 0.00 23.12 20.35 1ug2 s ALA 8 CO 0.28 -1.97 -0.22 0.20 0.00 0.00 0.00 175.76 174.06 1ug2 s GLY 9 N 2.96 1.37 0.16 0.00 0.00 -1.26 -4.96 107.32 105.58 1ug2 s GLY 9 Ca 0.21 -1.05 0.00 0.00 0.00 0.00 0.00 44.72 43.88 1ug2 s GLY 9 CO -0.20 -0.77 0.00 0.00 0.00 0.00 0.00 173.10 172.12 1ug2 n ALA 10 N 2.59 1.43 -2.84 3.20 0.00 -1.26 -5.13 120.51 118.49 1ug2 n ALA 10 Ca -0.17 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.06 1ug2 n ALA 10 Cb 0.52 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.94 1ug2 n ALA 10 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.50 177.02 1ug2 s LEU 11 N -5.78 4.12 1.10 0.00 2.34 -1.26 -4.41 118.68 114.79 1ug2 s LEU 11 Ca 0.00 -0.07 -0.18 0.00 0.06 0.00 0.00 54.13 53.94 1ug2 s LEU 11 Cb 0.00 -2.69 0.26 0.00 -0.56 0.00 0.00 46.19 43.19 1ug2 s LEU 11 CO 0.00 -0.13 1.23 -2.16 -1.06 0.00 0.00 176.35 174.23 1ug2 s PRO 12 N -3.98 -0.45 0.39 1.48 0.04 -1.26 -5.17 135.00 126.05 1ug2 s PRO 12 Ca 0.36 -0.31 0.07 0.00 0.04 0.00 0.00 61.00 61.16 1ug2 s PRO 12 Cb -0.09 -1.71 -0.01 0.00 0.04 0.00 0.00 34.50 32.74 1ug2 s PRO 12 CO 0.28 -3.16 0.47 0.21 0.04 0.00 0.00 177.00 174.84 1ug2 s LYS 13 N -5.70 2.83 0.06 4.56 2.20 -1.26 -5.13 119.74 117.28 1ug2 s LYS 13 Ca 0.74 -1.25 -0.03 0.00 -0.36 0.00 0.00 55.97 55.06 1ug2 s LYS 13 Cb -0.06 -2.66 -0.03 0.00 -1.51 0.00 0.00 37.83 33.58 1ug2 s LYS 13 CO 0.55 -0.12 0.03 0.00 -0.36 0.00 0.00 175.35 175.45 1ug2 s ALA 14 N -2.33 0.26 0.25 3.13 0.00 -1.26 -5.17 121.76 116.65 1ug2 s ALA 14 Ca 0.49 -0.98 0.10 0.00 0.00 0.00 0.00 51.96 51.57 1ug2 s ALA 14 Cb -0.08 0.31 -0.04 0.00 0.00 0.00 0.00 23.12 23.31 1ug2 s ALA 14 CO 0.31 -0.39 -0.02 -1.54 0.00 0.00 0.00 175.76 174.11 1ug2 s SER 15 N -2.77 4.48 -0.05 0.00 1.04 -1.26 -5.13 113.70 110.01 1ug2 s SER 15 Ca 0.04 -0.65 0.04 0.00 0.48 0.00 0.00 55.95 55.87 1ug2 s SER 15 Cb 0.06 -0.81 -0.00 0.00 0.10 0.00 0.00 66.02 65.36 1ug2 s SER 15 CO -0.09 0.02 -0.18 -0.70 0.98 0.00 0.00 173.24 173.27 1ug2 s GLU 16 N -3.55 1.95 0.35 4.02 2.12 -1.26 -5.14 118.70 117.18 1ug2 s GLU 16 Ca 0.31 -0.62 0.07 0.00 0.36 0.00 0.00 54.97 55.08 1ug2 s GLU 16 Cb -0.07 -1.64 -0.02 0.00 0.26 0.00 0.00 34.13 32.66 1ug2 s GLU 16 CO 0.19 0.21 0.38 0.00 -0.54 0.00 0.00 175.26 175.50 1ug2 s ALA 17 N 0.16 4.05 0.49 6.30 0.00 -1.26 -4.94 121.76 126.56 1ug2 s ALA 17 Ca -0.07 -1.62 0.00 0.00 0.00 0.00 0.00 51.96 50.27 1ug2 s ALA 17 Cb -0.13 -1.35 0.00 0.00 0.00 0.00 0.00 23.12 21.64 1ug2 s ALA 17 CO 0.03 -0.05 0.00 2.41 0.00 0.00 0.00 175.76 178.15 1ug2 n THR 18 N -1.52 -5.28 -0.16 0.00 -1.04 -1.26 -4.72 114.28 100.30 1ug2 n THR 18 Ca 0.00 2.38 -0.08 0.00 -2.04 0.00 0.00 64.05 64.31 1ug2 n THR 18 Cb 0.59 -3.26 0.01 0.00 -1.82 0.00 0.00 70.33 65.86 1ug2 n THR 18 CO 0.00 0.00 0.00 1.62 -0.64 0.00 0.00 175.07 176.05 1ug2 h VAL 19 N 1.81 1.15 -6.43 12.58 3.04 -1.90 -3.45 116.25 123.05 1ug2 h VAL 19 Ca 0.00 -0.36 -0.39 0.00 -1.01 0.00 0.00 66.70 64.94 1ug2 h VAL 19 Cb 0.00 0.54 0.01 0.00 -2.01 0.00 0.00 31.29 29.82 1ug2 h VAL 19 CO 0.00 0.16 -0.85 0.00 -1.01 0.00 0.00 177.57 175.87 1ug2 s ALA 21 N -3.07 -1.92 0.51 0.00 0.00 -1.26 -4.87 121.76 111.15 1ug2 s ALA 21 Ca 0.08 2.00 0.00 0.00 0.00 0.00 0.00 51.96 54.04 1ug2 s ALA 21 Cb -0.03 -1.36 0.00 0.00 0.00 0.00 0.00 23.12 21.72 1ug2 s ALA 21 CO 0.87 -0.29 0.00 0.09 0.00 0.00 0.00 175.76 176.43 1ug2 n ASN 22 N 2.66 -8.66 -2.45 0.00 3.02 -1.26 -4.99 115.26 103.58 1ug2 n ASN 22 Ca -0.14 1.10 -0.02 0.00 -0.03 0.00 0.00 54.58 55.49 1ug2 n ASN 22 Cb 0.56 -4.78 -0.02 0.00 -0.61 0.00 0.00 39.78 34.93 1ug2 n ASN 22 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1ug2 n ASN 23 N -4.36 -5.84 0.24 6.41 5.15 -1.26 -4.87 115.26 110.73 1ug2 n ASN 23 Ca -0.05 1.62 -0.17 0.00 -0.60 0.00 0.00 54.58 55.38 1ug2 n ASN 23 Cb 0.69 -4.86 -0.09 0.00 -0.53 0.00 0.00 39.78 34.99 1ug2 n ASN 23 CO 0.00 0.00 0.00 0.28 1.40 0.00 0.00 177.26 178.94 1ug2 h SER 24 N 4.28 -1.25 -3.13 1.20 0.02 -2.06 -3.35 113.55 109.27 1ug2 h SER 24 Ca -0.19 0.11 -0.60 0.00 -0.84 0.00 0.00 61.79 60.27 1ug2 h SER 24 Cb 0.43 0.43 -0.11 0.00 0.14 0.00 0.00 62.40 63.28 1ug2 h SER 24 CO 0.00 -0.59 0.64 -0.75 -1.14 0.00 0.00 176.83 175.00 1ug2 s LYS 25 N -5.91 3.34 0.11 3.45 2.47 -1.26 -5.01 119.74 116.92 1ug2 s LYS 25 Ca -0.17 -0.23 0.07 0.00 -1.56 0.00 0.00 55.97 54.08 1ug2 s LYS 25 Cb 0.05 -4.07 -0.04 0.00 -1.46 0.00 0.00 37.83 32.32 1ug2 s LYS 25 CO 0.62 -1.56 -0.09 0.14 0.16 0.00 0.00 175.35 174.61 1ug2 s VAL 26 N 4.17 3.40 -0.75 4.02 -7.23 -1.26 -5.08 120.40 117.68 1ug2 s VAL 26 Ca 0.32 -1.29 -0.08 0.00 -1.81 0.00 0.00 61.98 59.12 1ug2 s VAL 26 Cb -0.12 -2.61 0.19 0.00 0.56 0.00 0.00 36.38 34.41 1ug2 s VAL 26 CO 0.19 0.09 0.63 -0.44 -0.31 0.00 0.00 175.10 175.26 1ug2 s SER 27 N -2.29 6.02 -0.20 4.85 0.01 -1.26 -5.02 113.70 115.80 1ug2 s SER 27 Ca 0.22 -2.87 0.00 0.00 1.31 0.00 0.00 55.95 54.61 1ug2 s SER 27 Cb -0.11 -2.03 0.02 0.00 0.21 0.00 0.00 66.02 64.12 1ug2 s SER 27 CO 0.14 -0.44 -0.15 -0.94 0.41 0.00 0.00 173.24 172.26 1ug2 s SER 28 N 1.28 3.62 -1.20 2.44 1.04 -1.26 -5.03 113.70 114.59 1ug2 s SER 28 Ca 0.19 -0.73 -0.07 0.00 0.48 0.00 0.00 55.95 55.81 1ug2 s SER 28 Cb -0.15 -1.55 0.22 0.00 0.10 0.00 0.00 66.02 64.64 1ug2 s SER 28 CO -0.06 -0.04 1.74 0.41 0.98 0.00 0.00 173.24 176.26 1ug2 n THR 29 N 4.63 4.76 0.00 2.02 -1.04 -1.26 -4.87 114.28 118.52 1ug2 n THR 29 Ca -0.19 -4.99 0.00 0.00 -2.04 0.00 0.00 64.05 56.82 1ug2 n THR 29 Cb 0.49 -2.24 0.00 0.00 -1.82 0.00 0.00 70.33 66.76 1ug2 n THR 29 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1ug2 n GLY 30 N 2.18 3.20 2.62 3.41 0.00 -1.26 -5.07 105.19 110.27 1ug2 n GLY 30 Ca 0.35 -0.78 -0.24 0.00 0.00 0.00 0.00 46.02 45.35 1ug2 n GLY 30 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1ug2 n GLU 31 N 0.00 2.32 -2.62 1.61 0.28 -1.26 -4.77 120.64 116.20 1ug2 n GLU 31 Ca 0.00 -4.28 -0.04 0.00 -0.16 0.00 0.00 57.16 52.68 1ug2 n GLU 31 Cb 0.00 -2.02 0.11 0.00 1.43 0.00 0.00 31.44 30.97 1ug2 n GLU 31 CO 0.00 0.00 0.00 0.36 -0.16 0.00 0.00 177.13 177.33 1ug2 n LYS 32 N 0.07 1.19 -4.29 3.44 0.00 -1.26 -5.09 118.16 112.23 1ug2 n LYS 32 Ca 0.28 -1.34 -0.19 0.00 -0.00 0.00 0.00 58.31 57.06 1ug2 n LYS 32 Cb 0.49 0.23 -0.13 0.00 -0.00 0.00 0.00 35.03 35.62 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 0.14 1.11 0.00 0.58 0.11 -1.26 -4.73 120.40 116.35 1ug2 s VAL 33 Ca 0.13 -1.10 0.00 0.00 -2.93 0.00 0.00 61.98 58.08 1ug2 s VAL 33 Cb 0.39 -1.03 0.00 0.00 -1.53 0.00 0.00 36.38 34.22 1ug2 s VAL 33 CO -0.11 -0.07 0.00 0.52 -3.33 0.00 0.00 175.10 172.12 1ug2 n VAL 34 N 1.70 0.00 -0.35 2.04 0.31 -1.26 -4.44 118.33 116.33 1ug2 n VAL 34 Ca -0.19 0.00 0.04 0.00 -0.01 0.00 0.00 64.34 64.18 1ug2 n VAL 34 Cb 0.54 0.00 0.12 0.00 -0.91 0.00 0.00 33.84 33.59 1ug2 n VAL 34 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 1ug2 h LEU 35 N 0.00 -0.99 -8.54 7.52 3.38 -1.99 -3.35 115.31 111.35 1ug2 h LEU 35 Ca 0.00 0.29 -0.67 0.00 0.09 0.00 0.00 57.88 57.59 1ug2 h LEU 35 Cb 0.00 0.63 -0.29 0.00 0.09 0.00 0.00 40.66 41.09 1ug2 h LEU 35 CO 0.00 -0.31 -0.82 0.26 0.09 0.00 0.00 178.44 177.66 1ug2 s TRP 36 N -6.20 2.68 0.12 1.13 0.52 -1.26 -5.12 118.94 110.80 1ug2 s TRP 36 Ca -0.15 -0.74 0.02 0.00 0.02 0.00 0.00 56.10 55.26 1ug2 s TRP 36 Cb 0.25 -1.75 -0.04 0.00 -1.15 0.00 0.00 33.47 30.78 1ug2 s TRP 36 CO 0.76 -0.24 0.21 -0.08 0.02 0.00 0.00 176.95 177.62 1ug2 s THR 37 N 0.19 5.07 0.14 2.01 -1.32 -1.26 -4.75 115.64 115.72 1ug2 s THR 37 Ca -0.11 -0.70 -0.32 0.00 -1.21 0.00 0.00 61.69 59.35 1ug2 s THR 37 Cb -0.16 -3.55 -0.09 0.00 -1.51 0.00 0.00 72.50 67.19 1ug2 s THR 37 CO 0.06 -0.01 1.54 -0.09 -2.21 0.00 0.00 174.62 173.91 1ug2 h ARG 38 N 2.58 -0.24 -0.54 7.08 2.43 -1.98 -0.32 114.38 123.39 1ug2 h ARG 38 Ca -0.47 0.02 0.05 0.00 -0.81 0.00 0.00 59.98 58.76 1ug2 h ARG 38 Cb 1.18 0.05 -0.06 0.00 -0.42 0.00 0.00 29.97 30.72 1ug2 h ARG 38 CO 0.69 -0.16 -0.32 0.39 -1.51 0.00 0.00 179.97 179.06 1ug2 n GLU 39 N -5.29 -0.24 -0.31 0.20 1.02 -1.26 0.19 120.64 114.95 1ug2 n GLU 39 Ca -0.02 1.21 0.15 0.00 -0.02 0.00 0.00 57.16 58.49 1ug2 n GLU 39 Cb 0.31 -1.79 0.33 0.00 -0.02 0.00 0.00 31.44 30.27 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 -0.13 1.51 -0.15 0.62 0.00 -1.69 1.58 119.26 120.99 1ug2 h ALA 40 Ca 0.09 0.18 -0.02 0.00 0.00 0.00 0.00 54.91 55.15 1ug2 h ALA 40 Cb 0.22 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1ug2 h ALA 40 CO -0.51 -0.39 0.02 -0.44 0.00 0.00 0.00 179.25 177.93 1ug2 h ASP 41 N 0.36 0.25 0.63 0.00 3.32 0.31 -2.29 116.42 119.01 1ug2 h ASP 41 Ca 0.59 -0.27 -0.03 0.00 0.02 0.00 0.00 57.03 57.34 1ug2 h ASP 41 Cb 1.18 -0.07 0.01 0.00 0.22 0.00 0.00 39.33 40.67 1ug2 h ASP 41 CO -0.56 0.45 -0.30 0.03 -1.72 0.00 0.00 179.24 177.14 1ug2 h ARG 42 N 0.04 -0.82 -0.97 3.56 2.47 0.64 -2.83 114.38 116.48 1ug2 h ARG 42 Ca 0.05 0.06 0.15 0.00 -1.26 0.00 0.00 59.98 58.97 1ug2 h ARG 42 Cb 0.31 0.19 -0.16 0.00 -1.65 0.00 0.00 29.97 28.66 1ug2 h ARG 42 CO 0.00 -0.51 -0.39 0.28 0.56 0.00 0.00 179.97 179.92 1ug2 h VAL 43 N -0.98 0.01 -0.33 2.04 2.07 0.20 1.52 116.25 120.78 1ug2 h VAL 43 Ca -0.09 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.47 1ug2 h VAL 43 Cb 0.69 0.01 -0.06 0.00 -1.52 0.00 0.00 31.29 30.41 1ug2 h VAL 43 CO 0.14 0.00 -0.41 0.40 0.02 0.00 0.00 177.57 177.72 1ug2 h ILE 44 N -0.01 0.00 0.02 4.57 2.04 -1.30 1.45 117.51 124.28 1ug2 h ILE 44 Ca 0.33 0.00 0.02 0.00 1.00 0.00 0.00 64.86 66.21 1ug2 h ILE 44 Cb 0.59 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 36.65 1ug2 h ILE 44 CO -0.97 0.00 -0.12 -0.07 0.00 0.00 0.00 178.15 176.99 1ug2 h LEU 45 N -0.28 -0.35 -0.07 1.44 3.38 -0.40 1.24 115.31 120.27 1ug2 h LEU 45 Ca 0.06 0.05 0.01 0.00 0.09 0.00 0.00 57.88 58.09 1ug2 h LEU 45 Cb 0.43 0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.30 1ug2 h LEU 45 CO -0.46 -0.18 -0.23 0.74 0.09 0.00 0.00 178.44 178.40 1ug2 h THR 46 N -0.22 0.00 0.22 0.22 2.02 0.32 1.44 112.91 116.92 1ug2 h THR 46 Ca 0.04 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.21 1ug2 h THR 46 Cb 0.26 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 66.67 1ug2 h THR 46 CO -0.11 0.00 -0.16 0.24 0.37 0.00 0.00 175.52 175.86 1ug2 h MET 47 N -0.24 -0.37 -0.06 6.66 2.86 0.21 1.47 114.93 125.46 1ug2 h MET 47 Ca 0.02 0.03 0.02 0.00 -2.06 0.00 0.00 59.70 57.70 1ug2 h MET 47 Cb 0.28 0.09 -0.00 0.00 0.06 0.00 0.00 31.60 32.03 1ug2 h MET 47 CO -0.19 -0.25 0.27 0.00 1.06 0.00 0.00 176.91 177.80 1ug2 n GLN 49 N -3.08 0.39 0.38 0.00 -0.06 0.49 0.19 117.38 115.68 1ug2 n GLN 49 Ca -0.01 0.48 -0.16 0.00 -2.00 0.00 0.00 57.00 55.30 1ug2 n GLN 49 Cb 0.34 -1.55 -0.08 0.00 -4.06 0.00 0.00 30.24 24.89 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 -0.86 -0.94 -0.02 3.69 4.22 0.25 -3.19 114.58 117.73 1ug2 h GLU 50 Ca 0.00 0.06 -0.15 0.00 0.08 0.00 0.00 59.36 59.35 1ug2 h GLU 50 Cb 0.45 0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.90 1ug2 h GLU 50 CO 0.00 -0.61 -0.70 1.96 -2.18 0.00 0.00 179.01 177.48 1ug2 h GLN 51 N -1.17 0.10 0.00 1.92 4.20 0.19 -3.50 115.11 116.85 1ug2 h GLN 51 Ca -0.10 -0.09 0.00 0.00 0.06 0.00 0.00 58.65 58.52 1ug2 h GLN 51 Cb 0.77 0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.57 1ug2 h GLN 51 CO 0.16 0.76 0.00 0.41 -0.67 0.00 0.00 178.83 179.49 1ug2 n GLY 52 N 0.48 2.66 2.38 3.46 0.00 0.13 -4.79 105.19 109.51 1ug2 n GLY 52 Ca -0.02 -1.65 -0.26 0.00 0.00 0.00 0.00 46.02 44.09 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 1.04 5.98 -1.93 4.61 0.00 0.49 -4.19 120.51 126.51 1ug2 n ALA 53 Ca 0.00 -2.48 -0.27 0.00 0.00 0.00 0.00 53.44 50.69 1ug2 n ALA 53 Cb 0.00 -2.99 0.07 0.00 0.00 0.00 0.00 19.45 16.53 1ug2 n ALA 53 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1ug2 s GLN 54 N 2.46 2.26 0.05 0.00 1.11 -1.26 -5.01 119.66 119.27 1ug2 s GLN 54 Ca 0.55 -0.06 -0.16 0.00 0.01 0.00 0.00 55.36 55.70 1ug2 s GLN 54 Cb 0.17 -2.10 -0.21 0.00 -1.01 0.00 0.00 33.01 29.86 1ug2 s GLN 54 CO -0.04 -1.28 1.19 -1.00 0.01 0.00 0.00 175.29 174.18 1ug2 h PRO 55 N -0.70 0.61 -0.04 2.91 0.13 -2.00 -3.25 132.00 129.65 1ug2 h PRO 55 Ca -0.45 -0.59 -0.23 0.00 -0.87 0.00 0.00 66.00 63.86 1ug2 h PRO 55 Cb 1.31 0.15 0.01 0.00 0.13 0.00 0.00 31.00 32.60 1ug2 h PRO 55 CO 0.62 1.20 -0.91 1.25 -0.23 0.00 0.00 178.00 179.94 1ug2 h HIS 56 N 0.23 0.81 -0.88 1.56 2.76 -1.97 -3.23 115.15 114.45 1ug2 h HIS 56 Ca -0.08 -0.41 0.23 0.00 -2.20 0.00 0.00 60.37 57.90 1ug2 h HIS 56 Cb 1.44 -0.10 -0.15 0.00 1.55 0.00 0.00 27.41 30.14 1ug2 h HIS 56 CO 0.11 1.23 0.14 1.15 -1.30 0.00 0.00 177.93 179.26 1ug2 h THR 57 N 0.34 0.25 -0.28 6.26 2.02 -1.87 1.44 112.91 121.07 1ug2 h THR 57 Ca -0.08 -0.05 0.08 0.00 0.77 0.00 0.00 66.41 67.14 1ug2 h THR 57 Cb 1.54 0.10 -0.01 0.00 -1.74 0.00 0.00 68.15 68.04 1ug2 h THR 57 CO 0.17 0.02 0.64 -0.26 0.37 0.00 0.00 175.52 176.46 1ug2 h PHE 58 N 0.13 0.00 0.00 3.16 0.04 -1.59 1.60 116.94 120.28 1ug2 h PHE 58 Ca 0.53 0.00 -0.06 0.00 2.80 0.00 0.00 57.97 61.24 1ug2 h PHE 58 Cb 1.06 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.21 1ug2 h PHE 58 CO -0.35 0.00 -0.31 1.03 -0.60 0.00 0.00 178.31 178.08 1ug2 h SER 59 N 0.00 0.00 0.43 2.17 0.87 0.18 0.28 113.55 117.49 1ug2 h SER 59 Ca 0.14 0.00 -0.31 0.00 -1.23 0.00 0.00 61.79 60.39 1ug2 h SER 59 Cb 1.41 0.00 0.02 0.00 -0.44 0.00 0.00 62.40 63.40 1ug2 h SER 59 CO -0.00 0.31 -1.37 1.62 -0.53 0.00 0.00 176.83 176.86 1ug2 h VAL 60 N 0.00 1.38 0.04 2.23 3.04 0.22 -3.05 116.25 120.12 1ug2 h VAL 60 Ca -0.00 -2.87 -0.00 0.00 -1.01 0.00 0.00 66.70 62.82 1ug2 h VAL 60 Cb 0.68 3.00 0.00 0.00 -2.01 0.00 0.00 31.29 32.95 1ug2 h VAL 60 CO 0.04 0.85 -0.02 0.40 -1.01 0.00 0.00 177.57 177.83 1ug2 h ILE 61 N 0.12 1.33 -1.01 3.17 2.04 -1.28 0.45 117.51 122.32 1ug2 h ILE 61 Ca -0.20 -1.25 0.26 0.00 1.00 0.00 0.00 64.86 64.67 1ug2 h ILE 61 Cb 2.08 2.15 -0.08 0.00 -0.74 0.00 0.00 36.82 40.23 1ug2 h ILE 61 CO 0.24 0.31 0.67 0.77 0.00 0.00 0.00 178.15 180.15 1ug2 h SER 62 N -0.60 0.36 0.03 1.72 4.64 -0.56 0.60 113.55 119.74 1ug2 h SER 62 Ca -0.00 0.06 -0.12 0.00 -0.47 0.00 0.00 61.79 61.26 1ug2 h SER 62 Cb 0.55 -0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.63 1ug2 h SER 62 CO 0.01 0.09 -0.59 1.56 -0.87 0.00 0.00 176.83 177.03 1ug2 h GLN 63 N 0.33 0.07 -0.69 4.77 4.20 -1.42 -3.14 115.11 119.24 1ug2 h GLN 63 Ca 0.55 -0.12 0.17 0.00 0.06 0.00 0.00 58.65 59.31 1ug2 h GLN 63 Cb 1.52 0.04 -0.04 0.00 0.30 0.00 0.00 27.48 29.30 1ug2 h GLN 63 CO -0.22 1.06 0.48 1.96 -0.67 0.00 0.00 178.83 181.44 1ug2 h GLN 64 N -0.83 0.20 0.06 1.46 4.20 0.13 -0.46 115.11 119.87 1ug2 h GLN 64 Ca -0.14 -0.01 -0.00 0.00 0.06 0.00 0.00 58.65 58.55 1ug2 h GLN 64 Cb 1.26 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.99 1ug2 h GLN 64 CO -0.02 0.13 -0.03 -0.07 -0.67 0.00 0.00 178.83 178.17 1ug2 h LEU 65 N 0.21 -0.06 0.00 1.46 3.38 0.04 -3.49 115.31 116.85 1ug2 h LEU 65 Ca 0.34 -0.29 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1ug2 h LEU 65 Cb 1.02 0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.79 1ug2 h LEU 65 CO -0.06 0.26 0.00 0.61 0.09 0.00 0.00 178.44 179.33 1ug2 n GLY 66 N -0.26 1.94 0.00 0.83 0.00 -0.18 -4.79 105.19 102.73 1ug2 n GLY 66 Ca -0.08 -0.38 0.04 0.00 0.00 0.00 0.00 46.02 45.59 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 1.45 -4.37 1.61 3.02 -1.26 -4.82 115.26 110.90 1ug2 n ASN 67 Ca 0.00 -0.42 -0.35 0.00 -0.03 0.00 0.00 54.58 53.78 1ug2 n ASN 67 Cb 0.00 1.14 0.08 0.00 -0.61 0.00 0.00 39.78 40.39 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 -1.41 -0.01 -4.24 3.52 3.00 -1.19 -5.00 118.16 112.83 1ug2 n LYS 68 Ca 0.00 0.04 -0.23 0.00 -0.00 0.00 0.00 58.31 58.12 1ug2 n LYS 68 Cb 0.15 -1.69 -0.07 0.00 0.00 0.00 0.00 35.03 33.42 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 -2.13 3.03 -0.28 3.15 -4.23 -1.26 -4.34 115.64 109.58 1ug2 s THR 69 Ca 0.58 -1.86 0.28 0.00 -1.18 0.00 0.00 61.69 59.50 1ug2 s THR 69 Cb -0.27 -2.87 0.34 0.00 1.34 0.00 0.00 72.50 71.04 1ug2 s THR 69 CO 0.66 -0.25 1.79 1.55 -0.54 0.00 0.00 174.62 177.82 1ug2 h PRO 70 N 1.75 0.00 0.21 3.99 0.13 -1.90 -1.28 132.00 134.89 1ug2 h PRO 70 Ca -0.43 0.00 -0.32 0.00 -0.87 0.00 0.00 66.00 64.37 1ug2 h PRO 70 Cb 1.25 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.40 1ug2 h PRO 70 CO 0.63 0.00 -1.45 -0.24 -0.23 0.00 0.00 178.00 176.71 1ug2 h VAL 71 N 0.00 1.30 0.09 1.56 3.04 -1.95 -3.24 116.25 117.05 1ug2 h VAL 71 Ca 0.00 -2.79 -0.00 0.00 -1.01 0.00 0.00 66.70 62.89 1ug2 h VAL 71 Cb 0.70 2.97 0.00 0.00 -2.01 0.00 0.00 31.29 32.96 1ug2 h VAL 71 CO 0.00 0.84 -0.05 -0.33 -1.01 0.00 0.00 177.57 177.02 1ug2 h GLU 72 N 0.12 -0.12 -0.98 4.17 4.39 -1.94 -2.84 114.58 117.37 1ug2 h GLU 72 Ca -0.23 0.01 0.30 0.00 0.34 0.00 0.00 59.36 59.78 1ug2 h GLU 72 Cb 2.10 0.03 -0.18 0.00 -0.10 0.00 0.00 28.75 30.60 1ug2 h GLU 72 CO 0.24 0.40 0.16 0.28 -1.16 0.00 0.00 179.01 178.94 1ug2 h VAL 73 N -0.81 0.04 -0.24 3.13 2.07 -1.38 1.36 116.25 120.43 1ug2 h VAL 73 Ca -0.01 -0.01 -0.02 0.00 0.82 0.00 0.00 66.70 67.48 1ug2 h VAL 73 Cb 0.58 0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.35 1ug2 h VAL 73 CO 0.02 0.00 0.08 -1.28 0.02 0.00 0.00 177.57 176.42 1ug2 h SER 74 N 0.03 0.35 -0.82 0.57 0.87 -1.58 0.26 113.55 113.22 1ug2 h SER 74 Ca 0.65 -0.19 0.09 0.00 -1.23 0.00 0.00 61.79 61.11 1ug2 h SER 74 Cb 1.46 -0.09 -0.06 0.00 -0.44 0.00 0.00 62.40 63.27 1ug2 h SER 74 CO -0.86 0.45 0.53 0.45 -0.53 0.00 0.00 176.83 176.87 1ug2 h HIS 75 N 0.23 0.85 -0.13 2.24 -0.00 0.18 0.46 115.15 118.99 1ug2 h HIS 75 Ca 0.08 0.02 -0.22 0.00 -0.00 0.00 0.00 60.37 60.26 1ug2 h HIS 75 Cb 0.22 -0.28 0.01 0.00 -0.00 0.00 0.00 27.41 27.36 1ug2 h HIS 75 CO -0.00 0.41 -0.76 -0.09 -0.00 0.00 0.00 177.93 177.49 1ug2 h ARG 76 N 0.81 0.75 0.29 2.45 9.65 0.13 -2.29 114.38 126.17 1ug2 h ARG 76 Ca 0.37 -0.63 -0.01 0.00 -1.10 0.00 0.00 59.98 58.61 1ug2 h ARG 76 Cb 0.37 0.14 0.00 0.00 -1.39 0.00 0.00 29.97 29.09 1ug2 h ARG 76 CO -0.14 1.24 -0.14 0.35 2.80 0.00 0.00 179.97 184.07 1ug2 h PHE 77 N 0.46 -0.36 0.00 2.20 3.57 0.81 0.74 116.94 124.36 1ug2 h PHE 77 Ca -0.06 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.43 1ug2 h PHE 77 Cb 1.40 0.12 -0.00 0.00 2.79 0.00 0.00 35.95 40.26 1ug2 h PHE 77 CO 0.09 -0.09 -0.01 0.07 -2.23 0.00 0.00 178.31 176.14 1ug2 h ARG 78 N -0.60 0.00 0.16 1.11 -0.00 -0.22 -1.15 114.38 113.69 1ug2 h ARG 78 Ca -0.04 0.00 -0.31 0.00 -0.00 0.00 0.00 59.98 59.63 1ug2 h ARG 78 Cb 0.43 0.00 0.03 0.00 -0.00 0.00 0.00 29.97 30.43 1ug2 h ARG 78 CO 0.07 0.01 -1.32 0.93 -0.00 0.00 0.00 179.97 179.65 1ug2 h GLU 79 N 0.00 0.59 -0.92 0.08 4.39 -0.98 -1.61 114.58 116.13 1ug2 h GLU 79 Ca -0.00 -0.85 0.13 0.00 0.34 0.00 0.00 59.36 58.98 1ug2 h GLU 79 Cb 0.02 0.29 -0.09 0.00 -0.10 0.00 0.00 28.75 28.88 1ug2 h GLU 79 CO 0.00 1.39 0.54 -0.07 -1.16 0.00 0.00 179.01 179.72 1ug2 h LEU 80 N 0.23 0.75 0.04 1.33 3.38 0.43 0.91 115.31 122.38 1ug2 h LEU 80 Ca -0.21 0.06 -0.24 0.00 0.09 0.00 0.00 57.88 57.59 1ug2 h LEU 80 Cb 2.00 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 42.66 1ug2 h LEU 80 CO 0.25 0.37 -1.10 0.24 0.09 0.00 0.00 178.44 178.29 1ug2 h MET 81 N 0.82 0.14 -0.37 1.13 2.86 -1.54 -3.01 114.93 114.96 1ug2 h MET 81 Ca 0.47 -0.23 -0.13 0.00 -2.06 0.00 0.00 59.70 57.75 1ug2 h MET 81 Cb 0.55 0.09 -0.01 0.00 0.06 0.00 0.00 31.60 32.28 1ug2 h MET 81 CO -0.30 1.10 -0.28 1.96 1.06 0.00 0.00 176.91 180.45 1ug2 h GLN 82 N 0.04 0.78 0.78 1.72 4.20 -0.03 -2.29 115.11 120.32 1ug2 h GLN 82 Ca -0.07 -0.35 -0.04 0.00 0.06 0.00 0.00 58.65 58.25 1ug2 h GLN 82 Cb 1.84 -0.02 0.01 0.00 0.30 0.00 0.00 27.48 29.61 1ug2 h GLN 82 CO 0.16 0.97 -0.38 -0.07 -0.67 0.00 0.00 178.83 178.85 1ug2 h LEU 83 N 0.67 -0.89 -0.57 1.46 3.38 0.72 -2.71 115.31 117.37 1ug2 h LEU 83 Ca 0.08 0.02 0.10 0.00 0.09 0.00 0.00 57.88 58.17 1ug2 h LEU 83 Cb 0.81 0.23 -0.11 0.00 0.09 0.00 0.00 40.66 41.68 1ug2 h LEU 83 CO 0.07 -0.54 -0.36 -0.26 0.09 0.00 0.00 178.44 177.44 1ug2 h PHE 84 N -1.24 -1.02 -0.44 1.13 0.04 -1.55 -1.70 116.94 112.17 1ug2 h PHE 84 Ca -0.11 0.07 0.04 0.00 2.80 0.00 0.00 57.97 60.78 1ug2 h PHE 84 Cb 0.82 0.53 -0.06 0.00 2.20 0.00 0.00 35.95 39.43 1ug2 h PHE 84 CO -0.00 -0.39 -0.38 1.25 -0.60 0.00 0.00 178.31 178.19 1ug2 h HIS 85 N -0.19 -1.18 -0.93 -0.55 2.76 -1.40 -3.09 115.15 110.56 1ug2 h HIS 85 Ca 0.21 0.07 -0.56 0.00 -2.20 0.00 0.00 60.37 57.89 1ug2 h HIS 85 Cb 0.56 0.57 -0.08 0.00 1.55 0.00 0.00 27.41 30.00 1ug2 h HIS 85 CO -0.65 -0.29 1.56 0.99 -1.30 0.00 0.00 177.93 178.25 1ug2 s THR 86 N -4.69 3.88 -0.72 6.26 2.01 -0.64 -4.90 115.64 116.85 1ug2 s THR 86 Ca -0.09 -1.05 -0.11 0.00 0.31 0.00 0.00 61.69 60.75 1ug2 s THR 86 Cb 0.06 -4.92 0.19 0.00 0.01 0.00 0.00 72.50 67.84 1ug2 s THR 86 CO 0.40 -1.76 0.63 0.00 -0.69 0.00 0.00 174.62 173.21 1ug2 s ALA 87 N 5.94 3.87 -0.18 7.40 0.00 -1.17 -4.85 121.76 132.76 1ug2 s ALA 87 Ca 0.53 -3.17 -0.09 0.00 0.00 0.00 0.00 51.96 49.23 1ug2 s ALA 87 Cb 0.00 -3.23 -0.05 0.00 0.00 0.00 0.00 23.12 19.84 1ug2 s ALA 87 CO -0.02 -2.18 0.13 0.00 0.00 0.00 0.00 175.76 173.69 1ug2 n GLU 89 N 3.13 3.62 -1.90 0.00 0.28 -1.26 -4.11 120.64 120.41 1ug2 n GLU 89 Ca -0.17 -4.48 -0.42 0.00 -0.16 0.00 0.00 57.16 51.93 1ug2 n GLU 89 Cb 0.53 -2.29 -0.02 0.00 1.43 0.00 0.00 31.44 31.09 1ug2 n GLU 89 CO 0.00 0.00 0.00 -1.12 -0.16 0.00 0.00 177.13 175.85 1ug2 s SER 90 N -2.68 6.53 -0.84 -1.84 0.01 -1.26 -4.72 113.70 108.90 1ug2 s SER 90 Ca 0.47 2.78 -0.22 0.00 1.31 0.00 0.00 55.95 60.29 1ug2 s SER 90 Cb 0.33 -2.62 -0.21 0.00 0.21 0.00 0.00 66.02 63.73 1ug2 s SER 90 CO -0.20 -0.81 2.17 0.61 0.41 0.00 0.00 173.24 175.42 1ug2 n GLY 91 N 2.45 -0.41 3.55 3.44 0.00 -1.26 -4.71 105.19 108.24 1ug2 n GLY 91 Ca 0.09 0.76 -0.36 0.00 0.00 0.00 0.00 46.02 46.51 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 6.60 2.42 -2.90 1.61 -0.04 -1.26 -4.94 135.00 136.49 1ug2 n PRO 92 Ca 0.56 -2.86 -0.40 0.00 -0.04 0.00 0.00 63.50 60.75 1ug2 n PRO 92 Cb 0.05 -3.59 -0.04 0.00 -0.04 0.00 0.00 33.50 29.87 1ug2 n PRO 92 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1ug2 s SER 93 N 5.26 7.23 -0.03 3.54 0.15 -1.26 -5.05 113.70 123.54 1ug2 s SER 93 Ca 0.61 1.48 0.01 0.00 0.70 0.00 0.00 55.95 58.75 1ug2 s SER 93 Cb 0.02 -2.50 0.02 0.00 -1.71 0.00 0.00 66.02 61.86 1ug2 s SER 93 CO 0.10 -0.09 -0.03 -0.44 1.20 0.00 0.00 173.24 173.98 1ug2 s SER 94 N 0.41 0.75 0.00 5.45 0.01 -1.26 -5.24 113.70 113.82 1ug2 s SER 94 Ca 0.43 -0.10 0.00 0.00 1.31 0.00 0.00 55.95 57.59 1ug2 s SER 94 Cb -0.20 -0.34 0.00 0.00 0.21 0.00 0.00 66.02 65.69 1ug2 s SER 94 CO 0.24 -0.05 0.00 0.61 0.41 0.00 0.00 173.24 174.45