#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 -2.08 -4.11 1.61 -0.04 -1.26 -5.10 135.00 124.02 1ug2 n PRO 2 Ca 0.00 -1.76 -0.11 0.00 -0.04 0.00 0.00 63.50 61.59 1ug2 n PRO 2 Cb 0.00 -1.39 -0.08 0.00 -0.04 0.00 0.00 33.50 31.99 1ug2 n PRO 2 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1ug2 s SER 3 N -4.87 0.09 0.14 3.54 0.01 -1.26 -5.18 113.70 106.17 1ug2 s SER 3 Ca 0.68 -1.17 0.01 0.00 1.31 0.00 0.00 55.95 56.77 1ug2 s SER 3 Cb -0.04 0.43 0.01 0.00 0.21 0.00 0.00 66.02 66.62 1ug2 s SER 3 CO 0.50 -0.91 0.06 0.61 0.41 0.00 0.00 173.24 173.91 1ug2 n GLY 4 N -0.27 3.45 3.20 3.44 0.00 -1.26 -5.15 105.19 108.61 1ug2 n GLY 4 Ca -0.01 -2.22 0.04 0.00 0.00 0.00 0.00 46.02 43.82 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 -1.77 -1.30 0.52 1.61 0.15 -1.26 -5.17 113.70 106.48 1ug2 s SER 5 Ca 0.04 0.91 0.05 0.00 0.70 0.00 0.00 55.95 57.65 1ug2 s SER 5 Cb -0.00 2.13 0.04 0.00 -1.71 0.00 0.00 66.02 66.48 1ug2 s SER 5 CO 0.03 -0.24 0.72 -0.94 1.20 0.00 0.00 173.24 174.01 1ug2 s SER 6 N 2.87 5.30 0.00 5.45 1.04 -1.26 -5.13 113.70 121.97 1ug2 s SER 6 Ca 0.17 -0.30 0.00 0.00 0.48 0.00 0.00 55.95 56.30 1ug2 s SER 6 Cb -0.14 -0.57 0.00 0.00 0.10 0.00 0.00 66.02 65.41 1ug2 s SER 6 CO -0.20 -1.10 0.00 0.61 0.98 0.00 0.00 173.24 173.53 1ug2 n GLY 7 N -2.20 5.52 3.32 7.32 0.00 -1.26 -5.19 105.19 112.71 1ug2 n GLY 7 Ca 0.10 -1.56 -0.11 0.00 0.00 0.00 0.00 46.02 44.45 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 0.75 0.00 4.61 0.00 -1.26 -5.18 121.76 118.68 1ug2 s ALA 8 Ca 0.00 -1.45 0.00 0.00 0.00 0.00 0.00 51.96 50.51 1ug2 s ALA 8 Cb 0.00 1.29 0.00 0.00 0.00 0.00 0.00 23.12 24.41 1ug2 s ALA 8 CO 0.00 -0.67 0.00 0.41 0.00 0.00 0.00 175.76 175.50 1ug2 n GLY 9 N -0.31 2.17 3.84 0.00 0.00 -1.26 -5.15 105.19 104.48 1ug2 n GLY 9 Ca 0.01 -2.10 -0.06 0.00 0.00 0.00 0.00 46.02 43.87 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 -1.30 0.44 4.61 0.00 -1.26 -5.15 121.76 117.10 1ug2 s ALA 10 Ca 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 51.96 51.72 1ug2 s ALA 10 Cb 0.00 0.80 0.00 0.00 0.00 0.00 0.00 23.12 23.92 1ug2 s ALA 10 CO 0.00 -1.04 0.00 1.28 0.00 0.00 0.00 175.76 176.00 1ug2 n LEU 11 N -0.47 -0.74 -4.77 0.00 4.32 -1.26 -4.94 117.00 109.14 1ug2 n LEU 11 Ca -0.04 1.71 -0.38 0.00 -0.02 0.00 0.00 56.01 57.28 1ug2 n LEU 11 Cb 0.59 -2.46 -0.04 0.00 -1.62 0.00 0.00 43.42 39.89 1ug2 n LEU 11 CO 0.15 -1.69 0.75 -2.16 -1.22 0.00 0.00 177.39 173.23 1ug2 s PRO 12 N -3.75 4.35 0.88 3.23 0.04 -1.26 -5.15 135.00 133.35 1ug2 s PRO 12 Ca 0.00 1.62 -0.12 0.00 0.04 0.00 0.00 61.00 62.54 1ug2 s PRO 12 Cb 0.00 -2.79 0.12 0.00 0.04 0.00 0.00 34.50 31.87 1ug2 s PRO 12 CO 0.00 -0.00 1.10 -1.59 0.04 0.00 0.00 177.00 176.55 1ug2 s LYS 13 N -2.09 1.40 0.30 4.56 -2.85 -1.26 -5.08 119.74 114.73 1ug2 s LYS 13 Ca 0.53 0.65 -0.03 0.00 -1.00 0.00 0.00 55.97 56.11 1ug2 s LYS 13 Cb -0.26 -1.84 -0.01 0.00 -2.06 0.00 0.00 37.83 33.67 1ug2 s LYS 13 CO 0.33 -2.10 0.41 0.00 0.10 0.00 0.00 175.35 174.09 1ug2 s ALA 14 N -3.06 0.72 0.86 0.59 0.00 -1.26 -5.15 121.76 114.47 1ug2 s ALA 14 Ca 0.63 -1.46 -0.14 0.00 0.00 0.00 0.00 51.96 50.99 1ug2 s ALA 14 Cb -0.16 1.20 0.03 0.00 0.00 0.00 0.00 23.12 24.18 1ug2 s ALA 14 CO 0.56 -0.77 0.60 -1.13 0.00 0.00 0.00 175.76 175.02 1ug2 n SER 15 N -1.07 -1.23 -4.89 0.00 3.41 -1.26 -4.98 113.62 103.60 1ug2 n SER 15 Ca 0.01 0.45 -0.28 0.00 -0.26 0.00 0.00 58.87 58.79 1ug2 n SER 15 Cb 0.62 -1.27 0.09 0.00 -0.26 0.00 0.00 64.21 63.39 1ug2 n SER 15 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 175.04 173.05 1ug2 s GLU 16 N -3.52 2.00 0.10 4.33 4.04 -1.26 -5.10 118.70 119.28 1ug2 s GLU 16 Ca 0.62 -0.01 -0.26 0.00 0.04 0.00 0.00 54.97 55.36 1ug2 s GLU 16 Cb -0.26 -2.01 0.08 0.00 0.02 0.00 0.00 34.13 31.95 1ug2 s GLU 16 CO 0.62 -1.52 0.85 0.00 -1.84 0.00 0.00 175.26 173.37 1ug2 s ALA 17 N -3.49 -1.68 0.59 -0.84 0.00 -1.26 -5.15 121.76 109.93 1ug2 s ALA 17 Ca 0.62 0.52 0.00 0.00 0.00 0.00 0.00 51.96 53.09 1ug2 s ALA 17 Cb -0.11 0.61 0.00 0.00 0.00 0.00 0.00 23.12 23.62 1ug2 s ALA 17 CO 0.48 -0.85 0.00 2.41 0.00 0.00 0.00 175.76 177.80 1ug2 n THR 18 N -0.36 -1.35 -1.33 0.00 -1.04 -1.26 -5.01 114.28 103.93 1ug2 n THR 18 Ca -0.09 1.02 0.04 0.00 -2.04 0.00 0.00 64.05 62.99 1ug2 n THR 18 Cb 0.62 -1.59 -0.02 0.00 -1.82 0.00 0.00 70.33 67.51 1ug2 n THR 18 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 1ug2 n VAL 19 N -3.82 -2.08 0.00 12.58 0.31 -1.26 -4.58 118.33 119.48 1ug2 n VAL 19 Ca -0.07 1.15 0.00 0.00 -0.01 0.00 0.00 64.34 65.41 1ug2 n VAL 19 Cb 0.60 -1.88 0.00 0.00 -0.91 0.00 0.00 33.84 31.66 1ug2 n VAL 19 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1ug2 n ALA 21 N 0.00 4.24 0.04 0.00 0.00 -1.26 -4.49 120.51 119.04 1ug2 n ALA 21 Ca 0.00 -4.39 0.00 0.00 0.00 0.00 0.00 53.44 49.05 1ug2 n ALA 21 Cb 0.00 -2.87 0.00 0.00 0.00 0.00 0.00 19.45 16.58 1ug2 n ALA 21 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1ug2 n ASN 22 N 4.46 0.50 -4.73 0.00 5.15 -1.26 -4.72 115.26 114.67 1ug2 n ASN 22 Ca 0.34 0.12 -0.42 0.00 -0.60 0.00 0.00 54.58 54.02 1ug2 n ASN 22 Cb 0.40 -0.11 -0.03 0.00 -0.53 0.00 0.00 39.78 39.51 1ug2 n ASN 22 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 1ug2 s ASN 23 N -5.47 6.79 -0.29 1.20 4.22 -1.26 -4.99 114.94 115.15 1ug2 s ASN 23 Ca 0.00 2.45 -0.20 0.00 -2.14 0.00 0.00 52.86 52.97 1ug2 s ASN 23 Cb 0.00 -2.60 0.14 0.00 1.28 0.00 0.00 41.25 40.07 1ug2 s ASN 23 CO 0.00 -0.63 1.06 -0.55 -2.04 0.00 0.00 177.10 174.93 1ug2 s SER 24 N 0.68 -0.42 0.42 3.54 0.15 -1.26 -5.15 113.70 111.66 1ug2 s SER 24 Ca 0.61 0.73 -0.24 0.00 0.70 0.00 0.00 55.95 57.75 1ug2 s SER 24 Cb -0.38 0.97 -0.11 0.00 -1.71 0.00 0.00 66.02 64.79 1ug2 s SER 24 CO 0.36 -0.12 0.97 0.29 1.20 0.00 0.00 173.24 175.94 1ug2 n LYS 25 N 2.91 1.27 -2.77 5.44 5.02 -1.26 -4.89 118.16 123.87 1ug2 n LYS 25 Ca -0.15 0.46 -0.42 0.00 -2.02 0.00 0.00 58.31 56.17 1ug2 n LYS 25 Cb 0.57 -2.00 -0.03 0.00 -0.02 0.00 0.00 35.03 33.55 1ug2 n LYS 25 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1ug2 s VAL 26 N -1.29 4.71 0.31 -0.18 0.11 -1.26 -4.60 120.40 118.20 1ug2 s VAL 26 Ca 0.63 1.69 0.00 0.00 -2.93 0.00 0.00 61.98 61.37 1ug2 s VAL 26 Cb -0.56 -4.25 0.00 0.00 -1.53 0.00 0.00 36.38 30.04 1ug2 s VAL 26 CO 0.57 -0.22 0.00 -0.24 -3.33 0.00 0.00 175.10 171.88 1ug2 n SER 27 N 6.32 -2.74 -4.83 3.54 2.88 -1.26 -5.14 113.62 112.38 1ug2 n SER 27 Ca 0.09 0.71 -0.30 0.00 -1.33 0.00 0.00 58.87 58.03 1ug2 n SER 27 Cb 0.47 2.70 0.06 0.00 -0.75 0.00 0.00 64.21 66.70 1ug2 n SER 27 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1ug2 s SER 28 N -2.00 5.10 -0.25 -3.46 0.01 -1.26 -5.05 113.70 106.79 1ug2 s SER 28 Ca 0.00 1.34 -0.01 0.00 1.31 0.00 0.00 55.95 58.59 1ug2 s SER 28 Cb 0.00 -2.15 0.03 0.00 0.21 0.00 0.00 66.02 64.11 1ug2 s SER 28 CO 0.00 -1.59 -0.07 0.28 0.41 0.00 0.00 173.24 172.28 1ug2 s THR 29 N -3.19 2.79 -1.10 1.44 -1.32 -1.26 -4.76 115.64 108.24 1ug2 s THR 29 Ca 0.59 -1.11 -0.23 0.00 -1.21 0.00 0.00 61.69 59.74 1ug2 s THR 29 Cb -0.13 -2.44 0.01 0.00 -1.51 0.00 0.00 72.50 68.43 1ug2 s THR 29 CO 0.54 0.16 0.72 0.61 -2.21 0.00 0.00 174.62 174.45 1ug2 n GLY 30 N 4.64 -0.99 3.61 6.08 0.00 -1.26 -4.85 105.19 112.42 1ug2 n GLY 30 Ca -0.16 0.43 -0.10 0.00 0.00 0.00 0.00 46.02 46.19 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 -6.26 0.58 0.25 1.61 0.41 -1.26 -4.98 118.70 109.06 1ug2 s GLU 31 Ca 0.40 0.48 0.09 0.00 -0.41 0.00 0.00 54.97 55.53 1ug2 s GLU 31 Cb -0.18 0.28 -0.05 0.00 -1.78 0.00 0.00 34.13 32.40 1ug2 s GLU 31 CO 0.90 -0.11 -0.14 0.15 -0.49 0.00 0.00 175.26 175.57 1ug2 s LYS 32 N -0.20 1.52 -0.03 1.61 3.01 -1.26 -4.87 119.74 119.53 1ug2 s LYS 32 Ca 0.01 -1.71 -0.02 0.00 -1.01 0.00 0.00 55.97 53.24 1ug2 s LYS 32 Cb -0.04 -1.38 0.01 0.00 -1.01 0.00 0.00 37.83 35.42 1ug2 s LYS 32 CO -0.03 0.20 0.06 0.54 0.51 0.00 0.00 175.35 176.64 1ug2 s VAL 33 N -2.81 -0.02 0.00 3.17 0.11 -1.26 -4.98 120.40 114.62 1ug2 s VAL 33 Ca 0.27 0.06 0.00 0.00 -2.93 0.00 0.00 61.98 59.38 1ug2 s VAL 33 Cb -0.01 -0.11 0.00 0.00 -1.53 0.00 0.00 36.38 34.73 1ug2 s VAL 33 CO 0.11 0.02 0.00 0.55 -3.33 0.00 0.00 175.10 172.45 1ug2 n VAL 34 N 3.38 0.00 -0.03 2.04 3.14 -1.26 -5.01 118.33 120.59 1ug2 n VAL 34 Ca -0.17 0.00 -0.01 0.00 -2.96 0.00 0.00 64.34 61.20 1ug2 n VAL 34 Cb 0.57 0.00 -0.00 0.00 -1.06 0.00 0.00 33.84 33.35 1ug2 n VAL 34 CO 0.00 0.00 0.00 0.25 -6.46 0.00 0.00 176.83 170.62 1ug2 h LEU 35 N 0.00 0.00-10.13 6.55 6.46 -2.08 -3.48 115.31 112.62 1ug2 h LEU 35 Ca 0.00 0.00 -0.47 0.00 -0.12 0.00 0.00 57.88 57.29 1ug2 h LEU 35 Cb 0.00 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 39.91 1ug2 h LEU 35 CO 0.00 0.29 -0.42 0.26 -0.62 0.00 0.00 178.44 177.95 1ug2 s TRP 36 N -1.44 3.04 0.02 1.25 0.52 -1.26 -5.12 118.94 115.95 1ug2 s TRP 36 Ca -0.04 -0.23 0.07 0.00 0.02 0.00 0.00 56.10 55.92 1ug2 s TRP 36 Cb 0.01 -1.80 -0.03 0.00 -1.15 0.00 0.00 33.47 30.50 1ug2 s TRP 36 CO 0.06 0.18 -0.21 -0.08 0.02 0.00 0.00 176.95 176.93 1ug2 s THR 37 N -2.21 2.57 0.10 2.01 -1.32 -1.26 -4.78 115.64 110.74 1ug2 s THR 37 Ca 0.41 -1.16 -0.20 0.00 -1.21 0.00 0.00 61.69 59.54 1ug2 s THR 37 Cb -0.08 -2.03 -0.04 0.00 -1.51 0.00 0.00 72.50 68.84 1ug2 s THR 37 CO 0.28 0.42 1.31 -1.14 -2.21 0.00 0.00 174.62 173.28 1ug2 n ARG 38 N 1.84 -0.28 -0.37 7.08 3.00 -1.26 0.74 116.66 127.41 1ug2 n ARG 38 Ca -0.16 1.29 -0.01 0.00 -0.00 0.00 0.00 57.85 58.97 1ug2 n ARG 38 Cb 0.52 -1.91 0.04 0.00 0.00 0.00 0.00 32.46 31.11 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 -4.43 -0.23 -0.30 -0.14 1.02 -1.26 0.19 120.64 115.50 1ug2 n GLU 39 Ca 0.01 1.50 -0.05 0.00 -0.02 0.00 0.00 57.16 58.60 1ug2 n GLU 39 Cb 0.16 -2.22 0.07 0.00 -0.02 0.00 0.00 31.44 29.43 1ug2 n GLU 39 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1ug2 h ALA 40 N 1.34 1.03 -0.17 0.62 0.00 -0.87 1.37 119.26 122.59 1ug2 h ALA 40 Ca 0.34 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.14 1ug2 h ALA 40 Cb 0.58 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1ug2 h ALA 40 CO -0.96 0.52 0.10 0.22 0.00 0.00 0.00 179.25 179.13 1ug2 h ASP 41 N 1.11 0.20 0.12 0.00 3.58 0.79 -2.09 116.42 120.14 1ug2 h ASP 41 Ca 0.29 -0.06 -0.01 0.00 0.42 0.00 0.00 57.03 57.67 1ug2 h ASP 41 Cb 0.00 -0.05 0.00 0.00 1.72 0.00 0.00 39.33 41.00 1ug2 h ASP 41 CO -0.05 0.20 -0.06 0.03 -2.88 0.00 0.00 179.24 176.49 1ug2 h ARG 42 N 0.19 -0.15 -0.99 0.28 3.08 0.25 -3.04 114.38 113.99 1ug2 h ARG 42 Ca 0.06 0.01 0.33 0.00 0.07 0.00 0.00 59.98 60.45 1ug2 h ARG 42 Cb 0.04 0.03 -0.18 0.00 0.08 0.00 0.00 29.97 29.95 1ug2 h ARG 42 CO -0.01 0.23 0.25 0.28 -1.07 0.00 0.00 179.97 179.64 1ug2 h VAL 43 N -0.57 0.03 0.37 2.04 2.07 0.19 1.55 116.25 121.93 1ug2 h VAL 43 Ca -0.02 -0.01 -0.01 0.00 0.82 0.00 0.00 66.70 67.48 1ug2 h VAL 43 Cb 0.45 0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.21 1ug2 h VAL 43 CO 0.03 0.00 -0.31 0.40 0.02 0.00 0.00 177.57 177.71 1ug2 h ILE 44 N 0.02 0.00 -0.68 4.57 2.04 -1.26 0.52 117.51 122.71 1ug2 h ILE 44 Ca 0.70 0.00 0.07 0.00 1.00 0.00 0.00 64.86 66.63 1ug2 h ILE 44 Cb 1.64 0.00 -0.06 0.00 -0.74 0.00 0.00 36.82 37.66 1ug2 h ILE 44 CO -0.85 0.00 0.37 -0.07 0.00 0.00 0.00 178.15 177.60 1ug2 h LEU 45 N -0.67 0.53 0.08 1.44 3.38 -0.40 1.44 115.31 121.11 1ug2 h LEU 45 Ca -0.05 0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1ug2 h LEU 45 Cb 0.56 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 1ug2 h LEU 45 CO -0.01 0.33 -0.16 0.74 0.09 0.00 0.00 178.44 179.44 1ug2 h THR 46 N 0.67 0.00 -0.72 0.22 2.02 0.24 1.43 112.91 116.77 1ug2 h THR 46 Ca 0.31 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.48 1ug2 h THR 46 Cb 0.24 0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 66.61 1ug2 h THR 46 CO -0.21 0.00 0.37 0.24 0.37 0.00 0.00 175.52 176.30 1ug2 h MET 47 N -0.26 1.01 0.00 6.66 2.86 0.24 0.51 114.93 125.95 1ug2 h MET 47 Ca -0.01 -0.13 -0.00 0.00 -2.06 0.00 0.00 59.70 57.50 1ug2 h MET 47 Cb 0.25 -0.19 -0.00 0.00 0.06 0.00 0.00 31.60 31.72 1ug2 h MET 47 CO -0.07 0.77 -0.01 0.00 1.06 0.00 0.00 176.91 178.66 1ug2 h GLN 49 N 0.00 0.00 0.93 0.00 5.75 0.39 0.43 115.11 122.61 1ug2 h GLN 49 Ca -0.00 0.00 -0.05 0.00 -0.15 0.00 0.00 58.65 58.45 1ug2 h GLN 49 Cb 0.17 0.00 0.01 0.00 1.07 0.00 0.00 27.48 28.73 1ug2 h GLN 49 CO 0.00 0.00 -0.45 1.49 -2.65 0.00 0.00 178.83 177.22 1ug2 h GLU 50 N -0.68 -1.21 -0.01 1.69 4.81 -0.01 -3.08 114.58 116.10 1ug2 h GLU 50 Ca 0.00 0.08 -0.13 0.00 -0.13 0.00 0.00 59.36 59.18 1ug2 h GLU 50 Cb 0.30 0.27 -0.02 0.00 0.63 0.00 0.00 28.75 29.94 1ug2 h GLU 50 CO 0.00 -0.80 -0.62 1.96 -0.73 0.00 0.00 179.01 178.81 1ug2 h GLN 51 N -1.31 0.02 0.00 1.92 4.20 0.09 -3.50 115.11 116.53 1ug2 h GLN 51 Ca -0.13 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.56 1ug2 h GLN 51 Cb 0.96 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.74 1ug2 h GLN 51 CO 0.21 0.64 0.00 0.41 -0.67 0.00 0.00 178.83 179.42 1ug2 n GLY 52 N 0.27 2.55 3.56 3.46 0.00 0.20 -4.84 105.19 110.39 1ug2 n GLY 52 Ca -0.01 -1.88 -0.43 0.00 0.00 0.00 0.00 46.02 43.70 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 -2.74 3.33 0.17 4.61 0.00 0.15 -4.06 121.76 123.21 1ug2 s ALA 53 Ca 0.00 -2.89 0.07 0.00 0.00 0.00 0.00 51.96 49.14 1ug2 s ALA 53 Cb 0.00 -4.57 -0.04 0.00 0.00 0.00 0.00 23.12 18.51 1ug2 s ALA 53 CO 0.00 -3.27 -0.15 1.14 0.00 0.00 0.00 175.76 173.48 1ug2 s GLN 54 N 3.99 1.23 0.04 0.00 -2.07 -1.26 -5.02 119.66 116.56 1ug2 s GLN 54 Ca 0.51 -1.44 0.22 0.00 -1.82 0.00 0.00 55.36 52.84 1ug2 s GLN 54 Cb 0.03 -1.11 0.93 0.00 -1.09 0.00 0.00 33.01 31.76 1ug2 s GLN 54 CO 0.05 0.20 1.71 -0.35 -1.32 0.00 0.00 175.29 175.58 1ug2 n PRO 55 N 0.06 0.04 0.07 9.60 -0.04 -1.26 -2.17 135.00 141.30 1ug2 n PRO 55 Ca -0.11 0.15 0.12 0.00 -0.04 0.00 0.00 63.50 63.62 1ug2 n PRO 55 Cb 0.58 -1.55 0.21 0.00 -0.04 0.00 0.00 33.50 32.70 1ug2 n PRO 55 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1ug2 h HIS 56 N 0.00 0.00 0.12 0.54 3.86 -1.95 -3.33 115.15 114.38 1ug2 h HIS 56 Ca 0.00 0.00 -0.30 0.00 -1.16 0.00 0.00 60.37 58.91 1ug2 h HIS 56 Cb 0.40 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.87 1ug2 h HIS 56 CO 0.00 0.00 -1.58 1.15 0.86 0.00 0.00 177.93 178.36 1ug2 h THR 57 N 0.00 0.92 -0.37 2.45 2.02 -1.76 -3.33 112.91 112.85 1ug2 h THR 57 Ca 0.00 -2.39 0.11 0.00 0.77 0.00 0.00 66.41 64.90 1ug2 h THR 57 Cb 0.76 2.64 -0.01 0.00 -1.74 0.00 0.00 68.15 69.80 1ug2 h THR 57 CO 0.00 0.74 0.69 -0.26 0.37 0.00 0.00 175.52 177.06 1ug2 h PHE 58 N -0.21 0.00 0.00 3.16 0.04 -1.65 1.49 116.94 119.77 1ug2 h PHE 58 Ca -0.34 0.00 -0.07 0.00 2.80 0.00 0.00 57.97 60.36 1ug2 h PHE 58 Cb 1.84 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.98 1ug2 h PHE 58 CO 0.11 0.00 -0.35 1.03 -0.60 0.00 0.00 178.31 178.50 1ug2 h SER 59 N 0.00 0.00 0.02 2.17 0.87 -1.73 -0.44 113.55 114.45 1ug2 h SER 59 Ca 0.17 0.00 -0.19 0.00 -1.23 0.00 0.00 61.79 60.55 1ug2 h SER 59 Cb 1.54 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 63.48 1ug2 h SER 59 CO -0.00 0.35 -1.01 1.62 -0.53 0.00 0.00 176.83 177.26 1ug2 h VAL 60 N 0.00 1.14 -0.08 2.23 3.04 0.19 -3.33 116.25 119.43 1ug2 h VAL 60 Ca -0.00 -2.26 0.04 0.00 -1.01 0.00 0.00 66.70 63.46 1ug2 h VAL 60 Cb 0.63 2.60 -0.06 0.00 -2.01 0.00 0.00 31.29 32.44 1ug2 h VAL 60 CO 0.05 0.47 -0.38 0.40 -1.01 0.00 0.00 177.57 177.09 1ug2 h ILE 61 N -0.85 0.20 -0.98 3.17 2.04 -1.33 0.46 117.51 120.23 1ug2 h ILE 61 Ca -0.26 0.00 0.19 0.00 1.00 0.00 0.00 64.86 65.79 1ug2 h ILE 61 Cb 1.33 0.20 -0.18 0.00 -0.74 0.00 0.00 36.82 37.43 1ug2 h ILE 61 CO -0.10 0.00 -0.25 -1.28 0.00 0.00 0.00 178.15 176.52 1ug2 h SER 62 N -0.48 -0.92 0.01 1.72 0.87 -1.25 1.20 113.55 114.70 1ug2 h SER 62 Ca 0.07 0.29 -0.00 0.00 -1.23 0.00 0.00 61.79 60.93 1ug2 h SER 62 Cb 0.61 0.61 0.00 0.00 -0.44 0.00 0.00 62.40 63.17 1ug2 h SER 62 CO -0.35 -0.32 -0.00 1.56 -0.53 0.00 0.00 176.83 177.18 1ug2 h GLN 63 N -0.00 -0.01 -0.75 2.24 4.20 -1.28 -2.82 115.11 116.70 1ug2 h GLN 63 Ca 0.47 0.00 0.17 0.00 0.06 0.00 0.00 58.65 59.34 1ug2 h GLN 63 Cb 0.71 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 28.45 1ug2 h GLN 63 CO -1.00 0.35 0.51 1.96 -0.67 0.00 0.00 178.83 179.97 1ug2 h GLN 64 N -0.36 0.29 -0.04 1.46 1.08 0.38 0.04 115.11 117.96 1ug2 h GLN 64 Ca -0.00 -0.02 -0.00 0.00 -1.45 0.00 0.00 58.65 57.18 1ug2 h GLN 64 Cb 0.36 -0.07 -0.00 0.00 -0.05 0.00 0.00 27.48 27.72 1ug2 h GLN 64 CO 0.00 0.19 0.03 -0.07 -0.95 0.00 0.00 178.83 178.03 1ug2 h LEU 65 N 0.30 0.05 0.00 1.46 3.38 0.15 -3.48 115.31 117.17 1ug2 h LEU 65 Ca 0.37 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.31 1ug2 h LEU 65 Cb 1.00 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.74 1ug2 h LEU 65 CO -0.10 0.07 0.00 0.61 0.09 0.00 0.00 178.44 179.11 1ug2 n GLY 66 N -1.02 2.41 0.39 0.83 0.00 0.00 -4.83 105.19 102.98 1ug2 n GLY 66 Ca -0.06 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.62 1ug2 n GLY 66 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1ug2 n ASN 67 N 0.00 0.00 -3.21 1.61 3.02 -1.26 -4.89 115.26 110.53 1ug2 n ASN 67 Ca 0.00 -1.62 -0.20 0.00 -0.03 0.00 0.00 54.58 52.73 1ug2 n ASN 67 Cb 0.00 -0.12 0.16 0.00 -0.61 0.00 0.00 39.78 39.21 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 0.00 -2.25 -4.32 3.52 3.00 -1.13 -5.05 118.16 111.93 1ug2 n LYS 68 Ca 0.00 -1.19 -0.17 0.00 -0.00 0.00 0.00 58.31 56.94 1ug2 n LYS 68 Cb 0.62 -1.07 -0.10 0.00 0.00 0.00 0.00 35.03 34.48 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 1.54 -0.51 3.15 -4.23 -1.26 -4.62 115.64 107.31 1ug2 s THR 69 Ca 0.48 -2.16 0.26 0.00 -1.18 0.00 0.00 61.69 59.09 1ug2 s THR 69 Cb -0.04 -2.02 0.29 0.00 1.34 0.00 0.00 72.50 72.07 1ug2 s THR 69 CO 0.36 -0.62 1.76 1.55 -0.54 0.00 0.00 174.62 177.14 1ug2 h PRO 70 N 2.61 0.00 0.10 3.99 0.13 -1.92 -2.09 132.00 134.82 1ug2 h PRO 70 Ca -0.38 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 64.56 1ug2 h PRO 70 Cb 1.21 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.35 1ug2 h PRO 70 CO 0.63 0.00 -0.90 -0.24 -0.23 0.00 0.00 178.00 177.26 1ug2 h VAL 71 N 0.00 1.37 -0.00 1.56 3.04 -1.96 -3.29 116.25 116.98 1ug2 h VAL 71 Ca 0.00 -2.45 -0.00 0.00 -1.01 0.00 0.00 66.70 63.24 1ug2 h VAL 71 Cb 0.59 3.02 -0.00 0.00 -2.01 0.00 0.00 31.29 32.90 1ug2 h VAL 71 CO 0.00 0.67 0.00 -0.33 -1.01 0.00 0.00 177.57 176.90 1ug2 h GLU 72 N -0.48 0.00 -1.20 4.17 4.39 -1.96 -2.22 114.58 117.27 1ug2 h GLU 72 Ca -0.18 -0.00 0.38 0.00 0.34 0.00 0.00 59.36 59.90 1ug2 h GLU 72 Cb 1.56 -0.00 -0.12 0.00 -0.10 0.00 0.00 28.75 30.09 1ug2 h GLU 72 CO 0.08 0.24 0.76 0.28 -1.16 0.00 0.00 179.01 179.21 1ug2 h VAL 73 N -0.24 0.24 -0.15 3.13 2.07 -1.53 1.55 116.25 121.32 1ug2 h VAL 73 Ca 0.00 -0.06 -0.17 0.00 0.82 0.00 0.00 66.70 67.29 1ug2 h VAL 73 Cb 0.24 0.04 0.01 0.00 -1.52 0.00 0.00 31.29 30.06 1ug2 h VAL 73 CO 0.00 0.03 -0.55 -1.28 0.02 0.00 0.00 177.57 175.79 1ug2 h SER 74 N 0.19 0.75 0.24 0.57 0.87 -1.53 0.47 113.55 115.10 1ug2 h SER 74 Ca 0.75 -0.61 -0.08 0.00 -1.23 0.00 0.00 61.79 60.63 1ug2 h SER 74 Cb 2.19 -0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 63.92 1ug2 h SER 74 CO -0.42 1.23 -0.31 0.45 -0.53 0.00 0.00 176.83 177.25 1ug2 h HIS 75 N 0.31 0.13 0.07 2.24 -0.00 0.23 -0.10 115.15 118.02 1ug2 h HIS 75 Ca -0.03 -0.02 -0.25 0.00 -0.00 0.00 0.00 60.37 60.07 1ug2 h HIS 75 Cb 1.18 -0.03 0.01 0.00 -0.00 0.00 0.00 27.41 28.57 1ug2 h HIS 75 CO 0.10 0.42 -1.10 -0.09 -0.00 0.00 0.00 177.93 177.26 1ug2 h ARG 76 N 0.10 0.35 0.09 2.45 9.65 0.11 -2.72 114.38 124.41 1ug2 h ARG 76 Ca 0.01 -0.47 -0.00 0.00 -1.10 0.00 0.00 59.98 58.42 1ug2 h ARG 76 Cb 0.60 0.16 0.00 0.00 -1.39 0.00 0.00 29.97 29.34 1ug2 h ARG 76 CO 0.04 1.17 -0.04 0.35 2.80 0.00 0.00 179.97 184.29 1ug2 h PHE 77 N 0.16 -0.11 0.00 2.20 3.57 -0.50 0.17 116.94 122.43 1ug2 h PHE 77 Ca -0.11 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.38 1ug2 h PHE 77 Cb 1.78 0.04 -0.00 0.00 2.79 0.00 0.00 35.95 40.55 1ug2 h PHE 77 CO 0.06 0.29 -0.04 0.07 -2.23 0.00 0.00 178.31 176.47 1ug2 h ARG 78 N -0.54 0.00 0.01 1.11 -0.00 -1.13 -1.91 114.38 111.93 1ug2 h ARG 78 Ca -0.01 0.00 -0.02 0.00 -0.00 0.00 0.00 59.98 59.94 1ug2 h ARG 78 Cb 0.45 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.42 1ug2 h ARG 78 CO 0.02 0.04 -0.10 0.93 -0.00 0.00 0.00 179.97 180.85 1ug2 h GLU 79 N 0.00 0.05 -0.13 0.08 4.39 -1.28 -2.99 114.58 114.70 1ug2 h GLU 79 Ca -0.00 -0.07 0.05 0.00 0.34 0.00 0.00 59.36 59.68 1ug2 h GLU 79 Cb 0.11 0.02 -0.06 0.00 -0.10 0.00 0.00 28.75 28.72 1ug2 h GLU 79 CO 0.00 0.96 -0.29 -0.07 -1.16 0.00 0.00 179.01 178.45 1ug2 h LEU 80 N -0.83 -0.90 -0.70 1.33 3.38 -0.45 0.69 115.31 117.82 1ug2 h LEU 80 Ca -0.02 0.14 0.00 0.00 0.09 0.00 0.00 57.88 58.09 1ug2 h LEU 80 Cb 1.01 0.39 0.00 0.00 0.09 0.00 0.00 40.66 42.15 1ug2 h LEU 80 CO 0.02 -0.34 0.00 0.23 0.09 0.00 0.00 178.44 178.44 1ug2 n MET 81 N -5.40 0.08 -0.10 1.13 2.81 -0.76 -2.11 117.12 112.77 1ug2 n MET 81 Ca -0.03 0.53 -0.20 0.00 -1.81 0.00 0.00 57.70 56.19 1ug2 n MET 81 Cb 0.31 -1.74 -0.11 0.00 -0.71 0.00 0.00 33.22 30.97 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 -0.97 0.03 5.75 0.30 -3.12 115.11 117.10 1ug2 h GLN 82 Ca 0.00 0.00 0.22 0.00 -0.15 0.00 0.00 58.65 58.72 1ug2 h GLN 82 Cb 0.06 0.00 -0.08 0.00 1.07 0.00 0.00 27.48 28.53 1ug2 h GLN 82 CO 0.00 0.93 0.62 1.37 -2.65 0.00 0.00 178.83 179.10 1ug2 h LEU 83 N -1.00 0.51 0.12 -2.39 8.10 0.26 0.42 115.31 121.33 1ug2 h LEU 83 Ca -0.29 0.07 -0.01 0.00 0.11 0.00 0.00 57.88 57.76 1ug2 h LEU 83 Cb 1.22 -0.02 0.00 0.00 -0.44 0.00 0.00 40.66 41.41 1ug2 h LEU 83 CO -0.18 0.17 -0.06 -0.26 -4.11 0.00 0.00 178.44 174.01 1ug2 h PHE 84 N 0.49 -0.15 0.65 0.17 0.04 -1.61 -0.86 116.94 115.67 1ug2 h PHE 84 Ca 0.53 -0.00 -0.03 0.00 2.80 0.00 0.00 57.97 61.27 1ug2 h PHE 84 Cb 1.20 0.05 -0.00 0.00 2.20 0.00 0.00 35.95 39.40 1ug2 h PHE 84 CO -0.00 0.26 -0.40 0.45 -0.60 0.00 0.00 178.31 178.02 1ug2 h HIS 85 N -0.62 -1.06 -0.27 -0.55 3.86 -1.06 -3.13 115.15 112.32 1ug2 h HIS 85 Ca -0.02 -0.01 0.04 0.00 -1.16 0.00 0.00 60.37 59.23 1ug2 h HIS 85 Cb 0.48 0.38 -0.07 0.00 1.06 0.00 0.00 27.41 29.25 1ug2 h HIS 85 CO 0.07 -0.60 -0.53 1.15 0.86 0.00 0.00 177.93 178.88 1ug2 h THR 86 N -0.98 0.02 -5.10 2.45 2.02 -0.35 -3.48 112.91 107.49 1ug2 h THR 86 Ca -0.09 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.10 1ug2 h THR 86 Cb 0.79 0.02 -0.11 0.00 -1.74 0.00 0.00 68.15 67.11 1ug2 h THR 86 CO 0.09 0.00 -1.43 0.00 0.37 0.00 0.00 175.52 174.55 1ug2 n ALA 87 N -3.04 -3.55 -3.56 6.16 0.00 -0.33 -5.07 120.51 111.12 1ug2 n ALA 87 Ca -0.04 1.99 -0.15 0.00 0.00 0.00 0.00 53.44 55.24 1ug2 n ALA 87 Cb 0.36 -3.92 -0.06 0.00 0.00 0.00 0.00 19.45 15.83 1ug2 n ALA 87 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ug2 n GLU 89 N 1.18 -3.96 -3.60 0.00 2.13 -1.26 -5.07 120.64 110.06 1ug2 n GLU 89 Ca -0.15 3.07 -0.03 0.00 0.66 0.00 0.00 57.16 60.71 1ug2 n GLU 89 Cb 0.57 -4.92 -0.06 0.00 0.27 0.00 0.00 31.44 27.30 1ug2 n GLU 89 CO 0.00 0.00 0.00 -1.54 -0.41 0.00 0.00 177.13 175.18 1ug2 s SER 90 N -1.02 -0.79 0.00 4.31 1.04 -1.26 -5.11 113.70 110.86 1ug2 s SER 90 Ca -0.16 1.19 0.00 0.00 0.48 0.00 0.00 55.95 57.45 1ug2 s SER 90 Cb 0.01 1.60 0.00 0.00 0.10 0.00 0.00 66.02 67.73 1ug2 s SER 90 CO 0.74 -0.18 0.00 0.61 0.98 0.00 0.00 173.24 175.39 1ug2 n GLY 91 N 4.52 0.18 3.80 7.32 0.00 -1.26 -5.01 105.19 114.75 1ug2 n GLY 91 Ca -0.16 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.53 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 0.00 3.72 -0.42 1.61 0.04 -1.26 -5.03 135.00 133.65 1ug2 s PRO 92 Ca 0.00 1.32 0.05 0.00 0.04 0.00 0.00 61.00 62.41 1ug2 s PRO 92 Cb 0.00 -2.08 0.18 0.00 0.04 0.00 0.00 34.50 32.63 1ug2 s PRO 92 CO 0.00 -0.49 0.41 0.43 0.04 0.00 0.00 177.00 177.38 1ug2 n SER 93 N -1.17 -0.88 -3.18 6.66 7.64 -1.26 -4.56 113.62 116.87 1ug2 n SER 93 Ca 0.09 -2.47 -0.17 0.00 1.01 0.00 0.00 58.87 57.33 1ug2 n SER 93 Cb 0.53 -0.23 0.02 0.00 -1.01 0.00 0.00 64.21 63.51 1ug2 n SER 93 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1ug2 n SER 94 N 2.77 -6.64 0.00 6.43 7.64 -1.26 -5.17 113.62 117.39 1ug2 n SER 94 Ca 0.28 0.36 0.13 0.00 1.01 0.00 0.00 58.87 60.65 1ug2 n SER 94 Cb 0.49 -2.90 0.80 0.00 -1.01 0.00 0.00 64.21 61.59 1ug2 n SER 94 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64