#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ug2 h PRO 2 N 0.00 -0.11 -3.44 1.61 0.13 -2.16 -3.50 132.00 124.54 1ug2 h PRO 2 Ca 0.00 0.01 0.34 0.00 -0.87 0.00 0.00 66.00 65.48 1ug2 h PRO 2 Cb 0.00 0.02 -0.18 0.00 0.13 0.00 0.00 31.00 30.98 1ug2 h PRO 2 CO 0.00 0.44 -1.17 0.43 -0.23 0.00 0.00 178.00 177.47 1ug2 n SER 3 N -4.82 -7.73 -2.72 1.44 7.64 -1.26 -5.07 113.62 101.10 1ug2 n SER 3 Ca -0.08 1.34 0.00 0.00 1.01 0.00 0.00 58.87 61.15 1ug2 n SER 3 Cb 0.29 -4.85 0.01 0.00 -1.01 0.00 0.00 64.21 58.65 1ug2 n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ug2 n GLY 4 N -4.31 0.56 3.60 0.23 0.00 -1.26 -5.19 105.19 98.82 1ug2 n GLY 4 Ca -0.08 -1.02 0.02 0.00 0.00 0.00 0.00 46.02 44.94 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 -2.76 -0.04 0.08 1.61 0.15 -1.26 -5.19 113.70 106.28 1ug2 s SER 5 Ca 0.18 -0.10 -0.27 0.00 0.70 0.00 0.00 55.95 56.46 1ug2 s SER 5 Cb -0.01 0.12 0.09 0.00 -1.71 0.00 0.00 66.02 64.51 1ug2 s SER 5 CO 0.01 -0.22 1.09 -0.94 1.20 0.00 0.00 173.24 174.38 1ug2 s SER 6 N -2.97 -0.14 0.00 5.45 1.04 -1.26 -5.19 113.70 110.64 1ug2 s SER 6 Ca 0.14 -0.29 0.00 0.00 0.48 0.00 0.00 55.95 56.29 1ug2 s SER 6 Cb 0.06 0.36 0.00 0.00 0.10 0.00 0.00 66.02 66.53 1ug2 s SER 6 CO -0.05 -0.65 0.00 0.61 0.98 0.00 0.00 173.24 174.13 1ug2 n GLY 7 N -0.47 5.38 3.85 7.32 0.00 -1.26 -5.19 105.19 114.82 1ug2 n GLY 7 Ca -0.07 -1.29 -0.01 0.00 0.00 0.00 0.00 46.02 44.65 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 -2.00 -1.93 0.00 4.61 0.00 -1.26 -5.19 121.76 116.00 1ug2 s ALA 8 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 51.96 51.95 1ug2 s ALA 8 Cb 0.00 0.71 0.00 0.00 0.00 0.00 0.00 23.12 23.83 1ug2 s ALA 8 CO 0.00 -1.08 0.00 0.41 0.00 0.00 0.00 175.76 175.09 1ug2 n GLY 9 N -0.68 3.73 3.89 0.00 0.00 -1.26 -5.19 105.19 105.68 1ug2 n GLY 9 Ca -0.03 -0.66 -0.01 0.00 0.00 0.00 0.00 46.02 45.32 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 -1.92 0.60 4.61 0.00 -1.26 -5.16 121.76 116.64 1ug2 s ALA 10 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 51.96 51.84 1ug2 s ALA 10 Cb 0.00 0.77 0.00 0.00 0.00 0.00 0.00 23.12 23.89 1ug2 s ALA 10 CO 0.00 -1.09 0.00 1.28 0.00 0.00 0.00 175.76 175.95 1ug2 n LEU 11 N -0.73 -1.02 -4.78 0.00 4.32 -1.26 -5.00 117.00 108.53 1ug2 n LEU 11 Ca -0.01 2.37 -0.29 0.00 -0.02 0.00 0.00 56.01 58.05 1ug2 n LEU 11 Cb 0.59 -3.44 0.16 0.00 -1.62 0.00 0.00 43.42 39.11 1ug2 n LEU 11 CO 0.18 -2.33 0.73 -2.16 -1.22 0.00 0.00 177.39 172.58 1ug2 s PRO 12 N -4.15 0.64 -0.08 3.23 0.04 -1.26 -5.18 135.00 128.24 1ug2 s PRO 12 Ca 0.00 0.10 -0.04 0.00 0.04 0.00 0.00 61.00 61.11 1ug2 s PRO 12 Cb 0.00 -1.80 0.04 0.00 0.04 0.00 0.00 34.50 32.79 1ug2 s PRO 12 CO 0.00 -2.50 0.18 -1.59 0.04 0.00 0.00 177.00 173.13 1ug2 s LYS 13 N -5.41 0.10 0.00 4.56 -2.85 -1.26 -5.13 119.74 109.75 1ug2 s LYS 13 Ca 0.67 0.48 0.00 0.00 -1.00 0.00 0.00 55.97 56.12 1ug2 s LYS 13 Cb -0.12 -0.18 0.00 0.00 -2.06 0.00 0.00 37.83 35.47 1ug2 s LYS 13 CO 0.54 -0.21 0.00 0.00 0.10 0.00 0.00 175.35 175.78 1ug2 n ALA 14 N 4.59 0.00 -3.61 0.59 0.00 -1.26 -5.19 120.51 115.64 1ug2 n ALA 14 Ca -0.19 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.24 1ug2 n ALA 14 Cb 0.51 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.95 1ug2 n ALA 14 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1ug2 s SER 15 N 0.00 -0.07 -0.30 0.00 0.15 -1.26 -5.16 113.70 107.06 1ug2 s SER 15 Ca 0.00 -0.05 -0.18 0.00 0.70 0.00 0.00 55.95 56.42 1ug2 s SER 15 Cb 0.00 0.11 0.18 0.00 -1.71 0.00 0.00 66.02 64.60 1ug2 s SER 15 CO 0.00 -0.19 1.24 -1.83 1.20 0.00 0.00 173.24 173.67 1ug2 s GLU 16 N -2.30 0.04 0.05 5.44 -1.05 -1.26 -5.18 118.70 114.45 1ug2 s GLU 16 Ca 0.12 0.08 -0.27 0.00 -0.15 0.00 0.00 54.97 54.75 1ug2 s GLU 16 Cb 0.02 0.04 0.09 0.00 -0.44 0.00 0.00 34.13 33.85 1ug2 s GLU 16 CO -0.04 -0.03 1.19 0.00 0.95 0.00 0.00 175.26 177.32 1ug2 s ALA 17 N 2.69 -2.09 0.04 -0.84 0.00 -1.26 -5.17 121.76 115.13 1ug2 s ALA 17 Ca -0.06 0.12 0.08 0.00 0.00 0.00 0.00 51.96 52.10 1ug2 s ALA 17 Cb -0.06 0.69 -0.03 0.00 0.00 0.00 0.00 23.12 23.72 1ug2 s ALA 17 CO -0.10 -1.09 -0.24 0.95 0.00 0.00 0.00 175.76 175.28 1ug2 s THR 18 N -2.29 1.95 -0.01 0.00 -4.23 -1.26 -5.14 115.64 104.67 1ug2 s THR 18 Ca 0.22 -1.30 -0.20 0.00 -1.18 0.00 0.00 61.69 59.22 1ug2 s THR 18 Cb 0.00 -1.68 0.04 0.00 1.34 0.00 0.00 72.50 72.21 1ug2 s THR 18 CO 0.00 0.31 0.43 0.54 -0.54 0.00 0.00 174.62 175.37 1ug2 s VAL 19 N -0.79 0.04 0.17 2.29 0.11 -1.26 -5.08 120.40 115.88 1ug2 s VAL 19 Ca 0.10 -0.34 0.00 0.00 -2.93 0.00 0.00 61.98 58.81 1ug2 s VAL 19 Cb -0.09 -0.80 0.00 0.00 -1.53 0.00 0.00 36.38 33.96 1ug2 s VAL 19 CO 0.02 -0.19 0.00 0.00 -3.33 0.00 0.00 175.10 171.60 1ug2 n ALA 21 N -3.31 -3.22 -2.35 0.00 0.00 -1.26 -4.98 120.51 105.39 1ug2 n ALA 21 Ca 0.00 0.62 -0.31 0.00 0.00 0.00 0.00 53.44 53.75 1ug2 n ALA 21 Cb 0.00 -1.69 -0.05 0.00 0.00 0.00 0.00 19.45 17.72 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 -1.82 6.60 0.59 0.00 3.84 -1.26 -4.91 114.94 117.98 1ug2 s ASN 22 Ca 0.07 0.97 0.00 0.00 0.21 0.00 0.00 52.86 54.12 1ug2 s ASN 22 Cb -0.02 -2.25 0.00 0.00 -0.55 0.00 0.00 41.25 38.43 1ug2 s ASN 22 CO 0.72 -0.17 0.00 0.59 -2.79 0.00 0.00 177.10 175.45 1ug2 n ASN 23 N -0.52 -7.51 -3.57 -4.21 4.13 -1.26 -5.07 115.26 97.26 1ug2 n ASN 23 Ca 0.01 1.47 -0.06 0.00 1.68 0.00 0.00 54.58 57.67 1ug2 n ASN 23 Cb 0.53 -4.71 -0.02 0.00 -1.54 0.00 0.00 39.78 34.04 1ug2 n ASN 23 CO 0.00 0.00 0.00 -0.94 0.28 0.00 0.00 177.26 176.60 1ug2 s SER 24 N -6.72 -0.27 -0.00 6.41 1.04 -1.26 -5.17 113.70 107.72 1ug2 s SER 24 Ca 0.00 -0.08 0.04 0.00 0.48 0.00 0.00 55.95 56.39 1ug2 s SER 24 Cb 0.00 0.35 -0.01 0.00 0.10 0.00 0.00 66.02 66.45 1ug2 s SER 24 CO 0.00 -0.58 -0.12 -0.54 0.98 0.00 0.00 173.24 172.98 1ug2 s LYS 25 N -2.98 0.96 0.62 4.02 -0.14 -1.26 -5.13 119.74 115.84 1ug2 s LYS 25 Ca 0.08 -0.46 -0.18 0.00 -1.36 0.00 0.00 55.97 54.04 1ug2 s LYS 25 Cb -0.01 -0.93 -0.02 0.00 -1.68 0.00 0.00 37.83 35.19 1ug2 s LYS 25 CO -0.06 0.25 1.20 0.54 -0.76 0.00 0.00 175.35 176.52 1ug2 s VAL 26 N -0.35 2.62 0.00 3.17 0.11 -1.26 -3.44 120.40 121.25 1ug2 s VAL 26 Ca 0.04 0.36 0.00 0.00 -2.93 0.00 0.00 61.98 59.45 1ug2 s VAL 26 Cb -0.05 -3.07 0.00 0.00 -1.53 0.00 0.00 36.38 31.73 1ug2 s VAL 26 CO -0.00 -0.11 0.00 -1.20 -3.33 0.00 0.00 175.10 170.46 1ug2 n SER 27 N -1.87 0.00 -2.45 3.54 7.64 -1.26 -4.73 113.62 114.49 1ug2 n SER 27 Ca 0.13 0.00 -0.04 0.00 1.01 0.00 0.00 58.87 59.97 1ug2 n SER 27 Cb 0.50 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.67 1ug2 n SER 27 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1ug2 n SER 28 N 2.39 -2.79 -4.66 6.43 2.88 -1.22 -4.86 113.62 111.79 1ug2 n SER 28 Ca 0.00 1.40 -0.43 0.00 -1.33 0.00 0.00 58.87 58.51 1ug2 n SER 28 Cb 0.00 -4.99 -0.02 0.00 -0.75 0.00 0.00 64.21 58.45 1ug2 n SER 28 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 1ug2 s THR 29 N -0.60 4.10 0.65 2.46 2.01 -1.26 -5.01 115.64 117.98 1ug2 s THR 29 Ca -0.20 1.34 0.01 0.00 0.31 0.00 0.00 61.69 63.15 1ug2 s THR 29 Cb 0.01 -3.87 0.09 0.00 0.01 0.00 0.00 72.50 68.75 1ug2 s THR 29 CO 0.54 -0.11 0.90 -0.83 -0.69 0.00 0.00 174.62 174.43 1ug2 s GLY 30 N 2.25 1.78 -0.01 4.40 0.00 -1.26 -5.12 107.32 109.37 1ug2 s GLY 30 Ca 0.59 -1.61 0.03 0.00 0.00 0.00 0.00 44.72 43.73 1ug2 s GLY 30 CO 0.19 -1.16 -0.09 -0.54 0.00 0.00 0.00 173.10 171.50 1ug2 s GLU 31 N -4.96 0.77 0.52 2.90 8.01 -1.26 -5.15 118.70 119.52 1ug2 s GLU 31 Ca 0.63 -0.33 0.08 0.00 0.01 0.00 0.00 54.97 55.36 1ug2 s GLU 31 Cb -0.07 -0.74 0.05 0.00 -4.31 0.00 0.00 34.13 29.05 1ug2 s GLU 31 CO 0.42 0.19 0.62 0.21 0.01 0.00 0.00 175.26 176.70 1ug2 s LYS 32 N -0.17 2.43 -0.65 1.61 2.20 -1.26 -4.94 119.74 118.97 1ug2 s LYS 32 Ca 0.03 -1.62 -0.29 0.00 -0.36 0.00 0.00 55.97 53.73 1ug2 s LYS 32 Cb -0.04 -2.53 -0.13 0.00 -1.51 0.00 0.00 37.83 33.62 1ug2 s LYS 32 CO -0.00 -0.60 2.49 1.55 -0.36 0.00 0.00 175.35 178.42 1ug2 n VAL 33 N -1.98 -0.02 -3.16 4.02 3.14 -1.26 -4.77 118.33 114.30 1ug2 n VAL 33 Ca 0.09 -0.46 -0.20 0.00 -2.96 0.00 0.00 64.34 60.81 1ug2 n VAL 33 Cb 0.62 -1.87 -0.04 0.00 -1.06 0.00 0.00 33.84 31.48 1ug2 n VAL 33 CO 0.00 0.00 0.00 0.55 -6.46 0.00 0.00 176.83 170.92 1ug2 n VAL 34 N 7.74 0.27 0.00 1.55 3.14 -1.26 -4.83 118.33 124.94 1ug2 n VAL 34 Ca 0.47 -4.67 0.00 0.00 -2.96 0.00 0.00 64.34 57.18 1ug2 n VAL 34 Cb 0.33 -0.65 0.00 0.00 -1.06 0.00 0.00 33.84 32.46 1ug2 n VAL 34 CO 0.00 0.00 0.00 0.18 -6.46 0.00 0.00 176.83 170.55 1ug2 n LEU 35 N 0.35 0.00 -4.71 6.55 4.32 -1.26 -4.76 117.00 117.49 1ug2 n LEU 35 Ca 0.25 0.00 -0.42 0.00 -0.02 0.00 0.00 56.01 55.82 1ug2 n LEU 35 Cb 0.60 0.00 -0.03 0.00 -1.62 0.00 0.00 43.42 42.37 1ug2 n LEU 35 CO 0.23 0.00 0.96 0.26 -1.22 0.00 0.00 177.39 177.62 1ug2 s TRP 36 N 0.00 3.35 0.17 -1.77 0.52 -1.26 -5.00 118.94 114.94 1ug2 s TRP 36 Ca 0.00 1.15 -0.15 0.00 0.02 0.00 0.00 56.10 57.12 1ug2 s TRP 36 Cb 0.00 -3.53 -0.07 0.00 -1.15 0.00 0.00 33.47 28.72 1ug2 s TRP 36 CO 0.00 -1.75 0.58 0.99 0.02 0.00 0.00 176.95 176.79 1ug2 s THR 37 N 1.10 4.82 0.10 2.01 2.01 -1.26 -4.89 115.64 119.53 1ug2 s THR 37 Ca 0.61 0.86 -0.20 0.00 0.31 0.00 0.00 61.69 63.27 1ug2 s THR 37 Cb -0.32 -3.74 -0.04 0.00 0.01 0.00 0.00 72.50 68.41 1ug2 s THR 37 CO 0.30 0.20 1.28 -1.14 -0.69 0.00 0.00 174.62 174.56 1ug2 n ARG 38 N 0.68 -0.28 -0.26 4.92 3.00 -1.26 -0.86 116.66 122.59 1ug2 n ARG 38 Ca -0.04 1.26 -0.07 0.00 -0.00 0.00 0.00 57.85 59.00 1ug2 n ARG 38 Cb 0.52 -1.86 -0.06 0.00 0.00 0.00 0.00 32.46 31.05 1ug2 n ARG 38 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 1ug2 n GLU 39 N -4.44 -0.27 -0.33 -0.14 1.02 -1.26 0.20 120.64 115.42 1ug2 n GLU 39 Ca 0.01 1.23 0.19 0.00 -0.02 0.00 0.00 57.16 58.58 1ug2 n GLU 39 Cb 0.16 -1.81 0.41 0.00 -0.02 0.00 0.00 31.44 30.18 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 0.00 1.75 -0.28 0.62 0.00 -1.40 1.64 119.26 121.60 1ug2 h ALA 40 Ca 0.10 0.18 -0.16 0.00 0.00 0.00 0.00 54.91 55.02 1ug2 h ALA 40 Cb 0.25 0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.18 1ug2 h ALA 40 CO -0.58 -0.46 -0.48 -0.44 0.00 0.00 0.00 179.25 177.29 1ug2 h ASP 41 N 0.38 0.83 0.42 0.00 5.19 0.39 -2.91 116.42 120.73 1ug2 h ASP 41 Ca 0.67 -0.42 -0.02 0.00 -0.62 0.00 0.00 57.03 56.64 1ug2 h ASP 41 Cb 1.41 -0.24 0.00 0.00 0.18 0.00 0.00 39.33 40.69 1ug2 h ASP 41 CO -0.57 1.18 -0.20 0.03 -3.12 0.00 0.00 179.24 176.55 1ug2 h ARG 42 N 0.60 -0.55 -0.99 3.56 2.47 1.12 -3.06 114.38 117.54 1ug2 h ARG 42 Ca 0.03 0.04 0.35 0.00 -1.26 0.00 0.00 59.98 59.13 1ug2 h ARG 42 Cb 1.05 0.12 -0.17 0.00 -1.65 0.00 0.00 29.97 29.33 1ug2 h ARG 42 CO 0.10 -0.24 0.37 0.28 0.56 0.00 0.00 179.97 181.05 1ug2 h VAL 43 N -0.97 0.08 0.02 2.04 2.07 0.18 0.74 116.25 120.42 1ug2 h VAL 43 Ca -0.06 -0.02 0.00 0.00 0.82 0.00 0.00 66.70 67.44 1ug2 h VAL 43 Cb 0.56 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.33 1ug2 h VAL 43 CO 0.10 0.01 -0.05 0.40 0.02 0.00 0.00 177.57 178.04 1ug2 h ILE 44 N 0.07 0.00 -0.79 4.57 2.04 -1.42 0.57 117.51 122.56 1ug2 h ILE 44 Ca 0.73 0.00 0.12 0.00 1.00 0.00 0.00 64.86 66.71 1ug2 h ILE 44 Cb 1.77 0.00 -0.08 0.00 -0.74 0.00 0.00 36.82 37.77 1ug2 h ILE 44 CO -0.78 0.00 0.41 -0.07 0.00 0.00 0.00 178.15 177.71 1ug2 h LEU 45 N -0.09 0.51 0.00 1.44 3.38 -0.82 1.49 115.31 121.23 1ug2 h LEU 45 Ca -0.00 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1ug2 h LEU 45 Cb 0.08 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 40.82 1ug2 h LEU 45 CO -0.02 0.26 -0.01 0.74 0.09 0.00 0.00 178.44 179.50 1ug2 h THR 46 N 0.63 0.00 -0.19 0.22 2.02 0.93 0.44 112.91 116.97 1ug2 h THR 46 Ca 0.41 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.58 1ug2 h THR 46 Cb 0.50 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 66.91 1ug2 h THR 46 CO -0.31 0.00 0.09 0.24 0.37 0.00 0.00 175.52 175.91 1ug2 h MET 47 N -0.01 0.27 -0.32 6.66 2.86 0.41 0.22 114.93 125.02 1ug2 h MET 47 Ca -0.00 -0.04 0.09 0.00 -2.06 0.00 0.00 59.70 57.69 1ug2 h MET 47 Cb 0.01 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 31.61 1ug2 h MET 47 CO -0.00 0.29 0.51 0.00 1.06 0.00 0.00 176.91 178.76 1ug2 h GLN 49 N 0.00 0.00 0.95 0.00 4.15 0.12 0.96 115.11 121.29 1ug2 h GLN 49 Ca 0.15 0.00 -0.05 0.00 0.77 0.00 0.00 58.65 59.52 1ug2 h GLN 49 Cb 1.17 0.00 0.01 0.00 0.21 0.00 0.00 27.48 28.86 1ug2 h GLN 49 CO -0.00 0.00 -0.48 1.49 -1.93 0.00 0.00 178.83 177.91 1ug2 h GLU 50 N -0.80 -1.26 -0.05 1.69 4.81 0.14 -3.06 114.58 116.05 1ug2 h GLU 50 Ca 0.00 0.09 -0.16 0.00 -0.13 0.00 0.00 59.36 59.16 1ug2 h GLU 50 Cb 0.38 0.29 -0.01 0.00 0.63 0.00 0.00 28.75 30.03 1ug2 h GLU 50 CO 0.00 -0.84 -0.67 1.96 -0.73 0.00 0.00 179.01 178.73 1ug2 h GLN 51 N -1.31 0.21 0.00 1.92 4.20 0.16 -3.50 115.11 116.79 1ug2 h GLN 51 Ca -0.13 -0.16 0.00 0.00 0.06 0.00 0.00 58.65 58.42 1ug2 h GLN 51 Cb 1.01 0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.82 1ug2 h GLN 51 CO 0.20 0.80 0.00 0.41 -0.67 0.00 0.00 178.83 179.57 1ug2 n GLY 52 N 0.41 2.69 3.58 3.46 0.00 0.20 -4.86 105.19 110.66 1ug2 n GLY 52 Ca -0.03 -1.74 -0.37 0.00 0.00 0.00 0.00 46.02 43.88 1ug2 n GLY 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ug2 s ALA 53 N -1.98 2.68 0.17 4.61 0.00 0.33 -4.27 121.76 123.30 1ug2 s ALA 53 Ca 0.00 -2.54 0.08 0.00 0.00 0.00 0.00 51.96 49.50 1ug2 s ALA 53 Cb 0.00 -4.64 -0.04 0.00 0.00 0.00 0.00 23.12 18.43 1ug2 s ALA 53 CO 0.00 -4.05 -0.16 1.14 0.00 0.00 0.00 175.76 172.70 1ug2 s GLN 54 N 5.18 1.25 0.00 0.00 -2.07 -1.26 -5.02 119.66 117.74 1ug2 s GLN 54 Ca 0.59 -1.45 0.22 0.00 -1.82 0.00 0.00 55.36 52.90 1ug2 s GLN 54 Cb 0.02 -1.16 1.02 0.00 -1.09 0.00 0.00 33.01 31.80 1ug2 s GLN 54 CO 0.08 0.21 1.71 -0.35 -1.32 0.00 0.00 175.29 175.63 1ug2 n PRO 55 N 0.05 0.13 0.10 9.60 -0.04 -1.26 -2.18 135.00 141.39 1ug2 n PRO 55 Ca -0.11 0.10 0.12 0.00 -0.04 0.00 0.00 63.50 63.57 1ug2 n PRO 55 Cb 0.58 -1.50 0.07 0.00 -0.04 0.00 0.00 33.50 32.61 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 0.15 0.54 2.76 -1.95 -3.35 115.15 113.30 1ug2 h HIS 56 Ca 0.00 0.00 -0.28 0.00 -2.20 0.00 0.00 60.37 57.89 1ug2 h HIS 56 Cb 0.31 0.00 0.01 0.00 1.55 0.00 0.00 27.41 29.28 1ug2 h HIS 56 CO 0.00 0.00 -1.36 1.15 -1.30 0.00 0.00 177.93 176.42 1ug2 h THR 57 N 0.00 1.13 -0.43 6.26 2.02 -1.75 -3.30 112.91 116.84 1ug2 h THR 57 Ca 0.00 -2.47 0.13 0.00 0.77 0.00 0.00 66.41 64.83 1ug2 h THR 57 Cb 0.91 2.85 -0.02 0.00 -1.74 0.00 0.00 68.15 70.15 1ug2 h THR 57 CO 0.00 0.74 0.74 -0.26 0.37 0.00 0.00 175.52 177.11 1ug2 h PHE 58 N -0.21 0.00 -0.10 3.16 0.04 -1.67 1.51 116.94 119.67 1ug2 h PHE 58 Ca -0.28 0.00 -0.07 0.00 2.80 0.00 0.00 57.97 60.42 1ug2 h PHE 58 Cb 1.83 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.97 1ug2 h PHE 58 CO 0.14 0.00 -0.27 1.03 -0.60 0.00 0.00 178.31 178.61 1ug2 h SER 59 N 0.00 0.17 0.02 2.17 0.87 -1.74 0.14 113.55 115.19 1ug2 h SER 59 Ca 0.21 -0.05 -0.14 0.00 -1.23 0.00 0.00 61.79 60.58 1ug2 h SER 59 Cb 1.68 -0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 63.58 1ug2 h SER 59 CO -0.00 0.45 -0.73 1.62 -0.53 0.00 0.00 176.83 177.64 1ug2 h VAL 60 N 0.16 1.33 -0.22 2.23 3.04 0.19 -3.30 116.25 119.68 1ug2 h VAL 60 Ca 0.03 -2.30 0.06 0.00 -1.01 0.00 0.00 66.70 63.47 1ug2 h VAL 60 Cb 0.57 2.83 -0.07 0.00 -2.01 0.00 0.00 31.29 32.61 1ug2 h VAL 60 CO 0.04 0.51 -0.26 0.40 -1.01 0.00 0.00 177.57 177.25 1ug2 h ILE 61 N -0.87 0.36 -0.86 3.17 2.04 -1.33 0.50 117.51 120.53 1ug2 h ILE 61 Ca -0.19 0.00 0.21 0.00 1.00 0.00 0.00 64.86 65.88 1ug2 h ILE 61 Cb 1.26 0.36 -0.15 0.00 -0.74 0.00 0.00 36.82 37.55 1ug2 h ILE 61 CO -0.07 0.00 0.01 -1.28 0.00 0.00 0.00 178.15 176.81 1ug2 h SER 62 N -0.28 -0.41 -0.09 1.72 0.87 -1.12 1.14 113.55 115.37 1ug2 h SER 62 Ca 0.13 0.23 -0.03 0.00 -1.23 0.00 0.00 61.79 60.89 1ug2 h SER 62 Cb 0.48 0.41 -0.00 0.00 -0.44 0.00 0.00 62.40 62.84 1ug2 h SER 62 CO -0.38 -0.24 -0.06 1.56 -0.53 0.00 0.00 176.83 177.17 1ug2 h GLN 63 N 0.07 0.20 -0.95 2.24 4.20 -1.13 -3.02 115.11 116.73 1ug2 h GLN 63 Ca 0.49 -0.10 0.11 0.00 0.06 0.00 0.00 58.65 59.21 1ug2 h GLN 63 Cb 0.91 -0.00 -0.07 0.00 0.30 0.00 0.00 27.48 28.61 1ug2 h GLN 63 CO -0.77 0.59 0.61 1.96 -0.67 0.00 0.00 178.83 180.54 1ug2 h GLN 64 N -0.18 0.91 -0.12 1.46 1.08 0.31 -1.45 115.11 117.12 1ug2 h GLN 64 Ca 0.02 -0.05 0.04 0.00 -1.45 0.00 0.00 58.65 57.20 1ug2 h GLN 64 Cb 0.54 -0.21 -0.05 0.00 -0.05 0.00 0.00 27.48 27.72 1ug2 h GLN 64 CO 0.02 0.60 -0.16 -0.07 -0.95 0.00 0.00 178.83 178.27 1ug2 h LEU 65 N 0.94 -0.50 0.00 1.46 3.38 0.13 -3.48 115.31 117.24 1ug2 h LEU 65 Ca 0.46 0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.51 1ug2 h LEU 65 Cb 0.46 0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.44 1ug2 h LEU 65 CO -0.22 -0.21 0.00 0.61 0.09 0.00 0.00 178.44 178.71 1ug2 n GLY 66 N -1.30 1.85 0.21 0.83 0.00 -0.55 -4.83 105.19 101.40 1ug2 n GLY 66 Ca -0.03 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.75 1ug2 n GLY 66 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1ug2 n ASN 67 N 0.00 0.08 -2.93 1.61 6.94 -1.26 -4.87 115.26 114.83 1ug2 n ASN 67 Ca 0.00 -1.47 0.00 0.00 -0.02 0.00 0.00 54.58 53.09 1ug2 n ASN 67 Cb 0.00 -0.09 0.00 0.00 -2.36 0.00 0.00 39.78 37.33 1ug2 n ASN 67 CO 0.00 0.00 0.00 1.17 -1.03 0.00 0.00 177.26 177.40 1ug2 n LYS 68 N -0.03 -1.12 -4.13 -3.83 3.00 -1.17 -5.06 118.16 105.82 1ug2 n LYS 68 Ca 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 58.31 58.22 1ug2 n LYS 68 Cb 0.58 0.00 -0.10 0.00 0.00 0.00 0.00 35.03 35.51 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 -0.84 0.44 -0.50 3.15 -4.23 -1.26 -4.75 115.64 107.65 1ug2 s THR 69 Ca 0.00 -1.84 0.26 0.00 -1.18 0.00 0.00 61.69 58.92 1ug2 s THR 69 Cb 0.00 -1.56 0.29 0.00 1.34 0.00 0.00 72.50 72.57 1ug2 s THR 69 CO 0.00 -0.92 1.76 1.55 -0.54 0.00 0.00 174.62 176.47 1ug2 h PRO 70 N 3.11 0.00 0.14 3.99 0.13 -1.92 -1.07 132.00 136.38 1ug2 h PRO 70 Ca -0.35 0.00 -0.35 0.00 -0.87 0.00 0.00 66.00 64.43 1ug2 h PRO 70 Cb 1.15 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.28 1ug2 h PRO 70 CO 0.65 0.00 -1.85 -0.24 -0.23 0.00 0.00 178.00 176.32 1ug2 h VAL 71 N 0.00 0.80 0.09 1.56 3.04 -1.96 -3.33 116.25 116.45 1ug2 h VAL 71 Ca 0.00 -2.46 -0.00 0.00 -1.01 0.00 0.00 66.70 63.22 1ug2 h VAL 71 Cb 0.59 2.62 0.00 0.00 -2.01 0.00 0.00 31.29 32.50 1ug2 h VAL 71 CO 0.00 0.86 -0.04 -0.33 -1.01 0.00 0.00 177.57 177.04 1ug2 h GLU 72 N 0.08 -0.12 -0.99 4.17 4.39 -1.95 -2.72 114.58 117.44 1ug2 h GLU 72 Ca -0.37 0.01 0.34 0.00 0.34 0.00 0.00 59.36 59.68 1ug2 h GLU 72 Cb 2.06 0.03 -0.18 0.00 -0.10 0.00 0.00 28.75 30.56 1ug2 h GLU 72 CO 0.13 0.36 0.32 0.28 -1.16 0.00 0.00 179.01 178.93 1ug2 h VAL 73 N -0.67 0.05 -0.28 3.13 2.07 -1.38 1.54 116.25 120.72 1ug2 h VAL 73 Ca -0.01 -0.01 -0.05 0.00 0.82 0.00 0.00 66.70 67.45 1ug2 h VAL 73 Cb 0.53 0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.30 1ug2 h VAL 73 CO 0.02 0.01 -0.01 -1.28 0.02 0.00 0.00 177.57 176.33 1ug2 h SER 74 N 0.04 0.49 -0.07 0.57 0.87 -1.66 0.15 113.55 113.95 1ug2 h SER 74 Ca 0.72 -0.32 0.02 0.00 -1.23 0.00 0.00 61.79 60.98 1ug2 h SER 74 Cb 1.72 -0.13 -0.00 0.00 -0.44 0.00 0.00 62.40 63.55 1ug2 h SER 74 CO -0.81 0.69 0.06 0.45 -0.53 0.00 0.00 176.83 176.69 1ug2 h HIS 75 N 0.28 0.00 0.22 2.24 -0.00 0.23 0.48 115.15 118.60 1ug2 h HIS 75 Ca 0.08 0.00 -0.34 0.00 -0.00 0.00 0.00 60.37 60.11 1ug2 h HIS 75 Cb 0.44 0.00 0.02 0.00 -0.00 0.00 0.00 27.41 27.88 1ug2 h HIS 75 CO 0.04 0.00 -1.59 -0.09 -0.00 0.00 0.00 177.93 176.29 1ug2 h ARG 76 N 0.00 0.46 -0.19 2.45 9.65 0.12 -2.80 114.38 124.07 1ug2 h ARG 76 Ca 0.03 -0.78 -0.04 0.00 -1.10 0.00 0.00 59.98 58.09 1ug2 h ARG 76 Cb 0.16 0.29 -0.01 0.00 -1.39 0.00 0.00 29.97 29.03 1ug2 h ARG 76 CO -0.00 1.37 -0.05 0.35 2.80 0.00 0.00 179.97 184.45 1ug2 h PHE 77 N 0.09 0.40 0.00 2.20 3.57 0.48 0.57 116.94 124.25 1ug2 h PHE 77 Ca -0.30 -0.09 -0.03 0.00 3.53 0.00 0.00 57.97 61.09 1ug2 h PHE 77 Cb 2.10 -0.10 -0.00 0.00 2.79 0.00 0.00 35.95 40.74 1ug2 h PHE 77 CO 0.12 0.62 -0.13 0.07 -2.23 0.00 0.00 178.31 176.76 1ug2 h ARG 78 N 0.07 0.00 0.09 1.11 -0.00 -0.24 -2.62 114.38 112.79 1ug2 h ARG 78 Ca 0.05 0.00 -0.14 0.00 -0.00 0.00 0.00 59.98 59.89 1ug2 h ARG 78 Cb 0.49 0.00 0.02 0.00 -0.00 0.00 0.00 29.97 30.47 1ug2 h ARG 78 CO 0.02 0.13 -0.59 0.93 -0.00 0.00 0.00 179.97 180.46 1ug2 h GLU 79 N 0.00 0.24 0.01 0.08 4.39 -1.20 -3.03 114.58 115.07 1ug2 h GLU 79 Ca -0.00 -0.38 0.03 0.00 0.34 0.00 0.00 59.36 59.35 1ug2 h GLU 79 Cb 0.47 0.14 -0.05 0.00 -0.10 0.00 0.00 28.75 29.20 1ug2 h GLU 79 CO 0.02 1.16 -0.35 -0.07 -1.16 0.00 0.00 179.01 178.61 1ug2 h LEU 80 N -0.48 -1.04 -0.70 1.33 3.38 -0.65 0.50 115.31 117.65 1ug2 h LEU 80 Ca -0.10 0.13 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1ug2 h LEU 80 Cb 1.43 0.41 0.00 0.00 0.09 0.00 0.00 40.66 42.60 1ug2 h LEU 80 CO 0.11 -0.41 0.00 0.23 0.09 0.00 0.00 178.44 178.46 1ug2 n MET 81 N -5.43 0.08 -0.07 1.13 2.81 -1.01 -2.33 117.12 112.30 1ug2 n MET 81 Ca -0.05 0.53 -0.10 0.00 -1.81 0.00 0.00 57.70 56.27 1ug2 n MET 81 Cb 0.34 -1.74 -0.06 0.00 -0.71 0.00 0.00 33.22 31.05 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 0.00 -0.36 0.03 4.15 -0.03 -3.14 115.11 115.76 1ug2 h GLN 82 Ca 0.00 0.00 0.04 0.00 0.77 0.00 0.00 58.65 59.46 1ug2 h GLN 82 Cb 0.06 0.00 -0.07 0.00 0.21 0.00 0.00 27.48 27.68 1ug2 h GLN 82 CO 0.00 0.47 -0.48 -0.07 -1.93 0.00 0.00 178.83 176.82 1ug2 h LEU 83 N -1.00 -1.61 -0.46 -2.39 3.38 -0.26 0.12 115.31 113.09 1ug2 h LEU 83 Ca -0.08 0.21 0.09 0.00 0.09 0.00 0.00 57.88 58.19 1ug2 h LEU 83 Cb 0.68 0.66 -0.10 0.00 0.09 0.00 0.00 40.66 41.99 1ug2 h LEU 83 CO -0.05 -0.35 -0.29 -0.26 0.09 0.00 0.00 178.44 177.58 1ug2 h PHE 84 N -0.34 -0.80 -0.14 1.13 0.04 -1.71 -2.09 116.94 113.04 1ug2 h PHE 84 Ca 0.06 0.06 0.02 0.00 2.80 0.00 0.00 57.97 60.91 1ug2 h PHE 84 Cb 0.51 0.42 -0.04 0.00 2.20 0.00 0.00 35.95 39.03 1ug2 h PHE 84 CO -0.71 -0.36 -0.34 0.45 -0.60 0.00 0.00 178.31 176.75 1ug2 h HIS 85 N -0.19 -1.02 -2.85 -0.55 3.86 -1.13 -3.41 115.15 109.85 1ug2 h HIS 85 Ca 0.20 0.04 -0.27 0.00 -1.16 0.00 0.00 60.37 59.18 1ug2 h HIS 85 Cb 0.52 0.46 -0.35 0.00 1.06 0.00 0.00 27.41 29.11 1ug2 h HIS 85 CO -0.54 -0.33 -0.59 0.99 0.86 0.00 0.00 177.93 178.32 1ug2 s THR 86 N -4.65 -0.34 0.03 2.45 2.01 0.27 -5.10 115.64 110.31 1ug2 s THR 86 Ca -0.09 0.20 0.02 0.00 0.31 0.00 0.00 61.69 62.13 1ug2 s THR 86 Cb 0.05 -0.45 -0.02 0.00 0.01 0.00 0.00 72.50 72.09 1ug2 s THR 86 CO 0.38 0.04 -0.07 0.00 -0.69 0.00 0.00 174.62 174.28 1ug2 s ALA 87 N 2.35 0.49 0.52 7.40 0.00 -0.95 -4.34 121.76 127.23 1ug2 s ALA 87 Ca 0.03 -0.62 -0.04 0.00 0.00 0.00 0.00 51.96 51.33 1ug2 s ALA 87 Cb -0.13 0.02 -0.01 0.00 0.00 0.00 0.00 23.12 23.00 1ug2 s ALA 87 CO -0.08 -0.01 0.81 0.00 0.00 0.00 0.00 175.76 176.48 1ug2 h GLU 89 N 0.09 -1.00 -6.34 0.00 4.22 -2.03 -3.43 114.58 106.08 1ug2 h GLU 89 Ca -0.46 0.07 -0.65 0.00 0.08 0.00 0.00 59.36 58.40 1ug2 h GLU 89 Cb 1.23 0.23 0.07 0.00 0.50 0.00 0.00 28.75 30.78 1ug2 h GLU 89 CO 0.61 -0.66 0.44 0.43 -2.18 0.00 0.00 179.01 177.64 1ug2 n SER 90 N -5.46 1.78 -0.78 1.04 7.64 -1.26 -4.94 113.62 111.64 1ug2 n SER 90 Ca -0.13 1.13 0.00 0.00 1.01 0.00 0.00 58.87 60.88 1ug2 n SER 90 Cb 0.41 -1.24 0.00 0.00 -1.01 0.00 0.00 64.21 62.37 1ug2 n SER 90 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ug2 n GLY 91 N 2.41 3.00 3.79 0.23 0.00 -1.26 -5.17 105.19 108.18 1ug2 n GLY 91 Ca 0.16 -1.20 -0.29 0.00 0.00 0.00 0.00 46.02 44.69 1ug2 n GLY 91 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ug2 s PRO 92 N -1.34 0.96 -0.18 1.61 0.04 -1.26 -5.09 135.00 129.74 1ug2 s PRO 92 Ca 0.00 0.21 -0.35 0.00 0.04 0.00 0.00 61.00 60.90 1ug2 s PRO 92 Cb 0.00 -1.82 0.14 0.00 0.04 0.00 0.00 34.50 32.86 1ug2 s PRO 92 CO 0.00 -2.31 1.28 0.45 0.04 0.00 0.00 177.00 176.47 1ug2 s SER 93 N -4.09 -0.08 -0.02 6.66 0.15 -1.26 -5.08 113.70 109.99 1ug2 s SER 93 Ca 0.65 -0.02 -0.00 0.00 0.70 0.00 0.00 55.95 57.27 1ug2 s SER 93 Cb -0.14 0.10 0.00 0.00 -1.71 0.00 0.00 66.02 64.28 1ug2 s SER 93 CO 0.53 -0.17 0.00 -1.54 1.20 0.00 0.00 173.24 173.26 1ug2 n SER 94 N -0.17 -6.68 0.00 5.45 3.41 -1.26 -5.18 113.62 109.19 1ug2 n SER 94 Ca -0.01 0.48 0.00 0.00 -0.26 0.00 0.00 58.87 59.09 1ug2 n SER 94 Cb 0.59 -1.76 0.00 0.00 -0.26 0.00 0.00 64.21 62.78 1ug2 n SER 94 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49