#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 4.49 0.05 1.61 0.04 -1.26 -4.97 135.00 134.96 1ug2 s PRO 2 Ca 0.00 1.69 -0.31 0.00 0.04 0.00 0.00 61.00 62.42 1ug2 s PRO 2 Cb 0.00 -2.98 -0.08 0.00 0.04 0.00 0.00 34.50 31.48 1ug2 s PRO 2 CO 0.00 0.11 1.62 -1.54 0.04 0.00 0.00 177.00 177.23 1ug2 s SER 3 N -1.13 6.64 0.00 6.66 1.04 -1.26 -3.12 113.70 122.54 1ug2 s SER 3 Ca 0.49 2.42 0.00 0.00 0.48 0.00 0.00 55.95 59.33 1ug2 s SER 3 Cb -0.28 -2.56 0.00 0.00 0.10 0.00 0.00 66.02 63.28 1ug2 s SER 3 CO 0.36 -0.86 0.00 0.61 0.98 0.00 0.00 173.24 174.33 1ug2 n GLY 4 N 3.95 2.50 1.85 7.32 0.00 -1.26 -4.91 105.19 114.63 1ug2 n GLY 4 Ca 0.16 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 45.65 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 3.13 -8.08 -1.32 1.61 2.88 -1.18 -4.94 113.62 105.72 1ug2 n SER 5 Ca 0.00 1.20 0.15 0.00 -1.33 0.00 0.00 58.87 58.89 1ug2 n SER 5 Cb 0.00 -4.53 -0.07 0.00 -0.75 0.00 0.00 64.21 58.86 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 1.59 -7.10 0.00 -3.46 7.64 -1.26 -5.02 113.62 106.01 1ug2 n SER 6 Ca 0.00 1.06 0.00 0.00 1.01 0.00 0.00 58.87 60.94 1ug2 n SER 6 Cb 0.00 -4.37 0.00 0.00 -1.01 0.00 0.00 64.21 58.83 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 -4.06 -1.99 3.52 0.23 0.00 -1.26 -4.92 105.19 96.71 1ug2 n GLY 7 Ca -0.06 0.59 -0.50 0.00 0.00 0.00 0.00 46.02 46.06 1ug2 n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ug2 n ALA 8 N -2.03 -1.80 0.00 4.61 0.00 -1.26 -4.22 120.51 115.81 1ug2 n ALA 8 Ca 0.00 0.47 0.00 0.00 0.00 0.00 0.00 53.44 53.91 1ug2 n ALA 8 Cb 0.00 -1.86 0.00 0.00 0.00 0.00 0.00 19.45 17.59 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 1.81 -1.89 0.27 0.00 0.00 -1.26 -4.73 105.19 99.39 1ug2 n GLY 9 Ca 0.16 -2.18 -0.08 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 h ALA 10 N 0.00 -0.52 -2.10 4.61 0.00 -2.05 -3.41 119.26 115.79 1ug2 h ALA 10 Ca 0.00 0.02 -0.55 0.00 0.00 0.00 0.00 54.91 54.39 1ug2 h ALA 10 Cb 0.00 1.05 0.22 0.00 0.00 0.00 0.00 17.79 19.06 1ug2 h ALA 10 CO 0.00 -0.71 -1.22 1.47 0.00 0.00 0.00 179.25 178.79 1ug2 n LEU 11 N -4.34 -3.17 -4.77 0.00 -0.00 -1.26 -4.57 117.00 98.90 1ug2 n LEU 11 Ca -0.01 0.29 -0.38 0.00 -0.00 0.00 0.00 56.01 55.90 1ug2 n LEU 11 Cb 0.19 -0.97 -0.04 0.00 -0.00 0.00 0.00 43.42 42.60 1ug2 n LEU 11 CO -0.03 -4.84 0.76 -2.16 -0.00 0.00 0.00 177.39 171.12 1ug2 s PRO 12 N -2.66 4.39 -0.45 1.47 0.04 -1.26 -4.62 135.00 131.90 1ug2 s PRO 12 Ca 0.49 1.64 0.07 0.00 0.04 0.00 0.00 61.00 63.24 1ug2 s PRO 12 Cb -0.22 -2.84 0.24 0.00 0.04 0.00 0.00 34.50 31.72 1ug2 s PRO 12 CO 0.74 0.03 0.74 1.63 0.04 0.00 0.00 177.00 180.18 1ug2 n LYS 13 N 0.52 0.73 -2.18 4.56 5.02 -1.26 -5.07 118.16 120.47 1ug2 n LYS 13 Ca 0.02 -2.31 0.00 0.00 -2.02 0.00 0.00 58.31 54.00 1ug2 n LYS 13 Cb 0.47 -1.38 0.00 0.00 -0.02 0.00 0.00 35.03 34.10 1ug2 n LYS 13 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1ug2 n ALA 14 N 1.65 -2.04 0.17 7.82 0.00 -1.26 -5.04 120.51 121.81 1ug2 n ALA 14 Ca 0.14 0.48 0.00 0.00 0.00 0.00 0.00 53.44 54.06 1ug2 n ALA 14 Cb 0.59 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.59 1ug2 n ALA 14 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1ug2 n SER 15 N 1.86 -3.09 -1.70 0.00 3.41 -1.26 -5.14 113.62 107.70 1ug2 n SER 15 Ca 0.00 0.68 0.00 0.00 -0.26 0.00 0.00 58.87 59.29 1ug2 n SER 15 Cb 0.00 3.00 0.00 0.00 -0.26 0.00 0.00 64.21 66.95 1ug2 n SER 15 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1ug2 n GLU 16 N -3.20 -4.45 -1.50 4.33 4.71 -1.26 -4.99 120.64 114.28 1ug2 n GLU 16 Ca 0.00 3.24 -0.30 0.00 -0.01 0.00 0.00 57.16 60.09 1ug2 n GLU 16 Cb 0.00 -3.42 0.19 0.00 -1.01 0.00 0.00 31.44 27.20 1ug2 n GLU 16 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1ug2 s ALA 17 N -0.78 1.49 0.11 0.62 0.00 -1.26 -5.09 121.76 116.84 1ug2 s ALA 17 Ca 0.00 -0.91 -0.01 0.00 0.00 0.00 0.00 51.96 51.04 1ug2 s ALA 17 Cb 0.00 -2.89 -0.04 0.00 0.00 0.00 0.00 23.12 20.19 1ug2 s ALA 17 CO 0.00 -2.83 0.03 -0.08 0.00 0.00 0.00 175.76 172.88 1ug2 s THR 18 N -3.38 0.20 0.06 0.00 -1.32 -1.26 -5.17 115.64 104.77 1ug2 s THR 18 Ca 0.70 -1.89 -0.07 0.00 -1.21 0.00 0.00 61.69 59.21 1ug2 s THR 18 Cb -0.09 -1.90 -0.01 0.00 -1.51 0.00 0.00 72.50 68.99 1ug2 s THR 18 CO 0.54 -0.62 0.15 0.54 -2.21 0.00 0.00 174.62 173.02 1ug2 s VAL 19 N -3.97 0.14 -0.31 5.08 0.11 -1.26 -5.12 120.40 115.07 1ug2 s VAL 19 Ca 0.19 -1.18 -0.09 0.00 -2.93 0.00 0.00 61.98 57.96 1ug2 s VAL 19 Cb 0.07 -1.20 0.19 0.00 -1.53 0.00 0.00 36.38 33.91 1ug2 s VAL 19 CO -0.01 -0.65 1.03 0.00 -3.33 0.00 0.00 175.10 172.13 1ug2 h ALA 21 N 6.40 -0.31 -3.58 0.00 0.00 -2.10 -3.50 119.26 116.18 1ug2 h ALA 21 Ca -0.06 -0.06 0.10 0.00 0.00 0.00 0.00 54.91 54.89 1ug2 h ALA 21 Cb 1.20 0.11 -0.06 0.00 0.00 0.00 0.00 17.79 19.05 1ug2 h ALA 21 CO -0.08 -0.29 -1.04 -1.71 0.00 0.00 0.00 179.25 176.14 1ug2 n ASN 22 N -4.64 -8.06 -3.52 0.00 5.15 -1.26 -5.06 115.26 97.87 1ug2 n ASN 22 Ca -0.03 1.71 -0.11 0.00 -0.60 0.00 0.00 54.58 55.55 1ug2 n ASN 22 Cb 0.11 -4.90 -0.03 0.00 -0.53 0.00 0.00 39.78 34.42 1ug2 n ASN 22 CO 0.00 0.00 0.00 0.21 1.40 0.00 0.00 177.26 178.87 1ug2 s ASN 23 N -5.89 -0.41 0.88 1.20 2.47 -1.26 -5.16 114.94 106.77 1ug2 s ASN 23 Ca 0.00 -0.14 -0.11 0.00 0.42 0.00 0.00 52.86 53.03 1ug2 s ASN 23 Cb 0.00 0.54 0.12 0.00 -1.45 0.00 0.00 41.25 40.46 1ug2 s ASN 23 CO 0.00 -0.91 1.16 -0.44 -3.72 0.00 0.00 177.10 173.19 1ug2 s SER 24 N -2.74 3.18 0.17 -4.21 0.01 -1.26 -5.04 113.70 103.81 1ug2 s SER 24 Ca 0.02 2.22 0.03 0.00 1.31 0.00 0.00 55.95 59.52 1ug2 s SER 24 Cb 0.00 -2.57 -0.05 0.00 0.21 0.00 0.00 66.02 63.62 1ug2 s SER 24 CO -0.12 -2.93 -0.02 -0.54 0.41 0.00 0.00 173.24 170.04 1ug2 s LYS 25 N -4.52 1.13 0.82 12.44 -0.14 -1.26 -5.14 119.74 123.08 1ug2 s LYS 25 Ca 0.68 -1.53 -0.14 0.00 -1.36 0.00 0.00 55.97 53.62 1ug2 s LYS 25 Cb -0.24 -0.38 0.05 0.00 -1.68 0.00 0.00 37.83 35.58 1ug2 s LYS 25 CO 0.56 -0.09 0.90 1.33 -0.76 0.00 0.00 175.35 177.29 1ug2 n VAL 26 N -0.26 1.47 -3.67 3.17 0.24 -1.26 -5.02 118.33 113.00 1ug2 n VAL 26 Ca -0.07 -0.23 -0.16 0.00 -2.04 0.00 0.00 64.34 61.84 1ug2 n VAL 26 Cb 0.63 -0.97 -0.15 0.00 -1.47 0.00 0.00 33.84 31.87 1ug2 n VAL 26 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 1ug2 s SER 27 N -1.99 0.63 -0.29 -1.34 0.01 -1.26 -5.13 113.70 104.34 1ug2 s SER 27 Ca 0.68 0.38 -0.17 0.00 1.31 0.00 0.00 55.95 58.15 1ug2 s SER 27 Cb -0.29 0.35 0.12 0.00 0.21 0.00 0.00 66.02 66.42 1ug2 s SER 27 CO 0.56 -0.24 0.91 -0.94 0.41 0.00 0.00 173.24 173.94 1ug2 s SER 28 N 2.25 -0.61 0.52 2.44 1.04 -1.26 -5.16 113.70 112.92 1ug2 s SER 28 Ca 0.02 1.01 -0.18 0.00 0.48 0.00 0.00 55.95 57.28 1ug2 s SER 28 Cb -0.12 1.22 -0.07 0.00 0.10 0.00 0.00 66.02 67.15 1ug2 s SER 28 CO -0.06 -0.16 1.03 0.42 0.98 0.00 0.00 173.24 175.45 1ug2 s THR 29 N 1.24 3.96 0.00 2.02 -4.23 -1.26 -4.95 115.64 112.42 1ug2 s THR 29 Ca -0.07 1.07 0.00 0.00 -1.18 0.00 0.00 61.69 61.51 1ug2 s THR 29 Cb -0.04 -3.48 0.00 0.00 1.34 0.00 0.00 72.50 70.32 1ug2 s THR 29 CO -0.15 -0.41 0.00 0.61 -0.54 0.00 0.00 174.62 174.14 1ug2 n GLY 30 N -0.74 -0.60 3.73 3.99 0.00 -1.26 -5.15 105.19 105.16 1ug2 n GLY 30 Ca 0.08 0.30 -0.08 0.00 0.00 0.00 0.00 46.02 46.32 1ug2 n GLY 30 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ug2 s GLU 31 N 0.00 1.64 -0.22 1.61 0.41 -1.26 -4.83 118.70 116.06 1ug2 s GLU 31 Ca 0.00 -0.93 -0.09 0.00 -0.41 0.00 0.00 54.97 53.53 1ug2 s GLU 31 Cb 0.00 0.58 -0.05 0.00 -1.78 0.00 0.00 34.13 32.88 1ug2 s GLU 31 CO 0.00 -0.73 0.12 0.15 -0.49 0.00 0.00 175.26 174.31 1ug2 s LYS 32 N -3.90 4.05 -0.26 1.61 1.02 -1.26 -4.68 119.74 116.31 1ug2 s LYS 32 Ca 0.11 -0.29 -0.04 0.00 0.02 0.00 0.00 55.97 55.77 1ug2 s LYS 32 Cb -0.04 -3.41 0.09 0.00 -0.52 0.00 0.00 37.83 33.95 1ug2 s LYS 32 CO 0.03 0.16 0.13 0.54 -0.92 0.00 0.00 175.35 175.30 1ug2 s VAL 33 N 0.73 -0.10 -0.34 3.17 0.11 -1.26 -4.99 120.40 117.71 1ug2 s VAL 33 Ca 0.06 -0.60 0.15 0.00 -2.93 0.00 0.00 61.98 58.66 1ug2 s VAL 33 Cb -0.13 -0.89 0.43 0.00 -1.53 0.00 0.00 36.38 34.27 1ug2 s VAL 33 CO 0.02 -0.61 0.99 0.55 -3.33 0.00 0.00 175.10 172.71 1ug2 n VAL 34 N 5.26 0.64 0.00 2.04 3.14 -1.26 -4.94 118.33 123.21 1ug2 n VAL 34 Ca -0.06 -2.99 0.00 0.00 -2.96 0.00 0.00 64.34 58.33 1ug2 n VAL 34 Cb 0.44 0.61 0.00 0.00 -1.06 0.00 0.00 33.84 33.83 1ug2 n VAL 34 CO 0.00 0.00 0.00 -0.11 -6.46 0.00 0.00 176.83 170.26 1ug2 n LEU 35 N -0.08 0.00 -4.84 6.55 -0.00 -1.26 -5.13 117.00 112.24 1ug2 n LEU 35 Ca 0.09 0.00 -0.32 0.00 -0.00 0.00 0.00 56.01 55.78 1ug2 n LEU 35 Cb 0.80 0.24 -0.06 0.00 -0.00 0.00 0.00 43.42 44.40 1ug2 n LEU 35 CO 0.20 -0.24 0.55 0.26 -0.00 0.00 0.00 177.39 178.17 1ug2 s TRP 36 N -0.86 3.36 0.61 1.96 0.52 -1.26 -5.07 118.94 118.19 1ug2 s TRP 36 Ca 0.00 1.40 0.05 0.00 0.02 0.00 0.00 56.10 57.57 1ug2 s TRP 36 Cb 0.00 -2.70 0.09 0.00 -1.15 0.00 0.00 33.47 29.71 1ug2 s TRP 36 CO 0.00 -0.07 0.83 -0.08 0.02 0.00 0.00 176.95 177.65 1ug2 s THR 37 N -2.19 2.29 -0.06 2.01 -1.32 -1.26 -4.98 115.64 110.14 1ug2 s THR 37 Ca 0.58 -0.83 -0.17 0.00 -1.21 0.00 0.00 61.69 60.07 1ug2 s THR 37 Cb -0.10 -2.47 -0.12 0.00 -1.51 0.00 0.00 72.50 68.31 1ug2 s THR 37 CO 0.19 0.00 0.66 -0.09 -2.21 0.00 0.00 174.62 173.17 1ug2 h ARG 38 N -0.03 -0.26 -0.80 7.08 2.43 -1.97 -2.21 114.38 118.62 1ug2 h ARG 38 Ca -0.34 0.02 0.07 0.00 -0.81 0.00 0.00 59.98 58.92 1ug2 h ARG 38 Cb 1.28 0.06 -0.10 0.00 -0.42 0.00 0.00 29.97 30.79 1ug2 h ARG 38 CO 0.42 0.07 -0.47 -1.91 -1.51 0.00 0.00 179.97 176.56 1ug2 n GLU 39 N -4.95 -0.35 0.29 0.20 2.13 -1.26 0.19 120.64 116.89 1ug2 n GLU 39 Ca -0.06 1.33 -0.17 0.00 0.66 0.00 0.00 57.16 58.92 1ug2 n GLU 39 Cb 0.22 -1.96 -0.09 0.00 0.27 0.00 0.00 31.44 29.88 1ug2 n GLU 39 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1ug2 h ALA 40 N 0.28 -0.96 -1.13 4.31 0.00 -1.99 1.04 119.26 120.82 1ug2 h ALA 40 Ca 0.13 -0.16 0.33 0.00 0.00 0.00 0.00 54.91 55.21 1ug2 h ALA 40 Cb 0.33 0.58 -0.11 0.00 0.00 0.00 0.00 17.79 18.59 1ug2 h ALA 40 CO -0.75 -1.07 0.72 0.22 0.00 0.00 0.00 179.25 178.36 1ug2 h ASP 41 N -0.90 0.39 0.14 0.00 1.82 -0.25 0.37 116.42 117.99 1ug2 h ASP 41 Ca -0.05 0.12 -0.01 0.00 -0.39 0.00 0.00 57.03 56.70 1ug2 h ASP 41 Cb 0.78 0.07 0.00 0.00 0.68 0.00 0.00 39.33 40.86 1ug2 h ASP 41 CO -0.03 -0.04 -0.07 0.03 -1.61 0.00 0.00 179.24 177.53 1ug2 h ARG 42 N 0.28 -0.18 -0.75 0.28 3.08 0.36 -3.18 114.38 114.26 1ug2 h ARG 42 Ca 0.70 0.01 0.16 0.00 0.07 0.00 0.00 59.98 60.92 1ug2 h ARG 42 Cb 1.90 0.04 -0.14 0.00 0.08 0.00 0.00 29.97 31.85 1ug2 h ARG 42 CO -0.39 0.20 -0.13 0.28 -1.07 0.00 0.00 179.97 178.86 1ug2 h VAL 43 N -0.95 0.27 -0.39 2.04 2.07 0.31 0.78 116.25 120.38 1ug2 h VAL 43 Ca -0.02 -0.01 0.05 0.00 0.82 0.00 0.00 66.70 67.54 1ug2 h VAL 43 Cb 0.46 0.24 -0.08 0.00 -1.52 0.00 0.00 31.29 30.39 1ug2 h VAL 43 CO 0.03 0.00 -0.55 0.40 0.02 0.00 0.00 177.57 177.48 1ug2 h ILE 44 N 0.02 0.01 0.38 4.57 2.04 -0.45 1.23 117.51 125.31 1ug2 h ILE 44 Ca 0.38 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 66.22 1ug2 h ILE 44 Cb 0.61 0.01 0.00 0.00 -0.74 0.00 0.00 36.82 36.70 1ug2 h ILE 44 CO -0.75 0.00 -0.19 -0.07 0.00 0.00 0.00 178.15 177.15 1ug2 h LEU 45 N -0.40 -0.44 -0.45 1.44 3.38 -0.84 1.43 115.31 119.43 1ug2 h LEU 45 Ca 0.08 0.02 0.05 0.00 0.09 0.00 0.00 57.88 58.12 1ug2 h LEU 45 Cb 0.60 0.12 -0.09 0.00 0.09 0.00 0.00 40.66 41.38 1ug2 h LEU 45 CO -0.59 -0.31 -0.55 0.74 0.09 0.00 0.00 178.44 177.82 1ug2 h THR 46 N -0.51 0.01 -0.34 0.22 2.02 0.15 1.46 112.91 115.91 1ug2 h THR 46 Ca -0.05 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.09 1ug2 h THR 46 Cb 0.40 0.01 -0.01 0.00 -1.74 0.00 0.00 68.15 66.80 1ug2 h THR 46 CO 0.08 0.00 0.05 0.24 0.37 0.00 0.00 175.52 176.26 1ug2 h MET 47 N -0.37 0.58 0.00 6.66 2.86 0.16 0.19 114.93 125.01 1ug2 h MET 47 Ca 0.08 -0.16 0.00 0.00 -2.06 0.00 0.00 59.70 57.57 1ug2 h MET 47 Cb 0.59 -0.07 0.00 0.00 0.06 0.00 0.00 31.60 32.18 1ug2 h MET 47 CO -0.62 0.66 0.00 0.00 1.06 0.00 0.00 176.91 178.01 1ug2 n GLN 49 N -2.62 0.29 0.51 0.00 -0.06 0.49 0.17 117.38 116.16 1ug2 n GLN 49 Ca -0.02 0.42 -0.21 0.00 -2.00 0.00 0.00 57.00 55.19 1ug2 n GLN 49 Cb 0.06 -1.34 -0.10 0.00 -4.06 0.00 0.00 30.24 24.80 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 -0.64 -1.28 -0.06 3.69 4.81 -0.47 -3.12 114.58 117.52 1ug2 h GLU 50 Ca 0.00 0.09 -0.18 0.00 -0.13 0.00 0.00 59.36 59.14 1ug2 h GLU 50 Cb 0.33 0.29 -0.01 0.00 0.63 0.00 0.00 28.75 30.00 1ug2 h GLU 50 CO 0.00 -0.85 -0.72 1.96 -0.73 0.00 0.00 179.01 178.67 1ug2 h GLN 51 N -1.32 0.34 0.00 1.92 4.20 -0.21 -3.50 115.11 116.54 1ug2 h GLN 51 Ca -0.13 -0.28 0.00 0.00 0.06 0.00 0.00 58.65 58.30 1ug2 h GLN 51 Cb 1.02 0.06 0.00 0.00 0.30 0.00 0.00 27.48 28.86 1ug2 h GLN 51 CO 0.20 0.93 0.00 0.41 -0.67 0.00 0.00 178.83 179.70 1ug2 n GLY 52 N 0.54 2.97 2.77 3.46 0.00 -0.13 -4.84 105.19 109.95 1ug2 n GLY 52 Ca -0.04 -1.74 -0.40 0.00 0.00 0.00 0.00 46.02 43.84 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 0.08 5.08 -2.53 4.61 0.00 0.45 -4.15 120.51 124.04 1ug2 n ALA 53 Ca 0.00 -3.45 -0.25 0.00 0.00 0.00 0.00 53.44 49.74 1ug2 n ALA 53 Cb 0.00 -3.49 -0.09 0.00 0.00 0.00 0.00 19.45 15.87 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 3.61 2.04 0.02 0.00 -2.07 -1.26 -5.06 119.66 116.94 1ug2 s GLN 54 Ca 0.53 -1.87 -0.19 0.00 -1.82 0.00 0.00 55.36 52.01 1ug2 s GLN 54 Cb 0.14 -1.85 -0.22 0.00 -1.09 0.00 0.00 33.01 30.00 1ug2 s GLN 54 CO -0.02 0.05 1.14 -1.00 -1.32 0.00 0.00 175.29 174.15 1ug2 h PRO 55 N 1.76 0.44 0.00 9.60 0.13 -1.96 -2.96 132.00 139.02 1ug2 h PRO 55 Ca -0.43 -0.43 0.00 0.00 -0.87 0.00 0.00 66.00 64.27 1ug2 h PRO 55 Cb 1.25 0.11 0.00 0.00 0.13 0.00 0.00 31.00 32.49 1ug2 h PRO 55 CO 0.71 1.08 0.24 1.25 -0.23 0.00 0.00 178.00 181.05 1ug2 h HIS 56 N -0.04 0.00 0.09 1.56 2.76 -1.97 0.74 115.15 118.30 1ug2 h HIS 56 Ca -0.06 0.00 -0.21 0.00 -2.20 0.00 0.00 60.37 57.90 1ug2 h HIS 56 Cb 1.25 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.21 1ug2 h HIS 56 CO 0.14 0.00 -1.04 1.15 -1.30 0.00 0.00 177.93 176.87 1ug2 h THR 57 N 0.00 1.25 -0.74 6.26 2.02 -1.85 -3.31 112.91 116.54 1ug2 h THR 57 Ca 0.00 -2.41 0.22 0.00 0.77 0.00 0.00 66.41 64.99 1ug2 h THR 57 Cb 0.48 2.88 -0.03 0.00 -1.74 0.00 0.00 68.15 69.75 1ug2 h THR 57 CO 0.00 0.65 0.75 -0.26 0.37 0.00 0.00 175.52 177.03 1ug2 h PHE 58 N -0.49 0.00 0.00 3.16 0.04 -0.69 1.55 116.94 120.51 1ug2 h PHE 58 Ca -0.22 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.55 1ug2 h PHE 58 Cb 1.58 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.73 1ug2 h PHE 58 CO 0.16 0.00 0.00 0.66 -0.60 0.00 0.00 178.31 178.53 1ug2 h SER 59 N 0.00 0.00 0.00 2.17 4.64 -1.61 0.29 113.55 119.04 1ug2 h SER 59 Ca 0.35 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.58 1ug2 h SER 59 Cb 1.85 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.92 1ug2 h SER 59 CO -0.00 0.00 -0.93 0.52 -0.87 0.00 0.00 176.83 175.55 1ug2 n VAL 60 N -3.02 1.47 -0.16 0.95 0.31 0.53 -3.92 118.33 114.49 1ug2 n VAL 60 Ca -0.01 0.10 -0.02 0.00 -0.01 0.00 0.00 64.34 64.39 1ug2 n VAL 60 Cb 0.16 -2.26 0.07 0.00 -0.91 0.00 0.00 33.84 30.89 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 0.68 -1.01 2.52 2.04 -1.38 0.34 117.51 119.70 1ug2 h ILE 61 Ca -0.14 -0.07 0.26 0.00 1.00 0.00 0.00 64.86 65.91 1ug2 h ILE 61 Cb 0.86 0.47 -0.13 0.00 -0.74 0.00 0.00 36.82 37.29 1ug2 h ILE 61 CO -0.09 0.04 0.60 0.77 0.00 0.00 0.00 178.15 179.47 1ug2 h SER 62 N 0.19 0.64 0.07 1.72 4.64 -0.63 0.92 113.55 121.10 1ug2 h SER 62 Ca 0.25 0.14 -0.23 0.00 -0.47 0.00 0.00 61.79 61.48 1ug2 h SER 62 Cb 0.36 0.04 0.02 0.00 -0.31 0.00 0.00 62.40 62.52 1ug2 h SER 62 CO -0.36 0.07 -0.95 1.56 -0.87 0.00 0.00 176.83 176.28 1ug2 h GLN 63 N 0.54 0.52 -0.78 4.77 4.20 -0.86 -3.11 115.11 120.40 1ug2 h GLN 63 Ca 0.65 -0.65 0.02 0.00 0.06 0.00 0.00 58.65 58.73 1ug2 h GLN 63 Cb 1.31 0.21 -0.04 0.00 0.30 0.00 0.00 27.48 29.25 1ug2 h GLN 63 CO -0.48 1.27 0.51 1.96 -0.67 0.00 0.00 178.83 181.41 1ug2 h GLN 64 N 0.08 0.99 -0.28 1.46 4.20 0.26 -2.49 115.11 119.33 1ug2 h GLN 64 Ca -0.14 -0.06 0.07 0.00 0.06 0.00 0.00 58.65 58.58 1ug2 h GLN 64 Cb 1.65 -0.22 -0.07 0.00 0.30 0.00 0.00 27.48 29.14 1ug2 h GLN 64 CO 0.18 0.65 -0.23 -0.07 -0.67 0.00 0.00 178.83 178.70 1ug2 h LEU 65 N 1.02 -0.74 0.00 1.46 3.38 0.64 -3.47 115.31 117.59 1ug2 h LEU 65 Ca 0.29 0.14 0.00 0.00 0.09 0.00 0.00 57.88 58.41 1ug2 h LEU 65 Cb -0.07 0.36 0.00 0.00 0.09 0.00 0.00 40.66 41.04 1ug2 h LEU 65 CO -0.08 -0.26 0.00 0.61 0.09 0.00 0.00 178.44 178.80 1ug2 n GLY 66 N -1.37 2.78 0.31 0.83 0.00 -0.94 -4.80 105.19 102.00 1ug2 n GLY 66 Ca -0.00 -0.49 0.04 0.00 0.00 0.00 0.00 46.02 45.57 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 0.92 -4.84 1.61 0.23 -1.26 -4.90 115.26 107.02 1ug2 n ASN 67 Ca 0.00 -2.38 -0.34 0.00 -0.53 0.00 0.00 54.58 51.33 1ug2 n ASN 67 Cb 0.00 -0.28 -0.06 0.00 -2.08 0.00 0.00 39.78 37.36 1ug2 n ASN 67 CO 0.00 0.00 0.00 -0.75 -0.93 0.00 0.00 177.26 175.58 1ug2 s LYS 68 N -1.10 4.08 0.39 -3.83 2.47 -1.18 -5.08 119.74 115.50 1ug2 s LYS 68 Ca 0.12 0.69 0.02 0.00 -1.56 0.00 0.00 55.97 55.24 1ug2 s LYS 68 Cb 0.10 -2.69 -0.01 0.00 -1.46 0.00 0.00 37.83 33.77 1ug2 s LYS 68 CO 0.01 0.31 0.59 0.95 0.16 0.00 0.00 175.35 177.36 1ug2 s THR 69 N -1.72 4.33 -0.45 3.43 -4.23 -1.26 -4.20 115.64 111.55 1ug2 s THR 69 Ca 0.47 -0.61 0.26 0.00 -1.18 0.00 0.00 61.69 60.63 1ug2 s THR 69 Cb -0.13 -3.57 0.30 0.00 1.34 0.00 0.00 72.50 70.43 1ug2 s THR 69 CO 0.19 -0.35 1.77 1.55 -0.54 0.00 0.00 174.62 177.24 1ug2 h PRO 70 N 0.62 0.00 0.00 3.99 0.13 -1.91 -2.25 132.00 132.58 1ug2 h PRO 70 Ca -0.47 0.00 -0.25 0.00 -0.87 0.00 0.00 66.00 64.41 1ug2 h PRO 70 Cb 1.24 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.33 1ug2 h PRO 70 CO 0.57 0.00 -1.39 -0.24 -0.23 0.00 0.00 178.00 176.71 1ug2 h VAL 71 N 0.00 1.14 -0.01 1.56 3.04 -1.94 -3.30 116.25 116.73 1ug2 h VAL 71 Ca 0.00 -2.90 -0.15 0.00 -1.01 0.00 0.00 66.70 62.64 1ug2 h VAL 71 Cb 0.62 2.55 0.01 0.00 -2.01 0.00 0.00 31.29 32.46 1ug2 h VAL 71 CO 0.00 0.65 -0.59 -0.33 -1.01 0.00 0.00 177.57 176.28 1ug2 h GLU 72 N 0.00 0.42 -0.91 4.17 4.39 -1.90 -2.80 114.58 117.96 1ug2 h GLU 72 Ca -0.17 -0.44 0.20 0.00 0.34 0.00 0.00 59.36 59.30 1ug2 h GLU 72 Cb 1.88 0.12 -0.07 0.00 -0.10 0.00 0.00 28.75 30.58 1ug2 h GLU 72 CO 0.09 1.10 0.60 0.28 -1.16 0.00 0.00 179.01 179.92 1ug2 h VAL 73 N -0.08 0.67 0.06 3.13 2.07 -1.54 0.23 116.25 120.79 1ug2 h VAL 73 Ca -0.07 -0.14 -0.00 0.00 0.82 0.00 0.00 66.70 67.31 1ug2 h VAL 73 Cb 1.30 0.23 0.00 0.00 -1.52 0.00 0.00 31.29 31.30 1ug2 h VAL 73 CO 0.12 0.07 -0.03 -1.28 0.02 0.00 0.00 177.57 176.47 1ug2 h SER 74 N 0.41 -0.07 -0.42 0.57 0.87 -1.62 0.01 113.55 113.30 1ug2 h SER 74 Ca 0.47 -0.45 0.12 0.00 -1.23 0.00 0.00 61.79 60.70 1ug2 h SER 74 Cb 1.18 0.02 -0.02 0.00 -0.44 0.00 0.00 62.40 63.13 1ug2 h SER 74 CO -0.18 0.44 0.30 0.45 -0.53 0.00 0.00 176.83 177.31 1ug2 h HIS 75 N -0.59 0.04 0.11 2.24 -0.00 -0.77 0.45 115.15 116.63 1ug2 h HIS 75 Ca -0.01 0.00 -0.29 0.00 -0.00 0.00 0.00 60.37 60.08 1ug2 h HIS 75 Cb 0.51 -0.01 0.02 0.00 -0.00 0.00 0.00 27.41 27.93 1ug2 h HIS 75 CO 0.09 0.02 -1.21 -0.09 -0.00 0.00 0.00 177.93 176.74 1ug2 h ARG 76 N 0.03 0.55 0.02 2.45 9.65 -0.49 -2.65 114.38 123.94 1ug2 h ARG 76 Ca 0.20 -0.73 -0.00 0.00 -1.10 0.00 0.00 59.98 58.34 1ug2 h ARG 76 Cb 0.75 0.24 0.00 0.00 -1.39 0.00 0.00 29.97 29.58 1ug2 h ARG 76 CO -0.01 1.32 -0.01 0.35 2.80 0.00 0.00 179.97 184.42 1ug2 h PHE 77 N 0.24 -0.03 0.00 2.20 3.57 0.11 -0.30 116.94 122.73 1ug2 h PHE 77 Ca -0.17 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.32 1ug2 h PHE 77 Cb 1.88 0.01 -0.00 0.00 2.79 0.00 0.00 35.95 40.63 1ug2 h PHE 77 CO 0.10 0.40 -0.04 0.07 -2.23 0.00 0.00 178.31 176.61 1ug2 h ARG 78 N -0.46 0.00 0.01 1.11 -0.00 -0.33 -1.83 114.38 112.88 1ug2 h ARG 78 Ca -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 59.98 59.98 1ug2 h ARG 78 Cb 0.44 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.41 1ug2 h ARG 78 CO 0.00 0.04 -0.00 0.93 -0.00 0.00 0.00 179.97 180.94 1ug2 h GLU 79 N 0.00 -0.01 -0.07 0.08 4.39 -1.26 -2.88 114.58 114.83 1ug2 h GLU 79 Ca -0.00 0.00 0.04 0.00 0.34 0.00 0.00 59.36 59.74 1ug2 h GLU 79 Cb 0.12 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 28.71 1ug2 h GLU 79 CO 0.01 0.85 -0.36 -0.07 -1.16 0.00 0.00 179.01 178.28 1ug2 h LEU 80 N -0.91 -1.10 -0.70 1.33 3.38 -0.60 0.57 115.31 117.28 1ug2 h LEU 80 Ca -0.00 0.15 0.00 0.00 0.09 0.00 0.00 57.88 58.12 1ug2 h LEU 80 Cb 0.86 0.45 0.00 0.00 0.09 0.00 0.00 40.66 42.06 1ug2 h LEU 80 CO 0.00 -0.40 0.00 0.23 0.09 0.00 0.00 178.44 178.36 1ug2 n MET 81 N -5.42 0.08 0.02 1.13 2.81 -0.73 -2.37 117.12 112.63 1ug2 n MET 81 Ca -0.04 0.53 -0.05 0.00 -1.81 0.00 0.00 57.70 56.33 1ug2 n MET 81 Cb 0.34 -1.74 -0.04 0.00 -0.71 0.00 0.00 33.22 31.08 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 -0.16 -0.48 0.03 5.75 0.34 -2.60 115.11 117.98 1ug2 h GLN 82 Ca 0.00 0.01 0.05 0.00 -0.15 0.00 0.00 58.65 58.56 1ug2 h GLN 82 Cb 0.06 0.04 -0.07 0.00 1.07 0.00 0.00 27.48 28.57 1ug2 h GLN 82 CO 0.00 0.06 -0.42 -0.07 -2.65 0.00 0.00 178.83 175.75 1ug2 h LEU 83 N -1.01 -1.48 -0.27 -2.39 3.38 -0.93 1.01 115.31 113.62 1ug2 h LEU 83 Ca -0.02 0.21 0.06 0.00 0.09 0.00 0.00 57.88 58.22 1ug2 h LEU 83 Cb 0.30 0.63 -0.08 0.00 0.09 0.00 0.00 40.66 41.59 1ug2 h LEU 83 CO 0.03 -0.25 -0.36 -0.26 0.09 0.00 0.00 178.44 177.69 1ug2 h PHE 84 N -0.18 -1.02 0.15 1.13 0.04 -1.70 0.78 116.94 116.14 1ug2 h PHE 84 Ca 0.08 0.05 0.01 0.00 2.80 0.00 0.00 57.97 60.91 1ug2 h PHE 84 Cb 0.39 0.49 -0.03 0.00 2.20 0.00 0.00 35.95 38.99 1ug2 h PHE 84 CO -0.82 -0.42 -0.42 0.45 -0.60 0.00 0.00 178.31 176.50 1ug2 h HIS 85 N -0.36 -1.20 -3.44 -0.55 3.86 -0.74 -3.29 115.15 109.43 1ug2 h HIS 85 Ca 0.12 0.03 -0.70 0.00 -1.16 0.00 0.00 60.37 58.66 1ug2 h HIS 85 Cb 0.57 0.50 -0.35 0.00 1.06 0.00 0.00 27.41 29.19 1ug2 h HIS 85 CO -0.51 -0.48 -0.22 0.99 0.86 0.00 0.00 177.93 178.57 1ug2 s THR 86 N -5.19 4.07 0.06 2.45 2.01 0.34 -4.93 115.64 114.44 1ug2 s THR 86 Ca -0.13 -3.43 -0.29 0.00 0.31 0.00 0.00 61.69 58.14 1ug2 s THR 86 Cb 0.04 -3.58 -0.15 0.00 0.01 0.00 0.00 72.50 68.83 1ug2 s THR 86 CO 0.48 -0.99 1.45 0.00 -0.69 0.00 0.00 174.62 174.86 1ug2 h ALA 87 N 6.50 -1.15 0.00 7.40 0.00 -0.94 -3.40 119.26 127.67 1ug2 h ALA 87 Ca 0.08 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1ug2 h ALA 87 Cb 0.88 0.56 0.00 0.00 0.00 0.00 0.00 17.79 19.24 1ug2 h ALA 87 CO 0.78 -1.14 0.00 0.00 0.00 0.00 0.00 179.25 178.89 1ug2 n GLU 89 N 0.00 -5.27 0.06 0.00 1.02 -1.26 -5.04 120.64 110.14 1ug2 n GLU 89 Ca 0.00 3.78 0.00 0.00 -0.02 0.00 0.00 57.16 60.92 1ug2 n GLU 89 Cb 0.00 -4.32 0.00 0.00 -0.02 0.00 0.00 31.44 27.10 1ug2 n GLU 89 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 1ug2 n SER 90 N 1.82 0.68 -2.67 1.62 7.64 -1.26 -5.05 113.62 116.40 1ug2 n SER 90 Ca 0.00 0.19 -0.04 0.00 1.01 0.00 0.00 58.87 60.03 1ug2 n SER 90 Cb 0.00 -0.14 0.05 0.00 -1.01 0.00 0.00 64.21 63.12 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 2.98 -1.76 3.65 0.23 0.00 -1.26 -5.13 105.19 103.89 1ug2 n GLY 91 Ca 0.00 1.19 -0.43 0.00 0.00 0.00 0.00 46.02 46.78 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 0.59 4.08 -0.15 1.61 0.04 -1.26 -4.25 135.00 135.65 1ug2 s PRO 92 Ca 0.24 1.50 -0.01 0.00 0.04 0.00 0.00 61.00 62.78 1ug2 s PRO 92 Cb 0.17 -3.83 0.00 0.00 0.04 0.00 0.00 34.50 30.88 1ug2 s PRO 92 CO -0.10 -0.91 0.03 0.45 0.04 0.00 0.00 177.00 176.51 1ug2 n SER 93 N 7.15 -7.18 -3.88 6.66 2.88 -1.26 -4.83 113.62 113.15 1ug2 n SER 93 Ca 0.15 0.82 -0.16 0.00 -1.33 0.00 0.00 58.87 58.34 1ug2 n SER 93 Cb 0.46 -3.21 -0.15 0.00 -0.75 0.00 0.00 64.21 60.56 1ug2 n SER 93 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1ug2 s SER 94 N -1.30 0.51 0.00 -3.46 1.04 -1.26 -5.10 113.70 104.12 1ug2 s SER 94 Ca 0.01 -0.06 0.00 0.00 0.48 0.00 0.00 55.95 56.38 1ug2 s SER 94 Cb -0.00 -0.17 0.00 0.00 0.10 0.00 0.00 66.02 65.94 1ug2 s SER 94 CO 0.36 -0.02 0.00 0.61 0.98 0.00 0.00 173.24 175.17