#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k3u s SER 32 N 0.00 -0.39 0.00 6.41 0.01 -1.26 -5.04 113.70 113.43 2k3u s SER 32 Ca 0.00 0.59 0.00 0.00 1.31 0.00 0.00 55.95 57.85 2k3u s SER 32 Cb 0.00 0.66 0.00 0.00 0.21 0.00 0.00 66.02 66.89 2k3u s SER 32 CO 0.00 -0.31 0.00 0.61 0.41 0.00 0.00 173.24 173.95 2k3u n GLY 33 N 2.07 0.10 3.38 3.44 0.00 -1.26 -5.16 105.19 107.77 2k3u n GLY 33 Ca -0.17 -0.01 -0.28 0.00 0.00 0.00 0.00 46.02 45.57 2k3u n GLY 33 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2k3u s LEU 34 N 0.00 2.35 0.89 0.99 1.43 -1.26 -5.15 118.68 117.93 2k3u s LEU 34 Ca 0.00 -0.77 -0.12 0.00 -1.03 0.00 0.00 54.13 52.21 2k3u s LEU 34 Cb 0.00 -1.15 0.13 0.00 0.03 0.00 0.00 46.19 45.20 2k3u s LEU 34 CO 0.00 0.14 1.10 -2.16 0.23 0.00 0.00 176.35 175.66 2k3u s PRO 35 N -2.19 1.30 0.00 1.29 0.04 -1.26 -5.02 135.00 129.16 2k3u s PRO 35 Ca 0.14 0.66 0.00 0.00 0.04 0.00 0.00 61.00 61.84 2k3u s PRO 35 Cb -0.09 -1.83 0.00 0.00 0.04 0.00 0.00 34.50 32.62 2k3u s PRO 35 CO 0.07 -2.17 0.05 -2.37 0.04 0.00 0.00 177.00 172.62 2k3u n THR 36 N -3.81 0.00 -4.25 1.26 5.66 -1.26 -4.99 114.28 106.89 2k3u n THR 36 Ca 0.07 -0.09 -0.17 0.00 -3.05 0.00 0.00 64.05 60.81 2k3u n THR 36 Cb 0.56 1.43 -0.11 0.00 -1.55 0.00 0.00 70.33 70.66 2k3u n THR 36 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 2k3u s THR 37 N -0.09 1.30 0.41 1.09 -4.23 -1.26 -1.35 115.64 111.51 2k3u s THR 37 Ca 0.00 -1.83 0.10 0.00 -1.18 0.00 0.00 61.69 58.78 2k3u s THR 37 Cb 0.00 -1.63 0.30 0.00 1.34 0.00 0.00 72.50 72.51 2k3u s THR 37 CO 0.00 -0.51 2.00 -0.07 -0.54 0.00 0.00 174.62 175.50 2k3u h LEU 38 N 3.28 0.47 -0.93 4.79 3.38 -1.61 -2.74 115.31 121.95 2k3u h LEU 38 Ca -0.39 0.00 0.18 0.00 0.09 0.00 0.00 57.88 57.76 2k3u h LEU 38 Cb 1.20 -0.10 -0.11 0.00 0.09 0.00 0.00 40.66 41.74 2k3u h LEU 38 CO 0.54 0.31 0.51 1.23 0.09 0.00 0.00 178.44 181.13 2k3u h GLY 39 N 0.54 1.60 1.01 0.83 0.00 -1.47 0.11 103.07 105.70 2k3u h GLY 39 Ca 0.24 -0.29 -0.32 0.00 0.00 0.00 0.00 47.33 46.96 2k3u h GLY 39 CO -0.07 -0.09 -1.70 0.50 0.00 0.00 0.00 176.54 175.18 2k3u h LYS 40 N 0.65 0.21 -0.67 4.80 1.79 -1.86 -3.29 116.57 118.19 2k3u h LYS 40 Ca 0.54 -0.36 -0.03 0.00 -2.18 0.00 0.00 60.65 58.62 2k3u h LYS 40 Cb 0.84 0.13 -0.03 0.00 -1.58 0.00 0.00 32.23 31.60 2k3u h LYS 40 CO -0.40 1.02 0.29 1.25 -1.08 0.00 0.00 179.45 180.53 2k3u h LEU 41 N 0.06 0.91 -0.94 2.94 6.46 -1.14 -2.53 115.31 121.06 2k3u h LEU 41 Ca -0.30 -0.16 0.03 0.00 -0.12 0.00 0.00 57.88 57.33 2k3u h LEU 41 Cb 2.02 -0.24 -0.05 0.00 -0.73 0.00 0.00 40.66 41.67 2k3u h LEU 41 CO 0.13 0.82 0.62 -0.78 -0.62 0.00 0.00 178.44 178.60 2k3u h ASP 42 N 0.94 1.04 -0.65 1.25 3.58 -0.96 0.27 116.42 121.90 2k3u h ASP 42 Ca 0.23 -0.01 -0.07 0.00 0.42 0.00 0.00 57.03 57.59 2k3u h ASP 42 Cb 0.18 -0.24 -0.03 0.00 1.72 0.00 0.00 39.33 40.96 2k3u h ASP 42 CO -0.02 0.73 0.14 -0.08 -2.88 0.00 0.00 179.24 177.12 2k3u h GLU 43 N 1.21 1.05 -0.16 0.28 4.81 -1.59 -1.62 114.58 118.56 2k3u h GLU 43 Ca 0.37 -0.26 -0.01 0.00 -0.13 0.00 0.00 59.36 59.32 2k3u h GLU 43 Cb -0.05 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.20 2k3u h GLU 43 CO -0.11 0.95 0.05 -0.09 -0.73 0.00 0.00 179.01 179.09 2k3u h ARG 44 N 0.97 0.25 -0.69 1.92 2.43 -0.96 -2.49 114.38 115.80 2k3u h ARG 44 Ca 0.20 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.30 2k3u h ARG 44 Cb 0.39 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.87 2k3u h ARG 44 CO 0.01 0.36 0.37 -0.07 -1.51 0.00 0.00 179.97 179.13 2k3u h LEU 45 N 0.09 0.86 -1.36 3.80 3.38 -0.79 0.19 115.31 121.48 2k3u h LEU 45 Ca 0.05 -0.07 -0.07 0.00 0.09 0.00 0.00 57.88 57.89 2k3u h LEU 45 Cb 0.21 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 2k3u h LEU 45 CO -0.00 0.69 -0.30 0.03 0.09 0.00 0.00 178.44 178.95 2k3u h ARG 46 N 0.96 0.04 -0.03 1.13 3.08 -1.29 -2.14 114.38 116.13 2k3u h ARG 46 Ca 0.24 -0.01 -0.20 0.00 0.07 0.00 0.00 59.98 60.08 2k3u h ARG 46 Cb 0.03 -0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.08 2k3u h ARG 46 CO -0.04 0.33 -0.84 -0.91 -1.07 0.00 0.00 179.97 177.45 2k3u h ASN 47 N 0.03 0.47 -0.50 7.04 2.35 -0.69 -3.17 115.58 121.11 2k3u h ASN 47 Ca 0.00 -0.34 0.04 0.00 -0.55 0.00 0.00 56.30 55.45 2k3u h ASN 47 Cb 0.55 -0.14 -0.03 0.00 0.05 0.00 0.00 38.32 38.75 2k3u h ASN 47 CO 0.04 1.12 0.33 1.88 -1.65 0.00 0.00 177.43 179.15 2k3u h TYR 48 N 0.23 0.50 -0.01 1.19 -1.99 -0.14 -0.35 116.97 116.40 2k3u h TYR 48 Ca -0.05 0.01 -0.00 0.00 2.00 0.00 0.00 58.73 60.69 2k3u h TYR 48 Cb 1.45 -0.17 -0.00 0.00 2.00 0.00 0.00 36.73 40.01 2k3u h TYR 48 CO 0.05 0.28 0.00 -0.07 -0.00 0.00 0.00 178.16 178.42 2k3u h LEU 49 N 0.51 0.02 -0.42 3.88 3.38 -1.40 -1.17 115.31 120.10 2k3u h LEU 49 Ca 0.21 -0.23 -0.06 0.00 0.09 0.00 0.00 57.88 57.89 2k3u h LEU 49 Cb 0.18 -0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 2k3u h LEU 49 CO -0.05 0.24 0.03 0.11 0.09 0.00 0.00 178.44 178.86 2k3u h LYS 50 N -0.21 0.72 0.00 1.13 1.57 -1.45 0.61 116.57 118.94 2k3u h LYS 50 Ca 0.00 -0.21 0.00 0.00 -1.87 0.00 0.00 60.65 58.57 2k3u h LYS 50 Cb 0.23 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.47 2k3u h LYS 50 CO 0.00 0.78 0.00 0.87 -0.57 0.00 0.00 179.45 180.53 2k3u h LYS 51 N 0.57 0.00 0.00 3.15 1.57 -1.13 -3.37 116.57 117.35 2k3u h LYS 51 Ca 0.12 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 2k3u h LYS 51 Cb 0.43 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.74 2k3u h LYS 51 CO 0.02 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.31 2k3u n GLY 52 N -0.48 0.93 3.24 3.86 0.00 -0.44 -5.05 105.19 107.25 2k3u n GLY 52 Ca -0.01 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.81 2k3u n GLY 52 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2k3u s THR 53 N -0.45 1.42 0.36 2.61 -4.23 0.17 -5.00 115.64 110.52 2k3u s THR 53 Ca 0.00 -1.55 0.11 0.00 -1.18 0.00 0.00 61.69 59.07 2k3u s THR 53 Cb 0.00 -1.42 0.09 0.00 1.34 0.00 0.00 72.50 72.51 2k3u s THR 53 CO 0.00 -0.24 1.82 0.07 -0.54 0.00 0.00 174.62 175.73 2k3u h LYS 54 N 3.91 0.07 -1.15 3.99 2.10 -1.92 -3.42 116.57 120.16 2k3u h LYS 54 Ca -0.42 -0.03 -0.09 0.00 -2.00 0.00 0.00 60.65 58.11 2k3u h LYS 54 Cb 1.19 -0.00 -0.21 0.00 -0.90 0.00 0.00 32.23 32.30 2k3u h LYS 54 CO 0.44 0.41 -0.48 1.21 -2.00 0.00 0.00 179.45 179.03 2k3u s ASN 55 N -6.92 -1.13 0.57 7.07 2.47 -1.26 -5.04 114.94 110.70 2k3u s ASN 55 Ca -0.03 -0.76 0.27 0.00 0.42 0.00 0.00 52.86 52.75 2k3u s ASN 55 Cb 0.14 1.76 1.50 0.00 -1.45 0.00 0.00 41.25 43.21 2k3u s ASN 55 CO 0.73 -0.20 2.00 0.77 -3.72 0.00 0.00 177.10 176.68 2k3u h SER 56 N 7.16 0.00 0.48 -4.21 4.64 -1.85 -3.30 113.55 116.47 2k3u h SER 56 Ca 0.04 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.34 2k3u h SER 56 Cb 1.16 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.25 2k3u h SER 56 CO 0.12 0.00 -0.08 0.00 -0.87 0.00 0.00 176.83 176.01 2k3u h ALA 57 N 1.67 1.15 0.00 5.18 0.00 -1.99 -2.57 119.26 122.69 2k3u h ALA 57 Ca 0.18 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2k3u h ALA 57 Cb 0.88 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.65 2k3u h ALA 57 CO -0.00 0.09 0.00 -0.56 0.00 0.00 0.00 179.25 178.78 2k3u h GLN 58 N 0.00 0.00 -7.21 0.00 3.07 -1.98 -3.46 115.11 105.52 2k3u h GLN 58 Ca -0.00 0.00 -0.49 0.00 0.09 0.00 0.00 58.65 58.25 2k3u h GLN 58 Cb 0.34 0.00 0.04 0.00 0.08 0.00 0.00 27.48 27.94 2k3u h GLN 58 CO 0.01 0.00 0.38 -0.06 0.09 0.00 0.00 178.83 179.25 2k3u s PHE 59 N -3.41 3.24 0.00 0.06 0.08 -0.97 -0.93 117.98 116.05 2k3u s PHE 59 Ca 0.05 1.47 0.00 0.00 0.12 0.00 0.00 56.93 58.57 2k3u s PHE 59 Cb 0.08 -2.89 0.00 0.00 -0.57 0.00 0.00 43.02 39.64 2k3u s PHE 59 CO 0.58 -0.76 0.00 -1.91 -0.10 0.00 0.00 175.22 173.03 2k3u n GLU 60 N -1.93 0.00 -4.01 0.44 2.13 0.18 -4.61 120.64 112.84 2k3u n GLU 60 Ca 0.08 0.00 -0.13 0.00 0.66 0.00 0.00 57.16 57.77 2k3u n GLU 60 Cb 0.53 -0.44 -0.02 0.00 0.27 0.00 0.00 31.44 31.78 2k3u n GLU 60 CO 0.00 0.00 0.00 -1.59 -0.41 0.00 0.00 177.13 175.13 2k3u s LYS 61 N -1.94 1.98 0.13 5.31 -2.85 -1.23 -0.57 119.74 120.57 2k3u s LYS 61 Ca 0.00 -1.64 -0.07 0.00 -1.00 0.00 0.00 55.97 53.26 2k3u s LYS 61 Cb 0.00 0.50 -0.01 0.00 -2.06 0.00 0.00 37.83 36.25 2k3u s LYS 61 CO 0.00 -0.85 0.20 0.00 0.10 0.00 0.00 175.35 174.79 2k3u s MET 62 N -2.91 1.00 -0.07 1.78 0.23 -0.51 -2.07 119.30 116.75 2k3u s MET 62 Ca 0.26 -1.17 -0.06 0.00 -1.03 0.00 0.00 55.69 53.69 2k3u s MET 62 Cb -0.02 0.33 0.03 0.00 -1.53 0.00 0.00 34.83 33.64 2k3u s MET 62 CO 0.17 -0.33 0.19 0.54 -2.03 0.00 0.00 175.02 173.56 2k3u s VAL 63 N -3.95 -0.01 -0.06 5.16 0.11 -0.10 -1.82 120.40 119.73 2k3u s VAL 63 Ca 0.15 0.05 0.04 0.00 -2.93 0.00 0.00 61.98 59.28 2k3u s VAL 63 Cb 0.05 -0.28 -0.02 0.00 -1.53 0.00 0.00 36.38 34.60 2k3u s VAL 63 CO -0.03 0.02 -0.17 -0.63 -3.33 0.00 0.00 175.10 170.96 2k3u s ILE 64 N 0.42 2.81 -0.10 7.04 1.09 0.60 -0.62 121.20 132.44 2k3u s ILE 64 Ca -0.03 -0.80 0.03 0.00 -1.10 0.00 0.00 60.65 58.75 2k3u s ILE 64 Cb -0.04 -2.09 0.01 0.00 -1.06 0.00 0.00 42.46 39.27 2k3u s ILE 64 CO -0.02 0.58 -0.21 -0.76 -0.10 0.00 0.00 174.94 174.43 2k3u s LEU 65 N -0.48 1.98 0.41 2.97 1.43 -0.14 -1.88 118.68 122.98 2k3u s LEU 65 Ca 0.06 -0.51 0.04 0.00 -1.03 0.00 0.00 54.13 52.68 2k3u s LEU 65 Cb -0.12 -1.29 -0.04 0.00 0.03 0.00 0.00 46.19 44.77 2k3u s LEU 65 CO 0.02 0.11 0.06 0.42 0.23 0.00 0.00 176.35 177.18 2k3u s THR 66 N 0.54 1.16 1.11 5.49 -4.23 -0.88 -1.43 115.64 117.40 2k3u s THR 66 Ca -0.15 -2.00 -0.16 0.00 -1.18 0.00 0.00 61.69 58.20 2k3u s THR 66 Cb -0.17 -2.55 0.15 0.00 1.34 0.00 0.00 72.50 71.28 2k3u s THR 66 CO 0.05 0.00 0.39 -0.62 -0.54 0.00 0.00 174.62 173.91 2k3u n GLU 67 N -0.95 -1.66 -2.94 3.99 1.02 -0.71 -3.67 120.64 115.72 2k3u n GLU 67 Ca -0.08 -0.46 -0.21 0.00 -0.02 0.00 0.00 57.16 56.39 2k3u n GLU 67 Cb 0.66 -1.88 0.01 0.00 -0.02 0.00 0.00 31.44 30.21 2k3u n GLU 67 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 2k3u n ASN 68 N -2.69 -5.23 -2.56 1.62 3.02 -0.91 -2.93 115.26 105.58 2k3u n ASN 68 Ca 0.03 -0.21 -0.10 0.00 -0.03 0.00 0.00 54.58 54.26 2k3u n ASN 68 Cb 0.58 -4.28 -0.00 0.00 -0.61 0.00 0.00 39.78 35.47 2k3u n ASN 68 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2k3u n LYS 69 N -3.66 -2.53 -1.89 3.52 5.02 -0.18 -4.89 118.16 113.55 2k3u n LYS 69 Ca -0.11 0.42 -0.41 0.00 -2.02 0.00 0.00 58.31 56.19 2k3u n LYS 69 Cb 0.61 -5.00 -0.01 0.00 -0.02 0.00 0.00 35.03 30.61 2k3u n LYS 69 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 2k3u s GLY 70 N -2.10 2.80 -0.04 0.72 0.00 -1.15 -4.91 107.32 102.65 2k3u s GLY 70 Ca 0.04 1.48 -0.00 0.00 0.00 0.00 0.00 44.72 46.24 2k3u s GLY 70 CO 0.05 2.22 0.02 -0.47 0.00 0.00 0.00 173.10 174.92 2k3u s TYR 71 N -0.89 0.26 -0.07 1.90 6.14 -1.26 -2.08 117.35 121.35 2k3u s TYR 71 Ca 0.54 0.06 -0.06 0.00 0.64 0.00 0.00 57.07 58.25 2k3u s TYR 71 Cb -0.45 -0.46 0.02 0.00 0.42 0.00 0.00 41.96 41.50 2k3u s TYR 71 CO 0.57 -0.17 0.18 0.71 0.64 0.00 0.00 175.55 177.49 2k3u s TYR 72 N 1.44 -0.21 0.02 4.97 2.02 -0.79 -5.00 117.35 119.81 2k3u s TYR 72 Ca -0.04 0.52 0.06 0.00 -0.37 0.00 0.00 57.07 57.24 2k3u s TYR 72 Cb -0.13 0.04 -0.02 0.00 -0.40 0.00 0.00 41.96 41.45 2k3u s TYR 72 CO -0.03 -0.13 -0.17 -0.08 -1.57 0.00 0.00 175.55 173.58 2k3u s THR 73 N 0.42 1.34 -0.03 -0.71 -1.32 -1.26 -0.29 115.64 113.79 2k3u s THR 73 Ca -0.03 -0.96 -0.06 0.00 -1.21 0.00 0.00 61.69 59.44 2k3u s THR 73 Cb -0.04 -1.16 0.01 0.00 -1.51 0.00 0.00 72.50 69.79 2k3u s THR 73 CO -0.02 0.18 0.13 -0.69 -2.21 0.00 0.00 174.62 172.02 2k3u s VAL 74 N -0.68 0.04 0.55 5.08 1.01 -0.76 -5.00 120.40 120.65 2k3u s VAL 74 Ca 0.05 -0.35 -0.16 0.00 0.00 0.00 0.00 61.98 61.52 2k3u s VAL 74 Cb -0.08 -0.31 -0.06 0.00 0.00 0.00 0.00 36.38 35.93 2k3u s VAL 74 CO 0.01 -0.19 1.02 -0.31 0.00 0.00 0.00 175.10 175.63 2k3u s TYR 75 N -0.64 3.21 -0.12 5.22 1.51 -1.26 -1.42 117.35 123.85 2k3u s TYR 75 Ca -0.07 1.49 0.15 0.00 -1.01 0.00 0.00 57.07 57.63 2k3u s TYR 75 Cb -0.04 -2.91 -0.23 0.00 -0.11 0.00 0.00 41.96 38.67 2k3u s TYR 75 CO 0.01 -0.75 0.38 1.28 -1.11 0.00 0.00 175.55 175.36 2k3u n LEU 76 N -1.79 0.10 0.22 -1.29 4.77 0.27 -4.36 117.00 114.91 2k3u n LEU 76 Ca 0.08 -0.07 0.14 0.00 -0.03 0.00 0.00 56.01 56.13 2k3u n LEU 76 Cb 0.53 0.00 0.77 0.00 -2.33 0.00 0.00 43.42 42.39 2k3u n LEU 76 CO 0.47 0.02 1.12 0.78 -1.33 0.00 0.00 177.39 178.45 2k3u h ASN 77 N 0.00 0.00 -5.17 -1.43 2.35 -1.77 -3.45 115.58 106.11 2k3u h ASN 77 Ca 0.00 0.00 -0.10 0.00 -0.55 0.00 0.00 56.30 55.65 2k3u h ASN 77 Cb 0.66 0.00 -0.14 0.00 0.05 0.00 0.00 38.32 38.88 2k3u h ASN 77 CO 0.00 0.00 -0.45 0.42 -1.65 0.00 0.00 177.43 175.75 2k3u s THR 78 N -4.84 0.16 0.41 2.81 -4.23 -1.26 -5.17 115.64 103.53 2k3u s THR 78 Ca -0.05 -1.31 -0.23 0.00 -1.18 0.00 0.00 61.69 58.93 2k3u s THR 78 Cb 0.16 -1.34 -0.09 0.00 1.34 0.00 0.00 72.50 72.57 2k3u s THR 78 CO 0.62 -0.72 1.01 -2.16 -0.54 0.00 0.00 174.62 172.82 2k3u s PRO 79 N -3.77 4.16 0.88 3.99 0.04 -1.26 -4.74 135.00 134.30 2k3u s PRO 79 Ca 0.05 1.36 -0.11 0.00 0.04 0.00 0.00 61.00 62.34 2k3u s PRO 79 Cb 0.05 -2.40 0.12 0.00 0.04 0.00 0.00 34.50 32.31 2k3u s PRO 79 CO -0.10 -0.12 1.09 -0.48 0.04 0.00 0.00 177.00 177.43 2k3u s LEU 80 N -2.87 2.39 0.41 -3.56 2.34 -1.26 -5.02 118.68 111.12 2k3u s LEU 80 Ca 0.60 1.57 -0.25 0.00 0.06 0.00 0.00 54.13 56.11 2k3u s LEU 80 Cb -0.17 -4.04 -0.08 0.00 -0.56 0.00 0.00 46.19 41.34 2k3u s LEU 80 CO 0.22 -2.57 1.24 0.00 -1.06 0.00 0.00 176.35 174.18 2k3u s ALA 81 N -2.91 3.19 0.52 1.48 0.00 -1.26 -4.96 121.76 117.82 2k3u s ALA 81 Ca 0.63 1.11 0.34 0.00 0.00 0.00 0.00 51.96 54.05 2k3u s ALA 81 Cb -0.18 -3.44 1.88 0.00 0.00 0.00 0.00 23.12 21.38 2k3u s ALA 81 CO 0.57 -0.71 2.22 0.93 0.00 0.00 0.00 175.76 178.77 2k3u h GLU 82 N 2.60 0.00 -0.37 0.00 5.08 -1.99 -1.02 114.58 118.87 2k3u h GLU 82 Ca -0.49 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 57.77 2k3u h GLU 82 Cb 1.24 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.48 2k3u h GLU 82 CO 0.62 0.03 -0.17 -0.44 -1.00 0.00 0.00 179.01 178.06 2k3u h ASP 83 N 0.00 0.69 0.97 1.42 3.32 -2.00 -2.48 116.42 118.34 2k3u h ASP 83 Ca -0.00 -0.22 0.00 0.00 0.02 0.00 0.00 57.03 56.83 2k3u h ASP 83 Cb 0.14 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 39.51 2k3u h ASP 83 CO 0.00 0.87 0.00 0.54 -1.72 0.00 0.00 179.24 178.94 2k3u n ARG 84 N -4.14 0.18 0.10 3.56 1.74 -0.42 -1.69 116.66 115.99 2k3u n ARG 84 Ca 0.01 0.31 0.12 0.00 -0.77 0.00 0.00 57.85 57.51 2k3u n ARG 84 Cb 0.39 -1.78 0.46 0.00 -1.02 0.00 0.00 32.46 30.50 2k3u n ARG 84 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 2k3u n LYS 85 N -2.12 0.18 -0.00 5.56 5.02 -0.94 -1.43 118.16 124.43 2k3u n LYS 85 Ca 0.04 0.32 0.05 0.00 -2.02 0.00 0.00 58.31 56.70 2k3u n LYS 85 Cb 0.30 -1.79 -0.08 0.00 -0.02 0.00 0.00 35.03 33.44 2k3u n LYS 85 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2k3u n ASN 86 N -2.11 2.47 -4.73 4.39 4.13 -0.68 -4.48 115.26 114.24 2k3u n ASN 86 Ca 0.03 -0.06 -0.42 0.00 1.68 0.00 0.00 54.58 55.82 2k3u n ASN 86 Cb 0.28 1.43 -0.03 0.00 -1.54 0.00 0.00 39.78 39.93 2k3u n ASN 86 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 2k3u s VAL 87 N -2.65 2.63 0.03 2.41 0.11 -0.91 -4.98 120.40 117.04 2k3u s VAL 87 Ca -0.03 0.49 -0.30 0.00 -2.93 0.00 0.00 61.98 59.20 2k3u s VAL 87 Cb 0.07 -3.31 -0.06 0.00 -1.53 0.00 0.00 36.38 31.54 2k3u s VAL 87 CO 0.43 0.06 1.47 -1.61 -3.33 0.00 0.00 175.10 172.11 2k3u s GLU 88 N 0.40 4.26 0.11 1.54 0.41 -1.26 -3.56 118.70 120.60 2k3u s GLU 88 Ca 0.65 2.08 -0.31 0.00 -0.41 0.00 0.00 54.97 56.97 2k3u s GLU 88 Cb -0.43 -3.55 -0.09 0.00 -1.78 0.00 0.00 34.13 28.28 2k3u s GLU 88 CO 0.37 -0.61 1.60 -0.51 -0.49 0.00 0.00 175.26 175.62 2k3u s LEU 89 N 2.35 4.37 0.44 1.80 1.43 -0.46 -4.93 118.68 123.68 2k3u s LEU 89 Ca 0.67 2.53 0.11 0.00 -1.03 0.00 0.00 54.13 56.41 2k3u s LEU 89 Cb -0.34 -3.58 0.99 0.00 0.03 0.00 0.00 46.19 43.29 2k3u s LEU 89 CO 0.28 -0.84 2.05 -0.07 0.23 0.00 0.00 176.35 178.00 2k3u h LEU 90 N 7.65 0.35 0.00 1.79 3.38 -1.91 -3.47 115.31 123.09 2k3u h LEU 90 Ca -0.42 -0.00 0.11 0.00 0.09 0.00 0.00 57.88 57.65 2k3u h LEU 90 Cb 1.20 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.85 2k3u h LEU 90 CO 0.92 0.24 0.33 0.61 0.09 0.00 0.00 178.44 180.63 2k3u n GLY 91 N -1.50 0.79 3.75 0.83 0.00 -1.23 -4.57 105.19 103.26 2k3u n GLY 91 Ca 0.04 -1.00 -0.37 0.00 0.00 0.00 0.00 46.02 44.70 2k3u n GLY 91 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k3u s LYS 92 N -2.02 3.02 -0.90 1.61 3.01 -1.26 -4.46 119.74 118.74 2k3u s LYS 92 Ca 0.12 1.95 -0.11 0.00 -1.01 0.00 0.00 55.97 56.92 2k3u s LYS 92 Cb -0.01 -2.04 -0.08 0.00 -1.01 0.00 0.00 37.83 34.69 2k3u s LYS 92 CO 0.02 -1.20 2.06 -0.12 0.51 0.00 0.00 175.35 176.62 2k3u n MET 93 N -1.40 1.94 -0.36 1.68 1.56 -0.60 -1.74 117.12 118.20 2k3u n MET 93 Ca 0.13 -1.63 0.05 0.00 -0.27 0.00 0.00 57.70 55.97 2k3u n MET 93 Cb 0.48 -2.64 0.22 0.00 2.15 0.00 0.00 33.22 33.43 2k3u n MET 93 CO 0.00 0.00 0.00 -0.92 -0.73 0.00 0.00 175.97 174.32 2k3u h TYR 94 N 6.81 1.15 -3.93 1.12 3.20 -0.46 -3.08 116.97 121.79 2k3u h TYR 94 Ca 0.48 0.03 -0.11 0.00 3.14 0.00 0.00 58.73 62.27 2k3u h TYR 94 Cb 0.35 -0.37 -0.15 0.00 1.54 0.00 0.00 36.73 38.09 2k3u h TYR 94 CO 1.70 0.53 -0.50 0.15 -1.64 0.00 0.00 178.16 178.40 2k3u s LYS 95 N -5.98 0.71 0.01 1.82 3.01 -0.51 -1.93 119.74 116.87 2k3u s LYS 95 Ca -0.12 -0.98 -0.03 0.00 -1.01 0.00 0.00 55.97 53.83 2k3u s LYS 95 Cb 0.21 0.27 -0.01 0.00 -1.01 0.00 0.00 37.83 37.29 2k3u s LYS 95 CO 0.81 -0.19 0.03 0.99 0.51 0.00 0.00 175.35 177.50 2k3u s THR 96 N -3.55 0.09 0.07 2.17 2.01 -0.15 -0.97 115.64 115.31 2k3u s THR 96 Ca 0.03 -0.76 0.05 0.00 0.31 0.00 0.00 61.69 61.32 2k3u s THR 96 Cb 0.04 -0.30 -0.03 0.00 0.01 0.00 0.00 72.50 72.22 2k3u s THR 96 CO -0.09 -0.42 -0.13 -0.31 -0.69 0.00 0.00 174.62 172.98 2k3u s TYR 97 N -1.31 1.14 0.01 4.92 2.02 0.21 -1.08 117.35 123.26 2k3u s TYR 97 Ca -0.14 -0.47 0.00 0.00 -0.37 0.00 0.00 57.07 56.09 2k3u s TYR 97 Cb -0.08 -0.64 -0.01 0.00 -0.40 0.00 0.00 41.96 40.83 2k3u s TYR 97 CO -0.00 0.04 -0.02 -0.06 -1.57 0.00 0.00 175.55 173.94 2k3u s PHE 98 N -1.33 0.17 0.00 2.71 0.40 0.22 -0.92 117.98 119.22 2k3u s PHE 98 Ca -0.03 -0.23 0.03 0.00 -0.60 0.00 0.00 56.93 56.10 2k3u s PHE 98 Cb -0.10 -0.12 -0.01 0.00 0.51 0.00 0.00 43.02 43.31 2k3u s PHE 98 CO 0.02 -0.08 -0.10 -0.06 0.70 0.00 0.00 175.22 175.70 2k3u s PHE 99 N -0.63 0.89 0.52 0.36 0.40 -0.88 -2.11 117.98 116.54 2k3u s PHE 99 Ca -0.06 -0.20 -0.06 0.00 -0.60 0.00 0.00 56.93 56.00 2k3u s PHE 99 Cb -0.04 -0.56 -0.03 0.00 0.51 0.00 0.00 43.02 42.89 2k3u s PHE 99 CO -0.00 -0.01 0.85 0.15 0.70 0.00 0.00 175.22 176.90 2k3u s LYS 100 N -0.41 3.46 -0.86 0.44 3.01 -1.26 -0.65 119.74 123.46 2k3u s LYS 100 Ca 0.03 0.27 -0.20 0.00 -1.01 0.00 0.00 55.97 55.06 2k3u s LYS 100 Cb -0.05 -2.30 -0.21 0.00 -1.01 0.00 0.00 37.83 34.26 2k3u s LYS 100 CO -0.00 -0.35 2.32 1.63 0.51 0.00 0.00 175.35 179.46 2k3u n LYS 101 N -2.40 0.35 0.00 1.68 5.02 -0.11 -1.15 118.16 121.55 2k3u n LYS 101 Ca 0.02 -0.55 0.00 0.00 -2.02 0.00 0.00 58.31 55.76 2k3u n LYS 101 Cb 0.55 -2.73 0.00 0.00 -0.02 0.00 0.00 35.03 32.83 2k3u n LYS 101 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2k3u n GLY 102 N 6.34 1.15 3.88 0.72 0.00 -1.26 -5.09 105.19 110.93 2k3u n GLY 102 Ca 0.54 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.35 2k3u n GLY 102 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2k3u s GLU 103 N -0.16 2.97 0.00 1.61 8.01 -0.30 -5.07 118.70 125.76 2k3u s GLU 103 Ca 0.00 -1.08 0.00 0.00 0.01 0.00 0.00 54.97 53.90 2k3u s GLU 103 Cb 0.00 -2.62 0.00 0.00 -4.31 0.00 0.00 34.13 27.20 2k3u s GLU 103 CO 0.00 0.26 0.66 -1.13 0.01 0.00 0.00 175.26 175.06 2k3u n SER 104 N -1.34 0.00 -4.04 -0.19 3.41 -1.26 -4.64 113.62 105.56 2k3u n SER 104 Ca -0.05 -1.37 -0.18 0.00 -0.26 0.00 0.00 58.87 57.01 2k3u n SER 104 Cb 0.58 -0.07 -0.14 0.00 -0.26 0.00 0.00 64.21 64.32 2k3u n SER 104 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 2k3u s LYS 105 N 0.00 0.70 0.92 4.33 2.20 -1.26 -5.14 119.74 121.49 2k3u s LYS 105 Ca 0.00 -0.43 -0.11 0.00 -0.36 0.00 0.00 55.97 55.07 2k3u s LYS 105 Cb 0.00 -0.65 0.15 0.00 -1.51 0.00 0.00 37.83 35.81 2k3u s LYS 105 CO 0.00 0.17 1.11 -1.54 -0.36 0.00 0.00 175.35 174.73 2k3u s SER 106 N -0.52 3.04 0.00 1.43 1.04 -1.26 -4.77 113.70 112.66 2k3u s SER 106 Ca 0.01 1.88 0.00 0.00 0.48 0.00 0.00 55.95 58.32 2k3u s SER 106 Cb -0.05 -2.45 0.00 0.00 0.10 0.00 0.00 66.02 63.63 2k3u s SER 106 CO 0.00 -2.97 0.00 -0.24 0.98 0.00 0.00 173.24 171.01 2k3u n SER 107 N -4.13 0.02 -3.93 7.02 2.88 -0.90 -5.01 113.62 109.56 2k3u n SER 107 Ca 0.09 -0.18 -0.15 0.00 -1.33 0.00 0.00 58.87 57.31 2k3u n SER 107 Cb 0.53 0.36 -0.14 0.00 -0.75 0.00 0.00 64.21 64.20 2k3u n SER 107 CO 0.00 0.00 0.00 -0.47 -1.23 0.00 0.00 175.04 173.34 2k3u s TYR 108 N -0.36 0.33 0.02 0.66 5.04 -1.22 -5.05 117.35 116.78 2k3u s TYR 108 Ca 0.00 -0.07 -0.23 0.00 -2.44 0.00 0.00 57.07 54.34 2k3u s TYR 108 Cb 0.00 -0.22 0.05 0.00 0.35 0.00 0.00 41.96 42.15 2k3u s TYR 108 CO 0.00 -0.01 0.52 0.54 -1.34 0.00 0.00 175.55 175.26 2k3u s VAL 109 N -0.10 0.03 -0.04 3.14 0.11 -1.26 -0.61 120.40 121.66 2k3u s VAL 109 Ca 0.01 -0.24 -0.02 0.00 -2.93 0.00 0.00 61.98 58.80 2k3u s VAL 109 Cb -0.02 -0.94 0.03 0.00 -1.53 0.00 0.00 36.38 33.92 2k3u s VAL 109 CO -0.00 -0.13 0.10 -0.63 -3.33 0.00 0.00 175.10 171.11 2k3u s ILE 110 N -2.10 -0.04 0.01 7.04 1.01 -0.24 -4.98 121.20 121.91 2k3u s ILE 110 Ca -0.07 0.13 -0.10 0.00 0.00 0.00 0.00 60.65 60.61 2k3u s ILE 110 Cb -0.01 -0.17 -0.05 0.00 0.01 0.00 0.00 42.46 42.24 2k3u s ILE 110 CO 0.01 0.05 0.33 0.20 0.00 0.00 0.00 174.94 175.54 2k3u s ASN 111 N 0.80 6.62 0.00 3.58 0.01 -1.26 -0.98 114.94 123.71 2k3u s ASN 111 Ca -0.06 0.73 0.00 0.00 -0.71 0.00 0.00 52.86 52.82 2k3u s ASN 111 Cb -0.09 -2.16 0.00 0.00 0.41 0.00 0.00 41.25 39.42 2k3u s ASN 111 CO -0.03 0.27 0.00 0.61 -1.51 0.00 0.00 177.10 176.43 2k3u n GLY 112 N 1.36 3.38 3.76 0.66 0.00 -0.81 -4.97 105.19 108.58 2k3u n GLY 112 Ca -0.12 -1.44 -0.38 0.00 0.00 0.00 0.00 46.02 44.08 2k3u n GLY 112 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2k3u s PRO 113 N -1.94 3.67 0.00 1.61 0.04 -1.23 -4.36 135.00 132.79 2k3u s PRO 113 Ca 0.00 2.00 0.00 0.00 0.04 0.00 0.00 61.00 63.04 2k3u s PRO 113 Cb 0.00 -2.48 0.00 0.00 0.04 0.00 0.00 34.50 32.06 2k3u s PRO 113 CO 0.00 -0.69 0.00 0.41 0.04 0.00 0.00 177.00 176.76 2k3u n GLY 114 N 0.59 1.08 4.97 0.56 0.00 -1.26 -0.92 105.19 110.20 2k3u n GLY 114 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 2k3u n GLY 114 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2k3u n LYS 115 N 0.00 0.00 -3.57 1.61 4.81 -1.26 -4.78 118.16 114.97 2k3u n LYS 115 Ca 0.00 0.00 -0.07 0.00 -0.87 0.00 0.00 58.31 57.37 2k3u n LYS 115 Cb 0.00 -3.51 -0.03 0.00 0.02 0.00 0.00 35.03 31.51 2k3u n LYS 115 CO 0.00 0.00 0.00 -0.08 1.17 0.00 0.00 177.40 178.49 2k3u s THR 116 N -0.19 0.00 -0.36 3.15 -1.32 -1.26 -5.02 115.64 110.63 2k3u s THR 116 Ca 0.00 0.00 0.24 0.00 -1.21 0.00 0.00 61.69 60.72 2k3u s THR 116 Cb 0.00 -1.00 0.33 0.00 -1.51 0.00 0.00 72.50 70.32 2k3u s THR 116 CO 0.00 0.00 1.64 0.78 -2.21 0.00 0.00 174.62 174.83 2k3u h ASN 117 N 2.10 0.00 0.00 8.08 -0.26 -1.87 -3.31 115.58 120.32 2k3u h ASN 117 Ca -0.15 0.00 -0.62 0.00 -0.56 0.00 0.00 56.30 54.97 2k3u h ASN 117 Cb 1.19 0.00 0.03 0.00 -1.06 0.00 0.00 38.32 38.48 2k3u h ASN 117 CO 0.27 0.03 2.47 -0.62 -1.06 0.00 0.00 177.43 178.52 2k3u n GLU 118 N -3.11 1.79 -2.38 0.81 1.02 -1.26 -1.01 120.64 116.50 2k3u n GLU 118 Ca 0.03 -1.89 -0.16 0.00 -0.02 0.00 0.00 57.16 55.13 2k3u n GLU 118 Cb 0.52 -2.89 -0.01 0.00 -0.02 0.00 0.00 31.44 29.03 2k3u n GLU 118 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 2k3u n TYR 119 N 6.77 -1.19 -4.50 -0.32 4.01 -1.26 -3.78 117.16 116.89 2k3u n TYR 119 Ca 0.50 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.82 2k3u n TYR 119 Cb 0.36 -3.25 -0.07 0.00 -0.31 0.00 0.00 39.34 36.07 2k3u n TYR 119 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2k3u n ALA 120 N -1.99 -1.25 -1.35 -0.72 0.00 -1.26 -4.83 120.51 109.11 2k3u n ALA 120 Ca -0.19 -0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.06 2k3u n ALA 120 Cb 0.64 -2.57 0.00 0.00 0.00 0.00 0.00 19.45 17.51 2k3u n ALA 120 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48