#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k3u n SER 32 N 0.00 0.00 0.00 6.41 7.64 -1.26 -5.15 113.62 121.26 2k3u n SER 32 Ca 0.00 -1.00 0.00 0.00 1.01 0.00 0.00 58.87 58.88 2k3u n SER 32 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 2k3u n SER 32 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2k3u n GLY 33 N 0.00 -0.53 2.93 0.23 0.00 -1.26 -5.18 105.19 101.38 2k3u n GLY 33 Ca 0.00 -1.15 -0.11 0.00 0.00 0.00 0.00 46.02 44.77 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 2.10 0.35 0.99 1.43 -1.26 -5.15 118.68 117.14 2k3u s LEU 34 Ca 0.00 -0.24 -0.27 0.00 -1.03 0.00 0.00 54.13 52.58 2k3u s LEU 34 Cb 0.00 0.07 -0.09 0.00 0.03 0.00 0.00 46.19 46.20 2k3u s LEU 34 CO 0.00 -0.15 1.22 -2.16 0.23 0.00 0.00 176.35 175.48 2k3u s PRO 35 N -0.74 4.28 -0.02 1.29 0.04 -1.26 -4.96 135.00 133.63 2k3u s PRO 35 Ca -0.08 2.00 0.03 0.00 0.04 0.00 0.00 61.00 62.99 2k3u s PRO 35 Cb -0.05 -2.94 0.05 0.00 0.04 0.00 0.00 34.50 31.60 2k3u s PRO 35 CO -0.00 -0.18 0.99 -2.37 0.04 0.00 0.00 177.00 175.48 2k3u n THR 36 N 0.58 0.31 -3.67 1.26 5.66 -1.26 -4.98 114.28 112.19 2k3u n THR 36 Ca 0.01 -0.37 -0.35 0.00 -3.05 0.00 0.00 64.05 60.30 2k3u n THR 36 Cb 0.44 0.42 -0.05 0.00 -1.55 0.00 0.00 70.33 69.59 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 -0.46 5.20 0.27 1.09 -4.23 -1.26 -0.89 115.64 115.35 2k3u s THR 37 Ca 0.05 0.31 -0.00 0.00 -1.18 0.00 0.00 61.69 60.86 2k3u s THR 37 Cb 0.04 -3.61 0.25 0.00 1.34 0.00 0.00 72.50 70.53 2k3u s THR 37 CO 0.00 0.33 1.80 0.25 -0.54 0.00 0.00 174.62 176.46 2k3u h LEU 38 N 3.84 0.71 -1.10 4.79 6.46 -1.17 -2.68 115.31 126.18 2k3u h LEU 38 Ca -0.49 0.07 0.03 0.00 -0.12 0.00 0.00 57.88 57.36 2k3u h LEU 38 Cb 1.19 -0.06 -0.05 0.00 -0.73 0.00 0.00 40.66 41.01 2k3u h LEU 38 CO 0.66 0.35 0.61 1.23 -0.62 0.00 0.00 178.44 180.67 2k3u h GLY 39 N 0.79 1.33 1.48 3.75 0.00 -1.03 0.13 103.07 109.52 2k3u h GLY 39 Ca 0.47 -0.47 -0.25 0.00 0.00 0.00 0.00 47.33 47.08 2k3u h GLY 39 CO -0.31 0.43 -1.08 0.50 0.00 0.00 0.00 176.54 176.08 2k3u h LYS 40 N 1.20 0.44 -0.57 4.80 1.57 -1.69 -2.72 116.57 119.59 2k3u h LYS 40 Ca 0.36 -0.55 0.02 0.00 -1.87 0.00 0.00 60.65 58.61 2k3u h LYS 40 Cb -0.05 0.17 -0.03 0.00 0.08 0.00 0.00 32.23 32.40 2k3u h LYS 40 CO -0.10 1.20 0.36 1.25 -0.57 0.00 0.00 179.45 181.60 2k3u h LEU 41 N 0.21 0.61 -0.80 2.94 5.85 -1.30 -2.83 115.31 120.00 2k3u h LEU 41 Ca -0.12 -0.01 0.09 0.00 0.84 0.00 0.00 57.88 58.68 2k3u h LEU 41 Cb 1.74 -0.14 -0.07 0.00 0.37 0.00 0.00 40.66 42.56 2k3u h LEU 41 CO 0.19 0.44 0.46 -0.78 -0.34 0.00 0.00 178.44 178.40 2k3u h ASP 42 N 0.73 0.66 -0.41 1.25 1.82 -0.65 0.20 116.42 120.02 2k3u h ASP 42 Ca 0.22 0.04 -0.06 0.00 -0.39 0.00 0.00 57.03 56.84 2k3u h ASP 42 Cb -0.03 -0.08 -0.02 0.00 0.68 0.00 0.00 39.33 39.87 2k3u h ASP 42 CO -0.07 0.39 0.05 -0.08 -1.61 0.00 0.00 179.24 177.91 2k3u h GLU 43 N 0.78 0.78 -0.31 0.28 4.81 -1.41 -0.54 114.58 118.97 2k3u h GLU 43 Ca 0.38 -0.18 -0.12 0.00 -0.13 0.00 0.00 59.36 59.31 2k3u h GLU 43 Cb 0.33 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.60 2k3u h GLU 43 CO -0.24 0.75 -0.26 -0.09 -0.73 0.00 0.00 179.01 178.44 2k3u h ARG 44 N 0.74 0.72 -0.55 1.92 2.43 -1.02 -2.83 114.38 115.78 2k3u h ARG 44 Ca 0.15 -0.37 -0.10 0.00 -0.81 0.00 0.00 59.98 58.86 2k3u h ARG 44 Cb 0.38 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.91 2k3u h ARG 44 CO 0.01 0.98 -0.05 -0.07 -1.51 0.00 0.00 179.97 179.33 2k3u h LEU 45 N 0.48 0.97 -1.52 3.80 3.38 -0.30 0.14 115.31 122.26 2k3u h LEU 45 Ca 0.05 -0.29 -0.04 0.00 0.09 0.00 0.00 57.88 57.69 2k3u h LEU 45 Cb 0.83 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.31 2k3u h LEU 45 CO 0.07 1.05 -0.14 0.03 0.09 0.00 0.00 178.44 179.55 2k3u h ARG 46 N 0.89 0.14 -0.25 1.13 3.08 -1.19 -1.32 114.38 116.86 2k3u h ARG 46 Ca 0.15 -0.03 -0.15 0.00 0.07 0.00 0.00 59.98 60.03 2k3u h ARG 46 Cb 0.59 -0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.62 2k3u h ARG 46 CO 0.04 0.28 -0.42 -0.91 -1.07 0.00 0.00 179.97 177.89 2k3u h ASN 47 N 0.13 0.80 -0.28 7.04 2.35 -1.12 -3.07 115.58 121.43 2k3u h ASN 47 Ca 0.03 -0.53 0.04 0.00 -0.55 0.00 0.00 56.30 55.29 2k3u h ASN 47 Cb 0.33 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.46 2k3u h ASN 47 CO 0.02 1.18 0.19 1.88 -1.65 0.00 0.00 177.43 179.05 2k3u h TYR 48 N 0.46 0.22 0.08 1.19 0.05 0.00 0.15 116.97 119.12 2k3u h TYR 48 Ca 0.02 0.01 -0.00 0.00 0.05 0.00 0.00 58.73 58.80 2k3u h TYR 48 Cb 1.02 -0.07 0.00 0.00 1.01 0.00 0.00 36.73 38.69 2k3u h TYR 48 CO 0.08 0.12 -0.04 -0.07 -1.05 0.00 0.00 178.16 177.21 2k3u h LEU 49 N 0.22 -0.09 -0.34 3.88 3.38 -1.29 -1.53 115.31 119.55 2k3u h LEU 49 Ca 0.12 -0.26 -0.04 0.00 0.09 0.00 0.00 57.88 57.79 2k3u h LEU 49 Cb 0.21 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 2k3u h LEU 49 CO -0.02 0.21 0.05 0.11 0.09 0.00 0.00 178.44 178.88 2k3u h LYS 50 N -0.40 0.56 0.00 1.13 1.57 -1.31 -0.04 116.57 118.09 2k3u h LYS 50 Ca -0.01 -0.15 -0.01 0.00 -1.87 0.00 0.00 60.65 58.61 2k3u h LYS 50 Cb 0.34 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 32.58 2k3u h LYS 50 CO 0.02 0.65 -0.04 0.87 -0.57 0.00 0.00 179.45 180.38 2k3u h LYS 51 N 0.40 0.00 0.00 3.15 1.79 -1.10 -3.36 116.57 117.45 2k3u h LYS 51 Ca 0.10 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.57 2k3u h LYS 51 Cb 0.36 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.01 2k3u h LYS 51 CO 0.01 0.04 0.00 0.41 -1.08 0.00 0.00 179.45 178.83 2k3u n GLY 52 N -1.26 -0.25 3.20 3.86 0.00 -0.57 -5.05 105.19 105.12 2k3u n GLY 52 Ca -0.03 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.32 1.01 0.41 2.61 -4.23 -0.06 -4.99 115.64 110.07 2k3u s THR 53 Ca 0.00 -1.78 0.11 0.00 -1.18 0.00 0.00 61.69 58.84 2k3u s THR 53 Cb 0.00 -1.53 0.17 0.00 1.34 0.00 0.00 72.50 72.48 2k3u s THR 53 CO 0.00 -0.63 1.95 0.11 -0.54 0.00 0.00 174.62 175.52 2k3u h LYS 54 N 3.30 0.15 0.00 3.99 1.57 -1.90 -3.38 116.57 120.29 2k3u h LYS 54 Ca -0.37 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.38 2k3u h LYS 54 Cb 1.19 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.48 2k3u h LYS 54 CO 0.57 0.29 -0.51 0.09 -0.57 0.00 0.00 179.45 179.32 2k3u n ASN 55 N -4.30 2.54 -2.96 0.86 3.02 -1.26 -5.06 115.26 108.10 2k3u n ASN 55 Ca -0.01 0.00 -0.11 0.00 -0.03 0.00 0.00 54.58 54.43 2k3u n ASN 55 Cb 0.25 0.47 -0.02 0.00 -0.61 0.00 0.00 39.78 39.87 2k3u n ASN 55 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 2k3u n SER 56 N -0.83 -1.58 0.00 6.41 3.41 -1.26 -4.69 113.62 115.07 2k3u n SER 56 Ca 0.00 0.07 0.00 0.00 -0.26 0.00 0.00 58.87 58.68 2k3u n SER 56 Cb 0.04 -1.45 0.00 0.00 -0.26 0.00 0.00 64.21 62.54 2k3u n SER 56 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2k3u n ALA 57 N -2.85 0.09 0.32 7.33 0.00 -1.26 -4.79 120.51 119.34 2k3u n ALA 57 Ca 0.01 0.00 0.16 0.00 0.00 0.00 0.00 53.44 53.61 2k3u n ALA 57 Cb 0.50 0.00 0.64 0.00 0.00 0.00 0.00 19.45 20.60 2k3u n ALA 57 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.50 176.94 2k3u h GLN 58 N 0.00 0.00 -7.10 0.00 -0.00 -1.98 -3.46 115.11 102.57 2k3u h GLN 58 Ca 0.00 0.00 -0.46 0.00 -0.00 0.00 0.00 58.65 58.19 2k3u h GLN 58 Cb 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 27.48 27.49 2k3u h GLN 58 CO 0.00 0.00 0.36 -0.06 -0.00 0.00 0.00 178.83 179.13 2k3u s PHE 59 N -3.58 3.22 0.00 0.06 0.08 -1.26 -1.46 117.98 115.03 2k3u s PHE 59 Ca 0.02 1.56 0.00 0.00 0.12 0.00 0.00 56.93 58.63 2k3u s PHE 59 Cb 0.09 -2.92 0.00 0.00 -0.57 0.00 0.00 43.02 39.62 2k3u s PHE 59 CO 0.49 -0.47 0.00 -0.85 -0.10 0.00 0.00 175.22 174.29 2k3u n GLU 60 N -1.06 2.98 -3.91 0.44 0.28 -0.13 -4.70 120.64 114.54 2k3u n GLU 60 Ca 0.08 0.00 -0.08 0.00 -0.16 0.00 0.00 57.16 56.99 2k3u n GLU 60 Cb 0.53 -0.91 -0.04 0.00 1.43 0.00 0.00 31.44 32.45 2k3u n GLU 60 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 177.13 175.38 2k3u s LYS 61 N -1.80 1.62 0.05 3.44 -2.85 -1.24 -0.19 119.74 118.77 2k3u s LYS 61 Ca 0.00 -1.10 -0.08 0.00 -1.00 0.00 0.00 55.97 53.79 2k3u s LYS 61 Cb 0.00 0.53 -0.00 0.00 -2.06 0.00 0.00 37.83 36.30 2k3u s LYS 61 CO 0.00 -0.70 0.17 0.00 0.10 0.00 0.00 175.35 174.91 2k3u s MET 62 N -3.96 0.71 -0.04 1.78 0.23 -0.07 -2.57 119.30 115.39 2k3u s MET 62 Ca 0.16 -0.77 -0.05 0.00 -1.03 0.00 0.00 55.69 54.00 2k3u s MET 62 Cb -0.03 0.29 0.01 0.00 -1.53 0.00 0.00 34.83 33.57 2k3u s MET 62 CO 0.07 -0.21 0.12 0.54 -2.03 0.00 0.00 175.02 173.51 2k3u s VAL 63 N -3.00 0.02 -0.10 5.16 0.11 -0.27 -1.05 120.40 121.27 2k3u s VAL 63 Ca -0.02 -0.16 0.01 0.00 -2.93 0.00 0.00 61.98 58.89 2k3u s VAL 63 Cb 0.01 -0.23 0.02 0.00 -1.53 0.00 0.00 36.38 34.65 2k3u s VAL 63 CO -0.06 -0.09 -0.12 -0.63 -3.33 0.00 0.00 175.10 170.87 2k3u s ILE 64 N -0.24 1.26 -0.11 7.04 1.01 0.23 -0.69 121.20 129.70 2k3u s ILE 64 Ca -0.03 -0.49 0.03 0.00 0.00 0.00 0.00 60.65 60.15 2k3u s ILE 64 Cb -0.02 -1.19 -0.00 0.00 0.01 0.00 0.00 42.46 41.26 2k3u s ILE 64 CO 0.00 0.40 -0.21 -0.76 0.00 0.00 0.00 174.94 174.37 2k3u s LEU 65 N 1.12 2.25 0.43 2.97 1.43 -0.38 -1.50 118.68 124.99 2k3u s LEU 65 Ca -0.05 -0.51 0.06 0.00 -1.03 0.00 0.00 54.13 52.60 2k3u s LEU 65 Cb -0.14 -1.47 -0.07 0.00 0.03 0.00 0.00 46.19 44.55 2k3u s LEU 65 CO -0.02 0.15 0.03 0.42 0.23 0.00 0.00 176.35 177.16 2k3u s THR 66 N 0.43 1.91 0.94 5.49 -4.23 -0.98 -2.16 115.64 117.03 2k3u s THR 66 Ca -0.15 -1.96 -0.13 0.00 -1.18 0.00 0.00 61.69 58.28 2k3u s THR 66 Cb -0.17 -2.86 0.04 0.00 1.34 0.00 0.00 72.50 70.85 2k3u s THR 66 CO 0.07 0.00 0.47 -0.62 -0.54 0.00 0.00 174.62 173.99 2k3u n GLU 67 N -1.06 -0.29 -2.64 3.99 1.02 -0.76 -3.88 120.64 117.02 2k3u n GLU 67 Ca -0.07 -0.04 -0.16 0.00 -0.02 0.00 0.00 57.16 56.88 2k3u n GLU 67 Cb 0.67 -1.90 0.02 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 -1.52 -4.74 -3.14 1.62 3.02 -0.97 -2.73 115.26 106.80 2k3u n ASN 68 Ca 0.07 -0.15 -0.22 0.00 -0.03 0.00 0.00 54.58 54.26 2k3u n ASN 68 Cb 0.53 -3.68 0.06 0.00 -0.61 0.00 0.00 39.78 36.08 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 -2.89 -6.27 -3.09 3.52 5.02 0.20 -4.82 118.16 109.83 2k3u n LYS 69 Ca -0.11 0.80 -0.38 0.00 -2.02 0.00 0.00 58.31 56.60 2k3u n LYS 69 Cb 0.60 -5.61 -0.06 0.00 -0.02 0.00 0.00 35.03 29.94 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 -3.07 2.78 -0.02 0.72 0.00 -1.24 -5.00 107.32 101.48 2k3u s GLY 70 Ca 0.44 0.22 -0.00 0.00 0.00 0.00 0.00 44.72 45.38 2k3u s GLY 70 CO 0.54 0.67 0.03 -0.47 0.00 0.00 0.00 173.10 173.88 2k3u s TYR 71 N -1.23 0.09 -0.02 1.90 6.14 -1.26 -2.33 117.35 120.65 2k3u s TYR 71 Ca 0.35 0.12 -0.01 0.00 0.64 0.00 0.00 57.07 58.18 2k3u s TYR 71 Cb -0.21 -0.31 0.02 0.00 0.42 0.00 0.00 41.96 41.88 2k3u s TYR 71 CO 0.23 -0.11 0.03 0.71 0.64 0.00 0.00 175.55 177.05 2k3u s TYR 72 N 1.23 -0.01 -0.02 4.97 2.02 -0.56 -4.99 117.35 119.99 2k3u s TYR 72 Ca -0.07 0.12 0.07 0.00 -0.37 0.00 0.00 57.07 56.82 2k3u s TYR 72 Cb -0.13 -0.11 -0.02 0.00 -0.40 0.00 0.00 41.96 41.31 2k3u s TYR 72 CO -0.03 -0.06 -0.23 -0.08 -1.57 0.00 0.00 175.55 173.58 2k3u s THR 73 N 0.57 1.82 -0.07 -0.71 -1.32 -1.26 -0.60 115.64 114.07 2k3u s THR 73 Ca -0.05 -0.98 -0.04 0.00 -1.21 0.00 0.00 61.69 59.42 2k3u s THR 73 Cb -0.07 -1.51 0.04 0.00 -1.51 0.00 0.00 72.50 69.45 2k3u s THR 73 CO -0.02 0.51 0.17 -0.69 -2.21 0.00 0.00 174.62 172.38 2k3u s VAL 74 N -0.50 -0.04 0.19 5.08 1.01 -0.22 -5.01 120.40 120.92 2k3u s VAL 74 Ca 0.08 0.14 -0.29 0.00 0.00 0.00 0.00 61.98 61.91 2k3u s VAL 74 Cb -0.09 -0.26 -0.08 0.00 0.00 0.00 0.00 36.38 35.94 2k3u s VAL 74 CO -0.00 0.06 0.90 -0.31 0.00 0.00 0.00 175.10 175.74 2k3u s TYR 75 N 0.98 3.92 -0.69 5.22 2.02 -1.26 -0.89 117.35 126.65 2k3u s TYR 75 Ca -0.07 1.80 0.24 0.00 -0.37 0.00 0.00 57.07 58.67 2k3u s TYR 75 Cb -0.09 -2.94 0.30 0.00 -0.40 0.00 0.00 41.96 38.83 2k3u s TYR 75 CO -0.05 0.41 1.26 1.28 -1.57 0.00 0.00 175.55 176.88 2k3u n LEU 76 N 1.85 0.64 0.10 -1.29 4.77 0.73 -4.02 117.00 119.78 2k3u n LEU 76 Ca -0.02 0.13 0.18 0.00 -0.03 0.00 0.00 56.01 56.27 2k3u n LEU 76 Cb 0.48 -0.17 0.73 0.00 -2.33 0.00 0.00 43.42 42.12 2k3u n LEU 76 CO 0.49 0.00 1.16 0.78 -1.33 0.00 0.00 177.39 178.49 2k3u h ASN 77 N 0.00 0.00 -5.32 -1.43 2.35 -1.81 -3.45 115.58 105.92 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 0.70 0.00 -0.11 0.00 0.05 0.00 0.00 38.32 38.96 2k3u h ASN 77 CO 0.00 0.00 -0.25 0.42 -1.65 0.00 0.00 177.43 175.95 2k3u s THR 78 N -4.88 0.01 0.57 2.81 -4.23 -1.26 -5.17 115.64 103.49 2k3u s THR 78 Ca -0.05 -1.52 -0.18 0.00 -1.18 0.00 0.00 61.69 58.76 2k3u s THR 78 Cb 0.18 -2.21 -0.05 0.00 1.34 0.00 0.00 72.50 71.76 2k3u s THR 78 CO 0.66 -0.04 1.12 -2.84 -0.54 0.00 0.00 174.62 172.98 2k3u s PRO 79 N -4.04 3.25 0.57 3.99 0.02 -1.26 -4.81 135.00 132.72 2k3u s PRO 79 Ca 0.25 1.53 -0.15 0.00 0.02 0.00 0.00 61.00 62.64 2k3u s PRO 79 Cb 0.01 -2.00 -0.05 0.00 0.02 0.00 0.00 34.50 32.49 2k3u s PRO 79 CO 0.08 -0.92 1.03 -0.48 -0.33 0.00 0.00 177.00 176.39 2k3u s LEU 80 N -4.06 3.50 0.45 -5.54 2.34 -1.26 -5.01 118.68 109.10 2k3u s LEU 80 Ca 0.71 1.70 -0.25 0.00 0.06 0.00 0.00 54.13 56.35 2k3u s LEU 80 Cb -0.22 -4.52 -0.08 0.00 -0.56 0.00 0.00 46.19 40.81 2k3u s LEU 80 CO 0.30 -0.97 1.35 0.00 -1.06 0.00 0.00 176.35 175.97 2k3u s ALA 81 N -2.59 3.15 0.40 1.48 0.00 -1.26 -4.76 121.76 118.18 2k3u s ALA 81 Ca 0.61 1.32 0.09 0.00 0.00 0.00 0.00 51.96 53.98 2k3u s ALA 81 Cb -0.14 -3.53 0.88 0.00 0.00 0.00 0.00 23.12 20.33 2k3u s ALA 81 CO 0.37 -1.05 1.97 0.93 0.00 0.00 0.00 175.76 177.98 2k3u h GLU 82 N 2.27 0.57 0.00 0.00 5.08 -1.98 0.44 114.58 120.95 2k3u h GLU 82 Ca -0.50 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 57.82 2k3u h GLU 82 Cb 1.26 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 30.38 2k3u h GLU 82 CO 0.61 0.38 0.00 -0.25 -1.00 0.00 0.00 179.01 178.75 2k3u n ASP 83 N -4.48 0.59 -0.07 1.42 8.00 -1.26 -1.91 116.55 118.83 2k3u n ASP 83 Ca 0.10 0.63 -0.13 0.00 0.71 0.00 0.00 54.79 56.10 2k3u n ASP 83 Cb 0.29 -0.76 -0.14 0.00 -0.02 0.00 0.00 41.12 40.48 2k3u n ASP 83 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2k3u n ARG 84 N -2.13 0.68 -0.33 -1.24 1.74 -0.23 -4.08 116.66 111.07 2k3u n ARG 84 Ca 0.03 0.14 0.03 0.00 -0.77 0.00 0.00 57.85 57.27 2k3u n ARG 84 Cb 0.25 -1.62 0.17 0.00 -1.02 0.00 0.00 32.46 30.24 2k3u n ARG 84 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 2k3u h LYS 85 N 0.01 0.96 -0.00 5.56 1.57 -0.50 -2.51 116.57 121.65 2k3u h LYS 85 Ca -0.47 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.25 2k3u h LYS 85 Cb 2.09 -0.22 0.00 0.00 0.08 0.00 0.00 32.23 34.18 2k3u h LYS 85 CO 0.03 0.63 -0.07 0.09 -0.57 0.00 0.00 179.45 179.56 2k3u n ASN 86 N -4.62 0.43 -4.75 0.86 3.02 -0.80 -0.62 115.26 108.78 2k3u n ASN 86 Ca 0.14 -0.69 -0.40 0.00 -0.03 0.00 0.00 54.58 53.60 2k3u n ASN 86 Cb 0.23 -0.08 -0.06 0.00 -0.61 0.00 0.00 39.78 39.26 2k3u n ASN 86 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2k3u s VAL 87 N -2.35 4.02 0.17 2.41 0.11 -0.95 -4.85 120.40 118.96 2k3u s VAL 87 Ca 0.33 2.03 -0.29 0.00 -2.93 0.00 0.00 61.98 61.12 2k3u s VAL 87 Cb 0.21 -4.29 -0.08 0.00 -1.53 0.00 0.00 36.38 30.69 2k3u s VAL 87 CO 0.44 0.48 0.90 -1.61 -3.33 0.00 0.00 175.10 171.98 2k3u s GLU 88 N -1.18 4.72 0.14 1.54 2.02 -1.26 -1.12 118.70 123.56 2k3u s GLU 88 Ca 0.41 1.38 -0.31 0.00 0.02 0.00 0.00 54.97 56.48 2k3u s GLU 88 Cb -0.27 -3.31 -0.08 0.00 0.10 0.00 0.00 34.13 30.57 2k3u s GLU 88 CO 0.33 0.42 1.30 -0.51 0.02 0.00 0.00 175.26 176.82 2k3u s LEU 89 N -0.72 4.39 0.51 1.80 1.43 -0.06 -4.90 118.68 121.13 2k3u s LEU 89 Ca 0.41 2.28 0.18 0.00 -1.03 0.00 0.00 54.13 55.98 2k3u s LEU 89 Cb -0.24 -3.59 1.26 0.00 0.03 0.00 0.00 46.19 43.64 2k3u s LEU 89 CO 0.29 -0.54 2.07 -0.07 0.23 0.00 0.00 176.35 178.34 2k3u h LEU 90 N 6.16 0.07 0.00 1.79 3.38 -1.90 -3.46 115.31 121.34 2k3u h LEU 90 Ca -0.43 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.55 2k3u h LEU 90 Cb 1.21 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.95 2k3u h LEU 90 CO 0.81 0.05 0.09 0.61 0.09 0.00 0.00 178.44 180.08 2k3u n GLY 91 N -1.57 1.55 3.75 0.83 0.00 -1.10 -4.66 105.19 103.99 2k3u n GLY 91 Ca 0.03 -1.03 -0.35 0.00 0.00 0.00 0.00 46.02 44.66 2k3u n GLY 91 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2k3u s LYS 92 N -2.02 2.82 -0.74 1.61 2.47 -1.26 -4.49 119.74 118.12 2k3u s LYS 92 Ca 0.04 1.76 -0.21 0.00 -1.56 0.00 0.00 55.97 55.99 2k3u s LYS 92 Cb -0.01 -1.92 -0.16 0.00 -1.46 0.00 0.00 37.83 34.28 2k3u s LYS 92 CO 0.02 -1.31 1.92 -0.12 0.16 0.00 0.00 175.35 176.02 2k3u n MET 93 N -1.88 1.46 -0.20 4.03 0.00 -0.37 -1.83 117.12 118.33 2k3u n MET 93 Ca 0.13 -1.78 0.00 0.00 0.00 0.00 0.00 57.70 56.05 2k3u n MET 93 Cb 0.50 -2.87 0.09 0.00 0.00 0.00 0.00 33.22 30.94 2k3u n MET 93 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 175.97 175.05 2k3u h TYR 94 N 7.91 -0.10 -2.30 1.12 5.03 -1.50 -2.97 116.97 124.17 2k3u h TYR 94 Ca 0.42 0.05 0.03 0.00 2.58 0.00 0.00 58.73 61.81 2k3u h TYR 94 Cb 0.64 0.14 -0.16 0.00 1.55 0.00 0.00 36.73 38.89 2k3u h TYR 94 CO 1.27 -0.18 0.36 0.21 -1.32 0.00 0.00 178.16 178.50 2k3u s LYS 95 N -6.17 0.96 0.02 1.82 2.20 -0.92 -2.06 119.74 115.60 2k3u s LYS 95 Ca -0.14 -0.15 0.00 0.00 -0.36 0.00 0.00 55.97 55.33 2k3u s LYS 95 Cb 0.19 0.45 -0.02 0.00 -1.51 0.00 0.00 37.83 36.93 2k3u s LYS 95 CO 0.74 -0.38 -0.04 0.99 -0.36 0.00 0.00 175.35 176.30 2k3u s THR 96 N -2.53 0.17 0.06 3.43 2.01 0.18 -1.25 115.64 117.70 2k3u s THR 96 Ca -0.01 -0.93 0.03 0.00 0.31 0.00 0.00 61.69 61.10 2k3u s THR 96 Cb -0.01 -0.31 -0.03 0.00 0.01 0.00 0.00 72.50 72.16 2k3u s THR 96 CO -0.04 -0.48 -0.11 -0.31 -0.69 0.00 0.00 174.62 172.99 2k3u s TYR 97 N -1.44 0.91 -0.00 4.92 1.51 0.13 -1.14 117.35 122.25 2k3u s TYR 97 Ca -0.15 -0.49 -0.02 0.00 -1.01 0.00 0.00 57.07 55.40 2k3u s TYR 97 Cb -0.10 -0.53 -0.00 0.00 -0.11 0.00 0.00 41.96 41.22 2k3u s TYR 97 CO -0.01 -0.02 0.04 -0.06 -1.11 0.00 0.00 175.55 174.39 2k3u s PHE 98 N -1.39 0.08 -0.04 2.71 0.40 0.11 -1.12 117.98 118.73 2k3u s PHE 98 Ca -0.06 -0.16 0.01 0.00 -0.60 0.00 0.00 56.93 56.12 2k3u s PHE 98 Cb -0.10 -0.07 0.02 0.00 0.51 0.00 0.00 43.02 43.39 2k3u s PHE 98 CO 0.01 -0.13 -0.02 -0.06 0.70 0.00 0.00 175.22 175.72 2k3u s PHE 99 N -0.77 0.56 0.83 0.36 0.40 -1.06 -1.89 117.98 116.41 2k3u s PHE 99 Ca -0.09 -0.12 -0.11 0.00 -0.60 0.00 0.00 56.93 56.02 2k3u s PHE 99 Cb -0.05 -0.57 0.09 0.00 0.51 0.00 0.00 43.02 43.00 2k3u s PHE 99 CO -0.00 -0.18 1.09 0.15 0.70 0.00 0.00 175.22 176.99 2k3u s LYS 100 N 1.05 1.77 -0.46 0.44 3.01 -1.26 -0.96 119.74 123.33 2k3u s LYS 100 Ca -0.09 1.03 -0.40 0.00 -1.01 0.00 0.00 55.97 55.50 2k3u s LYS 100 Cb -0.14 -1.85 -0.16 0.00 -1.01 0.00 0.00 37.83 34.67 2k3u s LYS 100 CO -0.01 -1.94 2.19 1.17 0.51 0.00 0.00 175.35 177.26 2k3u n LYS 101 N -3.71 0.43 -0.10 1.68 3.00 -0.54 -1.06 118.16 117.87 2k3u n LYS 101 Ca 0.08 0.11 0.00 0.00 -0.00 0.00 0.00 58.31 58.50 2k3u n LYS 101 Cb 0.54 -1.90 0.00 0.00 0.00 0.00 0.00 35.03 33.67 2k3u n LYS 101 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2k3u n GLY 102 N 7.07 0.74 3.82 3.14 0.00 -1.26 -5.06 105.19 113.63 2k3u n GLY 102 Ca 0.50 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 46.19 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 -0.74 3.54 -0.01 1.61 2.02 -0.22 -5.00 118.70 119.91 2k3u s GLU 103 Ca 0.00 1.13 0.01 0.00 0.02 0.00 0.00 54.97 56.13 2k3u s GLU 103 Cb 0.00 -2.07 0.02 0.00 0.10 0.00 0.00 34.13 32.18 2k3u s GLU 103 CO 0.00 -0.62 0.72 0.43 0.02 0.00 0.00 175.26 175.81 2k3u n SER 104 N -1.85 0.47 -3.76 -0.19 7.64 -1.26 -4.87 113.62 109.80 2k3u n SER 104 Ca 0.08 -1.50 -0.14 0.00 1.01 0.00 0.00 58.87 58.32 2k3u n SER 104 Cb 0.53 -0.07 -0.15 0.00 -1.01 0.00 0.00 64.21 63.52 2k3u n SER 104 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 2k3u s LYS 105 N -0.34 0.05 0.99 1.43 2.20 -1.26 -5.16 119.74 117.64 2k3u s LYS 105 Ca 0.02 0.29 -0.11 0.00 -0.36 0.00 0.00 55.97 55.81 2k3u s LYS 105 Cb 0.02 -0.18 0.19 0.00 -1.51 0.00 0.00 37.83 36.34 2k3u s LYS 105 CO 0.00 -0.15 1.10 -1.54 -0.36 0.00 0.00 175.35 174.40 2k3u s SER 106 N 1.04 2.37 0.00 1.43 1.04 -1.26 -4.91 113.70 113.41 2k3u s SER 106 Ca -0.08 1.91 0.00 0.00 0.48 0.00 0.00 55.95 58.25 2k3u s SER 106 Cb -0.11 -2.46 0.00 0.00 0.10 0.00 0.00 66.02 63.55 2k3u s SER 106 CO -0.04 -3.40 0.00 -0.24 0.98 0.00 0.00 173.24 170.54 2k3u n SER 107 N -4.41 1.58 -3.84 7.02 2.88 -0.79 -5.02 113.62 111.05 2k3u n SER 107 Ca 0.08 -0.15 -0.14 0.00 -1.33 0.00 0.00 58.87 57.33 2k3u n SER 107 Cb 0.53 0.62 -0.15 0.00 -0.75 0.00 0.00 64.21 64.45 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 -0.93 0.12 0.08 0.66 5.04 -1.20 -5.05 117.35 116.06 2k3u s TYR 108 Ca 0.00 0.03 -0.04 0.00 -2.44 0.00 0.00 57.07 54.62 2k3u s TYR 108 Cb 0.00 -0.19 -0.02 0.00 0.35 0.00 0.00 41.96 42.10 2k3u s TYR 108 CO 0.00 -0.06 0.08 0.14 -1.34 0.00 0.00 175.55 174.37 2k3u s VAL 109 N 0.53 0.17 -0.10 3.14 -7.23 -1.26 -0.71 120.40 114.94 2k3u s VAL 109 Ca -0.05 -1.57 -0.05 0.00 -1.81 0.00 0.00 61.98 58.50 2k3u s VAL 109 Cb -0.07 -1.53 0.04 0.00 0.56 0.00 0.00 36.38 35.39 2k3u s VAL 109 CO -0.01 -0.78 0.23 -0.63 -0.31 0.00 0.00 175.10 173.59 2k3u s ILE 110 N -3.91 -0.04 0.44 -0.62 1.01 -0.29 -5.00 121.20 112.78 2k3u s ILE 110 Ca 0.09 0.14 0.04 0.00 0.00 0.00 0.00 60.65 60.91 2k3u s ILE 110 Cb 0.07 -0.35 0.01 0.00 0.01 0.00 0.00 42.46 42.19 2k3u s ILE 110 CO -0.09 0.06 0.62 0.20 0.00 0.00 0.00 174.94 175.73 2k3u s ASN 111 N 1.14 5.70 0.00 3.58 0.01 -1.26 -0.65 114.94 123.47 2k3u s ASN 111 Ca -0.08 -0.06 0.00 0.00 -0.71 0.00 0.00 52.86 52.01 2k3u s ASN 111 Cb -0.10 -1.12 0.00 0.00 0.41 0.00 0.00 41.25 40.45 2k3u s ASN 111 CO -0.07 -0.74 0.00 0.61 -1.51 0.00 0.00 177.10 175.39 2k3u n GLY 112 N -1.97 2.09 3.68 0.66 0.00 -0.87 -4.90 105.19 103.88 2k3u n GLY 112 Ca 0.04 -0.89 -0.42 0.00 0.00 0.00 0.00 46.02 44.75 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 -0.87 4.25 0.00 1.61 0.04 -1.17 -4.48 135.00 134.38 2k3u s PRO 113 Ca 0.00 2.08 0.00 0.00 0.04 0.00 0.00 61.00 63.12 2k3u s PRO 113 Cb 0.00 -3.63 0.00 0.00 0.04 0.00 0.00 34.50 30.91 2k3u s PRO 113 CO 0.00 -0.65 0.00 0.41 0.04 0.00 0.00 177.00 176.80 2k3u n GLY 114 N 3.79 3.55 0.03 0.56 0.00 -1.26 -1.24 105.19 110.62 2k3u n GLY 114 Ca 0.14 -0.28 0.07 0.00 0.00 0.00 0.00 46.02 45.96 2k3u n GLY 114 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2k3u n LYS 115 N 0.00 0.66 -3.56 1.61 2.85 -1.26 -4.47 118.16 113.98 2k3u n LYS 115 Ca 0.00 -0.14 -0.12 0.00 -1.05 0.00 0.00 58.31 57.00 2k3u n LYS 115 Cb 0.00 -1.54 -0.05 0.00 -0.65 0.00 0.00 35.03 32.79 2k3u n LYS 115 CO 0.00 0.00 0.00 -0.08 -0.05 0.00 0.00 177.40 177.27 2k3u s THR 116 N -3.32 0.00 0.10 0.58 -1.32 -1.26 -5.04 115.64 105.38 2k3u s THR 116 Ca -0.08 0.00 0.25 0.00 -1.21 0.00 0.00 61.69 60.65 2k3u s THR 116 Cb 0.12 -1.00 0.26 0.00 -1.51 0.00 0.00 72.50 70.37 2k3u s THR 116 CO 0.89 0.00 1.84 0.78 -2.21 0.00 0.00 174.62 175.91 2k3u h ASN 117 N 2.63 0.00 0.00 8.08 4.21 -1.94 -3.36 115.58 125.20 2k3u h ASN 117 Ca -0.20 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.31 2k3u h ASN 117 Cb 1.16 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.36 2k3u h ASN 117 CO 0.33 0.19 0.00 -0.62 -1.29 0.00 0.00 177.43 176.03 2k3u n GLU 118 N -3.33 0.71 -0.38 0.81 1.02 -1.26 -0.62 120.64 117.59 2k3u n GLU 118 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 2k3u n GLU 118 Cb 0.42 -1.34 0.00 0.00 -0.02 0.00 0.00 31.44 30.50 2k3u n GLU 118 CO 0.00 0.00 0.00 0.98 1.18 0.00 0.00 177.13 179.29 2k3u n TYR 119 N 0.19 0.00 -2.01 -0.32 4.19 -1.26 -4.88 117.16 113.07 2k3u n TYR 119 Ca 0.00 0.00 -0.00 0.00 3.31 0.00 0.00 57.90 61.21 2k3u n TYR 119 Cb 0.19 -1.57 -0.00 0.00 0.49 0.00 0.00 39.34 38.46 2k3u n TYR 119 CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77 2k3u n ALA 120 N 0.62 2.06 1.26 2.98 0.00 -1.26 -4.84 120.51 121.32 2k3u n ALA 120 Ca 0.00 -0.49 0.10 0.00 0.00 0.00 0.00 53.44 53.05 2k3u n ALA 120 Cb 0.00 -0.23 0.60 0.00 0.00 0.00 0.00 19.45 19.82 2k3u n ALA 120 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48