#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 -0.13 0.00 6.41 0.15 -1.26 -5.20 113.70 113.67 2k3u s SER 32 Ca 0.00 -0.52 0.00 0.00 0.70 0.00 0.00 55.95 56.13 2k3u s SER 32 Cb 0.00 0.53 0.00 0.00 -1.71 0.00 0.00 66.02 64.84 2k3u s SER 32 CO 0.00 -1.00 0.00 0.61 1.20 0.00 0.00 173.24 174.05 2k3u n GLY 33 N -0.52 2.50 3.24 9.45 0.00 -1.26 -5.19 105.19 113.41 2k3u n GLY 33 Ca -0.05 -0.81 -0.19 0.00 0.00 0.00 0.00 46.02 44.96 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 2.37 0.85 0.99 1.43 -1.26 -4.97 118.68 118.08 2k3u s LEU 34 Ca 0.00 -0.76 -0.12 0.00 -1.03 0.00 0.00 54.13 52.22 2k3u s LEU 34 Cb 0.00 -0.62 0.10 0.00 0.03 0.00 0.00 46.19 45.70 2k3u s LEU 34 CO 0.00 -0.09 1.11 -2.16 0.23 0.00 0.00 176.35 175.44 2k3u s PRO 35 N -2.39 1.67 0.00 1.29 0.04 -1.26 -5.02 135.00 129.33 2k3u s PRO 35 Ca 0.07 0.56 0.00 0.00 0.04 0.00 0.00 61.00 61.68 2k3u s PRO 35 Cb -0.07 -1.88 0.00 0.00 0.04 0.00 0.00 34.50 32.60 2k3u s PRO 35 CO 0.03 -1.89 0.09 -2.37 0.04 0.00 0.00 177.00 172.90 2k3u n THR 36 N -3.60 0.00 -3.83 1.26 5.66 -1.26 -4.57 114.28 107.93 2k3u n THR 36 Ca 0.07 0.00 -0.19 0.00 -3.05 0.00 0.00 64.05 60.88 2k3u n THR 36 Cb 0.57 0.63 -0.17 0.00 -1.55 0.00 0.00 70.33 69.81 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 0.00 0.13 0.33 1.09 -4.23 -1.26 -3.78 115.64 107.91 2k3u s THR 37 Ca 0.00 0.18 0.06 0.00 -1.18 0.00 0.00 61.69 60.76 2k3u s THR 37 Cb 0.00 -0.27 0.31 0.00 1.34 0.00 0.00 72.50 73.88 2k3u s THR 37 CO 0.00 0.17 1.84 0.25 -0.54 0.00 0.00 174.62 176.33 2k3u h LEU 38 N 7.72 0.75 -1.36 4.79 6.46 -1.38 -2.45 115.31 129.84 2k3u h LEU 38 Ca -0.32 0.06 0.17 0.00 -0.12 0.00 0.00 57.88 57.67 2k3u h LEU 38 Cb 1.13 -0.09 -0.07 0.00 -0.73 0.00 0.00 40.66 40.89 2k3u h LEU 38 CO 0.36 0.36 0.58 1.23 -0.62 0.00 0.00 178.44 180.36 2k3u h GLY 39 N 0.79 1.11 1.89 3.75 0.00 -1.33 0.11 103.07 109.39 2k3u h GLY 39 Ca 0.50 -0.26 -0.10 0.00 0.00 0.00 0.00 47.33 47.47 2k3u h GLY 39 CO -0.26 0.03 -0.44 0.50 0.00 0.00 0.00 176.54 176.37 2k3u h LYS 40 N 0.57 0.12 0.11 4.80 1.79 -1.65 -2.70 116.57 119.61 2k3u h LYS 40 Ca 0.47 -0.06 -0.24 0.00 -2.18 0.00 0.00 60.65 58.64 2k3u h LYS 40 Cb 0.92 -0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.57 2k3u h LYS 40 CO -0.21 0.55 -1.19 1.25 -1.08 0.00 0.00 179.45 178.77 2k3u h LEU 41 N 0.10 0.35 -0.82 2.94 6.46 -1.33 -3.31 115.31 119.69 2k3u h LEU 41 Ca 0.01 -0.86 0.12 0.00 -0.12 0.00 0.00 57.88 57.03 2k3u h LEU 41 Cb 0.83 -0.11 -0.08 0.00 -0.73 0.00 0.00 40.66 40.56 2k3u h LEU 41 CO 0.06 1.52 0.44 -0.78 -0.62 0.00 0.00 178.44 179.06 2k3u h ASP 42 N -0.41 0.57 -0.05 1.25 1.82 -0.90 0.12 116.42 118.81 2k3u h ASP 42 Ca -0.25 0.07 -0.07 0.00 -0.39 0.00 0.00 57.03 56.39 2k3u h ASP 42 Cb 1.66 -0.03 -0.01 0.00 0.68 0.00 0.00 39.33 41.63 2k3u h ASP 42 CO 0.05 0.28 -0.17 -0.08 -1.61 0.00 0.00 179.24 177.72 2k3u h GLU 43 N 0.68 0.39 -0.15 0.28 4.57 -1.63 0.54 114.58 119.26 2k3u h GLU 43 Ca 0.42 -0.12 -0.18 0.00 -1.18 0.00 0.00 59.36 58.31 2k3u h GLU 43 Cb 0.51 -0.04 0.01 0.00 -0.16 0.00 0.00 28.75 29.07 2k3u h GLU 43 CO -0.31 0.56 -0.60 -0.09 -1.18 0.00 0.00 179.01 177.39 2k3u h ARG 44 N 0.36 0.67 -0.69 1.92 2.43 -1.41 -3.01 114.38 114.65 2k3u h ARG 44 Ca 0.07 -0.52 -0.03 0.00 -0.81 0.00 0.00 59.98 58.68 2k3u h ARG 44 Cb 0.51 0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 30.13 2k3u h ARG 44 CO 0.03 1.14 0.30 -0.07 -1.51 0.00 0.00 179.97 179.86 2k3u h LEU 45 N 0.35 0.91 -2.50 3.80 3.38 -0.53 0.99 115.31 121.70 2k3u h LEU 45 Ca -0.03 -0.12 -0.00 0.00 0.09 0.00 0.00 57.88 57.82 2k3u h LEU 45 Cb 1.23 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 41.74 2k3u h LEU 45 CO 0.13 0.80 -0.02 0.03 0.09 0.00 0.00 178.44 179.46 2k3u h ARG 46 N 0.99 0.00 0.06 1.13 3.08 -0.96 -2.27 114.38 116.41 2k3u h ARG 46 Ca 0.24 0.00 -0.30 0.00 0.07 0.00 0.00 59.98 59.98 2k3u h ARG 46 Cb 0.15 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.17 2k3u h ARG 46 CO -0.03 0.02 -1.64 -0.91 -1.07 0.00 0.00 179.97 176.35 2k3u h ASN 47 N 0.00 0.20 -0.66 7.04 2.35 -0.93 -3.40 115.58 120.18 2k3u h ASN 47 Ca -0.00 -0.35 0.10 0.00 -0.55 0.00 0.00 56.30 55.49 2k3u h ASN 47 Cb 0.07 -0.07 -0.07 0.00 0.05 0.00 0.00 38.32 38.30 2k3u h ASN 47 CO 0.00 1.31 0.29 1.88 -1.65 0.00 0.00 177.43 179.26 2k3u h TYR 48 N 0.04 0.51 -0.55 1.19 -1.99 -0.27 -0.05 116.97 115.85 2k3u h TYR 48 Ca -0.27 0.03 -0.03 0.00 2.00 0.00 0.00 58.73 60.46 2k3u h TYR 48 Cb 1.99 -0.13 -0.02 0.00 2.00 0.00 0.00 36.73 40.57 2k3u h TYR 48 CO 0.03 0.15 0.24 -0.07 -0.00 0.00 0.00 178.16 178.52 2k3u h LEU 49 N 0.50 0.74 -0.65 3.88 3.38 -1.78 -0.01 115.31 121.37 2k3u h LEU 49 Ca 0.33 -0.15 -0.10 0.00 0.09 0.00 0.00 57.88 58.05 2k3u h LEU 49 Cb 0.39 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 2k3u h LEU 49 CO -0.30 0.69 -0.05 0.11 0.09 0.00 0.00 178.44 178.98 2k3u h LYS 50 N 0.75 1.00 -0.07 1.13 1.57 -1.60 -0.02 116.57 119.34 2k3u h LYS 50 Ca 0.19 -0.34 -0.05 0.00 -1.87 0.00 0.00 60.65 58.58 2k3u h LYS 50 Cb 0.16 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.38 2k3u h LYS 50 CO -0.02 1.02 -0.18 0.87 -0.57 0.00 0.00 179.45 180.56 2k3u h LYS 51 N 0.91 0.12 0.00 3.15 1.79 -0.84 -3.41 116.57 118.29 2k3u h LYS 51 Ca 0.15 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.60 2k3u h LYS 51 Cb 0.60 -0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.23 2k3u h LYS 51 CO 0.04 0.31 -0.69 0.41 -1.08 0.00 0.00 179.45 178.43 2k3u n GLY 52 N -0.87 0.00 3.94 3.86 0.00 -0.03 -5.07 105.19 107.02 2k3u n GLY 52 Ca -0.02 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.75 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 -1.64 2.24 0.02 2.61 -4.23 -0.04 -5.02 115.64 109.58 2k3u s THR 53 Ca 0.00 -0.32 0.10 0.00 -1.18 0.00 0.00 61.69 60.29 2k3u s THR 53 Cb 0.00 -2.92 -0.12 0.00 1.34 0.00 0.00 72.50 70.80 2k3u s THR 53 CO 0.00 0.00 1.32 0.11 -0.54 0.00 0.00 174.62 175.51 2k3u h LYS 54 N -0.68 0.00 -2.33 3.99 1.79 -1.94 -3.45 116.57 113.95 2k3u h LYS 54 Ca -0.43 0.00 -0.08 0.00 -2.18 0.00 0.00 60.65 57.96 2k3u h LYS 54 Cb 1.29 0.00 -0.27 0.00 -1.58 0.00 0.00 32.23 31.67 2k3u h LYS 54 CO 0.53 0.81 -0.36 1.21 -1.08 0.00 0.00 179.45 180.56 2k3u s ASN 55 N -6.60 -0.29 0.35 0.86 2.47 -1.26 -5.06 114.94 105.42 2k3u s ASN 55 Ca 0.02 0.92 0.24 0.00 0.42 0.00 0.00 52.86 54.45 2k3u s ASN 55 Cb 0.09 1.42 0.43 0.00 -1.45 0.00 0.00 41.25 41.73 2k3u s ASN 55 CO 0.79 -0.24 1.59 -1.28 -3.72 0.00 0.00 177.10 174.24 2k3u h SER 56 N 8.15 0.00 0.41 -4.21 0.87 -1.87 -3.38 113.55 113.52 2k3u h SER 56 Ca -0.17 -0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.38 2k3u h SER 56 Cb 1.12 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.08 2k3u h SER 56 CO 0.15 0.00 0.00 0.00 -0.53 0.00 0.00 176.83 176.45 2k3u n ALA 57 N -2.02 1.72 0.48 6.23 0.00 -1.26 -2.90 120.51 122.76 2k3u n ALA 57 Ca 0.04 -0.06 0.12 0.00 0.00 0.00 0.00 53.44 53.54 2k3u n ALA 57 Cb 0.50 -1.23 0.17 0.00 0.00 0.00 0.00 19.45 18.89 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 -6.75 0.00 3.07 -1.98 -3.48 115.11 105.96 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 0.21 0.00 -0.03 0.00 0.08 0.00 0.00 27.48 27.74 2k3u h GLN 58 CO 0.00 0.00 0.20 -0.06 0.09 0.00 0.00 178.83 179.06 2k3u s PHE 59 N -3.19 3.56 -0.04 0.06 0.08 -1.14 -0.43 117.98 116.88 2k3u s PHE 59 Ca 0.06 1.50 0.05 0.00 0.12 0.00 0.00 56.93 58.65 2k3u s PHE 59 Cb 0.12 -2.72 -0.06 0.00 -0.57 0.00 0.00 43.02 39.79 2k3u s PHE 59 CO 0.71 0.20 0.04 -0.85 -0.10 0.00 0.00 175.22 175.22 2k3u n GLU 60 N 0.29 2.60 -3.83 0.44 0.28 0.08 -4.58 120.64 115.92 2k3u n GLU 60 Ca 0.01 -0.01 -0.08 0.00 -0.16 0.00 0.00 57.16 56.93 2k3u n GLU 60 Cb 0.52 -1.13 0.01 0.00 1.43 0.00 0.00 31.44 32.27 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 -2.17 1.97 0.13 3.44 -2.85 -1.24 -0.33 119.74 118.69 2k3u s LYS 61 Ca -0.02 -1.21 -0.17 0.00 -1.00 0.00 0.00 55.97 53.57 2k3u s LYS 61 Cb 0.02 0.60 0.04 0.00 -2.06 0.00 0.00 37.83 36.42 2k3u s LYS 61 CO 0.21 -0.92 0.42 0.00 0.10 0.00 0.00 175.35 175.16 2k3u s MET 62 N -2.92 1.09 -0.02 1.78 0.23 -0.11 -2.70 119.30 116.65 2k3u s MET 62 Ca 0.14 -0.67 -0.13 0.00 -1.03 0.00 0.00 55.69 54.00 2k3u s MET 62 Cb -0.05 0.48 0.02 0.00 -1.53 0.00 0.00 34.83 33.75 2k3u s MET 62 CO 0.09 -0.43 0.27 0.54 -2.03 0.00 0.00 175.02 173.47 2k3u s VAL 63 N -3.75 0.06 -0.03 5.16 0.11 -0.23 -1.16 120.40 120.55 2k3u s VAL 63 Ca 0.02 -0.47 0.03 0.00 -2.93 0.00 0.00 61.98 58.64 2k3u s VAL 63 Cb 0.01 -0.56 -0.00 0.00 -1.53 0.00 0.00 36.38 34.31 2k3u s VAL 63 CO -0.12 -0.26 -0.11 -0.63 -3.33 0.00 0.00 175.10 170.65 2k3u s ILE 64 N -1.19 0.95 -0.11 7.04 1.01 0.38 -0.92 121.20 128.36 2k3u s ILE 64 Ca -0.12 -0.46 0.03 0.00 0.00 0.00 0.00 60.65 60.09 2k3u s ILE 64 Cb -0.05 -0.83 -0.00 0.00 0.01 0.00 0.00 42.46 41.58 2k3u s ILE 64 CO 0.03 0.29 -0.21 -0.76 0.00 0.00 0.00 174.94 174.29 2k3u s LEU 65 N 0.08 2.27 0.33 2.97 1.43 -0.11 -1.66 118.68 124.00 2k3u s LEU 65 Ca -0.02 -0.50 0.09 0.00 -1.03 0.00 0.00 54.13 52.67 2k3u s LEU 65 Cb -0.09 -1.47 -0.06 0.00 0.03 0.00 0.00 46.19 44.60 2k3u s LEU 65 CO 0.01 0.15 -0.09 0.42 0.23 0.00 0.00 176.35 177.07 2k3u s THR 66 N 0.42 2.12 1.03 5.49 -4.23 -0.86 -2.11 115.64 117.51 2k3u s THR 66 Ca -0.15 -2.19 -0.11 0.00 -1.18 0.00 0.00 61.69 58.06 2k3u s THR 66 Cb -0.17 -2.61 0.21 0.00 1.34 0.00 0.00 72.50 71.26 2k3u s THR 66 CO 0.07 -0.22 1.06 -0.62 -0.54 0.00 0.00 174.62 174.36 2k3u n GLU 67 N -0.75 -1.34 -2.74 3.99 1.02 -0.67 -3.27 120.64 116.88 2k3u n GLU 67 Ca -0.05 -0.34 -0.17 0.00 -0.02 0.00 0.00 57.16 56.58 2k3u n GLU 67 Cb 0.63 -2.27 -0.00 0.00 -0.02 0.00 0.00 31.44 29.79 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 -4.45 -4.25 -2.29 1.62 3.02 0.04 -2.97 115.26 105.97 2k3u n ASN 68 Ca 0.08 -0.02 -0.21 0.00 -0.03 0.00 0.00 54.58 54.40 2k3u n ASN 68 Cb 0.53 -3.56 -0.02 0.00 -0.61 0.00 0.00 39.78 36.12 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 -3.19 -1.65 -2.19 3.52 5.02 0.60 -4.88 118.16 115.39 2k3u n LYS 69 Ca -0.12 1.05 -0.32 0.00 -2.02 0.00 0.00 58.31 56.90 2k3u n LYS 69 Cb 0.60 -5.68 -0.01 0.00 -0.02 0.00 0.00 35.03 29.92 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 -2.15 2.02 -0.04 0.72 0.00 -1.23 -4.94 107.32 101.70 2k3u s GLY 70 Ca 0.00 0.21 -0.02 0.00 0.00 0.00 0.00 44.72 44.91 2k3u s GLY 70 CO 0.00 0.50 0.09 -0.47 0.00 0.00 0.00 173.10 173.22 2k3u s TYR 71 N -2.66 -0.09 -0.05 1.90 6.14 -1.26 -2.02 117.35 119.31 2k3u s TYR 71 Ca 0.60 0.30 -0.06 0.00 0.64 0.00 0.00 57.07 58.55 2k3u s TYR 71 Cb -0.12 -0.07 0.01 0.00 0.42 0.00 0.00 41.96 42.21 2k3u s TYR 71 CO 0.37 -0.10 0.16 0.71 0.64 0.00 0.00 175.55 177.33 2k3u s TYR 72 N 0.66 -0.14 -0.03 4.97 2.02 -0.67 -5.00 117.35 119.16 2k3u s TYR 72 Ca -0.05 0.33 0.01 0.00 -0.37 0.00 0.00 57.07 56.99 2k3u s TYR 72 Cb -0.07 0.04 0.02 0.00 -0.40 0.00 0.00 41.96 41.55 2k3u s TYR 72 CO -0.03 -0.12 -0.04 -0.08 -1.57 0.00 0.00 175.55 173.71 2k3u s THR 73 N -0.18 0.48 -0.07 -0.71 -1.32 -1.26 -0.47 115.64 112.11 2k3u s THR 73 Ca -0.03 -0.13 -0.07 0.00 -1.21 0.00 0.00 61.69 60.25 2k3u s THR 73 Cb -0.02 -0.49 0.02 0.00 -1.51 0.00 0.00 72.50 70.50 2k3u s THR 73 CO 0.00 0.19 0.21 -0.69 -2.21 0.00 0.00 174.62 172.13 2k3u s VAL 74 N 0.68 0.01 0.23 5.08 1.01 -0.31 -5.01 120.40 122.09 2k3u s VAL 74 Ca -0.09 -0.06 -0.11 0.00 0.00 0.00 0.00 61.98 61.72 2k3u s VAL 74 Cb -0.12 -0.32 -0.08 0.00 0.00 0.00 0.00 36.38 35.87 2k3u s VAL 74 CO -0.00 -0.03 0.59 -0.31 0.00 0.00 0.00 175.10 175.35 2k3u s TYR 75 N -0.02 3.45 -0.12 5.22 1.51 -1.26 -0.93 117.35 125.20 2k3u s TYR 75 Ca -0.01 0.97 0.12 0.00 -1.01 0.00 0.00 57.07 57.15 2k3u s TYR 75 Cb -0.02 -2.33 -0.18 0.00 -0.11 0.00 0.00 41.96 39.31 2k3u s TYR 75 CO 0.00 0.26 0.32 1.28 -1.11 0.00 0.00 175.55 176.30 2k3u n LEU 76 N -0.02 0.10 0.19 -1.29 4.77 0.55 -4.25 117.00 117.05 2k3u n LEU 76 Ca 0.00 -0.09 0.12 0.00 -0.03 0.00 0.00 56.01 56.01 2k3u n LEU 76 Cb 0.52 0.00 0.65 0.00 -2.33 0.00 0.00 43.42 42.26 2k3u n LEU 76 CO 0.44 0.03 0.88 0.78 -1.33 0.00 0.00 177.39 178.19 2k3u h ASN 77 N 0.00 0.00 -4.68 -1.43 2.35 -1.50 -3.44 115.58 106.88 2k3u h ASN 77 Ca 0.00 0.00 -0.17 0.00 -0.55 0.00 0.00 56.30 55.58 2k3u h ASN 77 Cb 0.52 0.00 -0.22 0.00 0.05 0.00 0.00 38.32 38.67 2k3u h ASN 77 CO 0.00 0.00 -0.60 0.42 -1.65 0.00 0.00 177.43 175.60 2k3u s THR 78 N -3.61 0.07 0.24 2.81 -4.23 -1.26 -5.14 115.64 104.52 2k3u s THR 78 Ca -0.03 -0.60 -0.31 0.00 -1.18 0.00 0.00 61.69 59.57 2k3u s THR 78 Cb 0.07 -0.30 -0.11 0.00 1.34 0.00 0.00 72.50 73.51 2k3u s THR 78 CO 0.22 -0.33 1.56 -2.84 -0.54 0.00 0.00 174.62 172.68 2k3u s PRO 79 N -1.07 4.19 0.41 3.99 0.02 -1.26 -4.83 135.00 136.45 2k3u s PRO 79 Ca -0.12 2.45 -0.24 0.00 0.02 0.00 0.00 61.00 63.11 2k3u s PRO 79 Cb -0.07 -3.09 -0.08 0.00 0.02 0.00 0.00 34.50 31.28 2k3u s PRO 79 CO 0.00 -0.58 1.11 -0.48 -0.33 0.00 0.00 177.00 176.72 2k3u s LEU 80 N 0.14 4.14 0.77 -5.54 2.34 -1.26 -5.04 118.68 114.23 2k3u s LEU 80 Ca 0.65 2.19 -0.11 0.00 0.06 0.00 0.00 54.13 56.92 2k3u s LEU 80 Cb -0.45 -4.14 0.06 0.00 -0.56 0.00 0.00 46.19 41.09 2k3u s LEU 80 CO 0.41 -0.63 1.09 0.00 -1.06 0.00 0.00 176.35 176.16 2k3u s ALA 81 N -1.55 2.27 0.45 1.48 0.00 -1.26 -4.75 121.76 118.39 2k3u s ALA 81 Ca 0.58 0.25 0.12 0.00 0.00 0.00 0.00 51.96 52.92 2k3u s ALA 81 Cb -0.26 -3.27 1.01 0.00 0.00 0.00 0.00 23.12 20.60 2k3u s ALA 81 CO 0.32 -1.75 2.04 1.05 0.00 0.00 0.00 175.76 177.42 2k3u h GLU 82 N -1.11 0.16 -0.33 0.00 4.11 -1.99 -0.65 114.58 114.77 2k3u h GLU 82 Ca -0.44 -0.02 -0.14 0.00 0.07 0.00 0.00 59.36 58.84 2k3u h GLU 82 Cb 1.23 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.44 2k3u h GLU 82 CO 0.52 0.20 -0.35 -0.44 0.07 0.00 0.00 179.01 179.01 2k3u h ASP 83 N 0.16 0.79 0.51 3.06 3.32 -1.98 -3.11 116.42 119.18 2k3u h ASP 83 Ca 0.04 -0.34 -0.10 0.00 0.02 0.00 0.00 57.03 56.66 2k3u h ASP 83 Cb 0.15 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.47 2k3u h ASP 83 CO 0.00 1.06 -0.45 0.03 -1.72 0.00 0.00 179.24 178.17 2k3u h ARG 84 N 0.63 0.00 0.00 3.56 3.08 -1.57 -1.02 114.38 119.06 2k3u h ARG 84 Ca 0.06 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.11 2k3u h ARG 84 Cb 0.88 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.93 2k3u h ARG 84 CO 0.08 0.45 -0.03 0.87 -1.07 0.00 0.00 179.97 180.27 2k3u h LYS 85 N 0.00 0.00 0.00 0.04 1.57 -1.11 -3.30 116.57 113.77 2k3u h LYS 85 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2k3u h LYS 85 Cb 0.83 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.14 2k3u h LYS 85 CO 0.06 0.03 0.00 0.09 -0.57 0.00 0.00 179.45 179.06 2k3u n ASN 86 N -3.30 1.15 -4.77 0.86 3.02 -0.50 -1.42 115.26 110.31 2k3u n ASN 86 Ca -0.02 -1.18 -0.39 0.00 -0.03 0.00 0.00 54.58 52.96 2k3u n ASN 86 Cb 0.16 0.00 -0.04 0.00 -0.61 0.00 0.00 39.78 39.29 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 -0.18 3.42 0.69 2.41 0.11 -0.55 -4.76 120.40 121.54 2k3u s VAL 87 Ca 0.00 1.30 -0.17 0.00 -2.93 0.00 0.00 61.98 60.19 2k3u s VAL 87 Cb 0.00 -3.78 0.01 0.00 -1.53 0.00 0.00 36.38 31.09 2k3u s VAL 87 CO 0.00 0.21 1.25 -1.61 -3.33 0.00 0.00 175.10 171.63 2k3u s GLU 88 N -1.88 2.33 -0.20 1.54 2.02 -1.26 -1.45 118.70 119.81 2k3u s GLU 88 Ca 0.50 1.92 -0.00 0.00 0.02 0.00 0.00 54.97 57.41 2k3u s GLU 88 Cb -0.30 -1.84 0.02 0.00 0.10 0.00 0.00 34.13 32.11 2k3u s GLU 88 CO 0.38 -1.73 -0.15 -0.51 0.02 0.00 0.00 175.26 173.27 2k3u s LEU 89 N -4.75 2.45 0.48 1.80 1.43 -1.25 -4.78 118.68 114.06 2k3u s LEU 89 Ca 0.79 -0.65 0.18 0.00 -1.03 0.00 0.00 54.13 53.42 2k3u s LEU 89 Cb -0.34 -1.56 1.17 0.00 0.03 0.00 0.00 46.19 45.50 2k3u s LEU 89 CO 0.42 -0.02 2.03 -0.07 0.23 0.00 0.00 176.35 178.94 2k3u h LEU 90 N 7.98 0.00 0.00 1.79 3.38 -1.88 -3.43 115.31 123.15 2k3u h LEU 90 Ca -0.43 0.00 0.07 0.00 0.09 0.00 0.00 57.88 57.61 2k3u h LEU 90 Cb 1.14 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.87 2k3u h LEU 90 CO 0.62 0.15 0.21 0.61 0.09 0.00 0.00 178.44 180.12 2k3u n GLY 91 N -0.98 0.86 3.76 0.83 0.00 -1.16 -4.54 105.19 103.96 2k3u n GLY 91 Ca -0.02 -0.95 -0.36 0.00 0.00 0.00 0.00 46.02 44.69 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 -2.01 3.15 -1.07 1.61 2.47 -1.26 -4.54 119.74 118.09 2k3u s LYS 92 Ca 0.08 1.73 -0.15 0.00 -1.56 0.00 0.00 55.97 56.07 2k3u s LYS 92 Cb -0.01 -1.97 -0.08 0.00 -1.46 0.00 0.00 37.83 34.32 2k3u s LYS 92 CO 0.01 -1.04 2.16 -0.12 0.16 0.00 0.00 175.35 176.52 2k3u n MET 93 N -1.45 2.21 -0.12 4.03 0.00 -0.46 -1.66 117.12 119.67 2k3u n MET 93 Ca 0.13 -1.97 -0.08 0.00 0.00 0.00 0.00 57.70 55.78 2k3u n MET 93 Cb 0.50 -2.87 -0.03 0.00 0.00 0.00 0.00 33.22 30.82 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 6.73 -1.03 -3.26 1.12 3.20 -1.35 -3.20 116.97 119.17 2k3u h TYR 94 Ca 0.53 0.06 -0.09 0.00 3.14 0.00 0.00 58.73 62.37 2k3u h TYR 94 Cb 0.49 0.51 -0.17 0.00 1.54 0.00 0.00 36.73 39.10 2k3u h TYR 94 CO 1.55 -0.41 -0.23 0.21 -1.64 0.00 0.00 178.16 177.63 2k3u s LYS 95 N -5.95 0.81 0.02 1.82 2.20 -0.90 -2.24 119.74 115.51 2k3u s LYS 95 Ca -0.15 -0.47 -0.02 0.00 -0.36 0.00 0.00 55.97 54.98 2k3u s LYS 95 Cb 0.13 0.35 -0.02 0.00 -1.51 0.00 0.00 37.83 36.79 2k3u s LYS 95 CO 0.67 -0.26 0.01 0.99 -0.36 0.00 0.00 175.35 176.39 2k3u s THR 96 N -2.47 0.10 0.04 3.43 2.01 -0.80 -0.93 115.64 117.02 2k3u s THR 96 Ca -0.05 -0.84 0.02 0.00 0.31 0.00 0.00 61.69 61.12 2k3u s THR 96 Cb -0.01 -0.29 -0.02 0.00 0.01 0.00 0.00 72.50 72.19 2k3u s THR 96 CO -0.03 -0.46 -0.08 -0.31 -0.69 0.00 0.00 174.62 173.05 2k3u s TYR 97 N -1.41 0.65 -0.00 4.92 1.51 -0.10 -1.47 117.35 121.44 2k3u s TYR 97 Ca -0.15 -0.45 -0.05 0.00 -1.01 0.00 0.00 57.07 55.40 2k3u s TYR 97 Cb -0.09 -0.39 -0.00 0.00 -0.11 0.00 0.00 41.96 41.37 2k3u s TYR 97 CO -0.00 -0.07 0.11 -0.06 -1.11 0.00 0.00 175.55 174.41 2k3u s PHE 98 N -1.22 0.04 -0.01 2.71 0.40 0.20 -1.07 117.98 119.03 2k3u s PHE 98 Ca -0.08 -0.11 0.00 0.00 -0.60 0.00 0.00 56.93 56.14 2k3u s PHE 98 Cb -0.09 -0.05 0.01 0.00 0.51 0.00 0.00 43.02 43.40 2k3u s PHE 98 CO 0.00 -0.23 -0.01 -0.06 0.70 0.00 0.00 175.22 175.63 2k3u s PHE 99 N -1.11 0.19 0.86 0.36 0.40 -1.10 -1.30 117.98 116.29 2k3u s PHE 99 Ca -0.12 0.00 -0.12 0.00 -0.60 0.00 0.00 56.93 56.09 2k3u s PHE 99 Cb -0.07 -0.22 0.11 0.00 0.51 0.00 0.00 43.02 43.35 2k3u s PHE 99 CO 0.01 -0.05 1.12 0.15 0.70 0.00 0.00 175.22 177.15 2k3u s LYS 100 N 0.45 1.52 -0.50 0.44 1.02 -1.26 -0.74 119.74 120.67 2k3u s LYS 100 Ca -0.04 0.41 -0.28 0.00 0.02 0.00 0.00 55.97 56.08 2k3u s LYS 100 Cb -0.07 -1.87 -0.31 0.00 -0.52 0.00 0.00 37.83 35.07 2k3u s LYS 100 CO -0.01 -1.96 1.81 0.36 -0.92 0.00 0.00 175.35 174.63 2k3u n LYS 101 N -3.62 0.04 0.00 1.68 2.85 0.43 -1.50 118.16 118.04 2k3u n LYS 101 Ca 0.07 -1.29 0.00 0.00 -1.05 0.00 0.00 58.31 56.03 2k3u n LYS 101 Cb 0.58 -3.12 0.00 0.00 -0.65 0.00 0.00 35.03 31.84 2k3u n LYS 101 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2k3u n GLY 102 N 5.49 0.86 2.93 2.58 0.00 -1.26 -5.08 105.19 110.71 2k3u n GLY 102 Ca 0.43 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.33 2k3u n GLY 102 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2k3u s GLU 103 N 0.00 0.18 -0.00 1.61 2.12 -0.56 -5.05 118.70 117.00 2k3u s GLU 103 Ca 0.00 -0.25 0.23 0.00 0.36 0.00 0.00 54.97 55.31 2k3u s GLU 103 Cb 0.00 -0.05 0.38 0.00 0.26 0.00 0.00 34.13 34.72 2k3u s GLU 103 CO 0.00 0.01 1.15 0.43 -0.54 0.00 0.00 175.26 176.31 2k3u n SER 104 N 2.55 0.91 -3.66 -1.70 7.64 -1.26 -4.61 113.62 113.49 2k3u n SER 104 Ca -0.16 -2.04 -0.14 0.00 1.01 0.00 0.00 58.87 57.54 2k3u n SER 104 Cb 0.58 -0.29 -0.13 0.00 -1.01 0.00 0.00 64.21 63.35 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 -0.07 0.14 0.94 1.43 2.20 -1.26 -5.15 119.74 117.97 2k3u s LYS 105 Ca 0.30 0.73 -0.14 0.00 -0.36 0.00 0.00 55.97 56.50 2k3u s LYS 105 Cb 0.35 -0.07 -0.02 0.00 -1.51 0.00 0.00 37.83 36.57 2k3u s LYS 105 CO -0.15 -0.29 0.06 -1.13 -0.36 0.00 0.00 175.35 173.48 2k3u n SER 106 N 5.35 -3.18 0.00 1.43 3.41 -1.26 -4.94 113.62 114.43 2k3u n SER 106 Ca -0.06 0.31 0.00 0.00 -0.26 0.00 0.00 58.87 58.86 2k3u n SER 106 Cb 0.50 -1.07 0.00 0.00 -0.26 0.00 0.00 64.21 63.37 2k3u n SER 106 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2k3u n SER 107 N 0.18 1.75 -3.91 4.04 2.88 -0.42 -5.00 113.62 113.15 2k3u n SER 107 Ca 0.04 -0.22 -0.16 0.00 -1.33 0.00 0.00 58.87 57.20 2k3u n SER 107 Cb 0.54 0.79 -0.15 0.00 -0.75 0.00 0.00 64.21 64.64 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 -1.14 0.43 0.05 0.66 5.04 -1.14 -5.04 117.35 116.22 2k3u s TYR 108 Ca 0.00 -0.08 -0.02 0.00 -2.44 0.00 0.00 57.07 54.54 2k3u s TYR 108 Cb 0.00 -0.35 -0.04 0.00 0.35 0.00 0.00 41.96 41.92 2k3u s TYR 108 CO 0.00 -0.06 -0.01 0.14 -1.34 0.00 0.00 175.55 174.28 2k3u s VAL 109 N 0.30 0.21 -0.04 3.14 -7.23 -1.26 -0.63 120.40 114.89 2k3u s VAL 109 Ca -0.03 -1.75 -0.02 0.00 -1.81 0.00 0.00 61.98 58.37 2k3u s VAL 109 Cb -0.06 -1.51 0.02 0.00 0.56 0.00 0.00 36.38 35.39 2k3u s VAL 109 CO -0.00 -0.96 0.09 -0.63 -0.31 0.00 0.00 175.10 173.28 2k3u s ILE 110 N -3.92 -0.03 -0.39 -0.62 1.01 -0.54 -4.99 121.20 111.72 2k3u s ILE 110 Ca 0.07 0.12 -0.15 0.00 0.00 0.00 0.00 60.65 60.69 2k3u s ILE 110 Cb 0.08 -0.15 0.01 0.00 0.01 0.00 0.00 42.46 42.41 2k3u s ILE 110 CO -0.10 0.05 0.33 0.20 0.00 0.00 0.00 174.94 175.42 2k3u s ASN 111 N 0.72 6.13 0.11 3.58 -0.87 -1.26 -1.90 114.94 121.45 2k3u s ASN 111 Ca -0.06 -0.69 0.01 0.00 -1.57 0.00 0.00 52.86 50.56 2k3u s ASN 111 Cb -0.08 -2.17 0.01 0.00 -0.02 0.00 0.00 41.25 38.99 2k3u s ASN 111 CO -0.03 -0.43 0.11 0.61 -2.57 0.00 0.00 177.10 174.79 2k3u n GLY 112 N 5.12 2.62 3.66 0.66 0.00 -0.95 -5.02 105.19 111.27 2k3u n GLY 112 Ca -0.10 -2.18 -0.43 0.00 0.00 0.00 0.00 46.02 43.31 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 -2.48 4.21 0.00 1.61 0.04 -1.21 -4.63 135.00 132.54 2k3u s PRO 113 Ca 0.08 1.94 0.00 0.00 0.04 0.00 0.00 61.00 63.06 2k3u s PRO 113 Cb -0.01 -3.86 0.00 0.00 0.04 0.00 0.00 34.50 30.67 2k3u s PRO 113 CO 0.05 -0.77 0.00 0.41 0.04 0.00 0.00 177.00 176.74 2k3u n GLY 114 N 3.87 4.48 0.01 0.56 0.00 -1.26 -1.36 105.19 111.49 2k3u n GLY 114 Ca 0.15 -0.70 0.03 0.00 0.00 0.00 0.00 46.02 45.51 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 -1.00 0.66 -3.71 1.61 4.81 -1.26 -4.45 118.16 114.82 2k3u n LYS 115 Ca 0.00 -0.08 -0.05 0.00 -0.87 0.00 0.00 58.31 57.31 2k3u n LYS 115 Cb 0.00 -1.24 -0.02 0.00 0.02 0.00 0.00 35.03 33.80 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 -2.62 0.00 -0.56 3.15 -1.32 -1.26 -5.06 115.64 107.97 2k3u s THR 116 Ca -0.04 -0.57 0.24 0.00 -1.21 0.00 0.00 61.69 60.12 2k3u s THR 116 Cb 0.06 -1.76 0.29 0.00 -1.51 0.00 0.00 72.50 69.58 2k3u s THR 116 CO 0.41 0.00 1.65 0.78 -2.21 0.00 0.00 174.62 175.25 2k3u h ASN 117 N 2.00 0.00 0.02 8.08 -0.26 -1.95 -3.36 115.58 120.12 2k3u h ASN 117 Ca -0.23 -0.01 0.00 0.00 -0.56 0.00 0.00 56.30 55.50 2k3u h ASN 117 Cb 1.24 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 38.49 2k3u h ASN 117 CO 0.27 0.00 -0.16 -0.33 -1.06 0.00 0.00 177.43 176.16 2k3u h GLU 118 N 0.00 -0.20 0.00 0.81 5.08 -1.93 0.23 114.58 118.57 2k3u h GLU 118 Ca 0.00 0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.35 2k3u h GLU 118 Cb 0.88 0.05 -0.03 0.00 0.50 0.00 0.00 28.75 30.15 2k3u h GLU 118 CO 0.00 -0.14 -0.06 0.98 -1.00 0.00 0.00 179.01 178.80 2k3u n TYR 119 N -3.34 0.00 -2.98 4.33 9.36 -1.26 -4.19 117.16 119.08 2k3u n TYR 119 Ca -0.02 -0.10 -0.17 0.00 3.32 0.00 0.00 57.90 60.93 2k3u n TYR 119 Cb 0.12 0.30 -0.01 0.00 -0.63 0.00 0.00 39.34 39.12 2k3u n TYR 119 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 2k3u n ALA 120 N 0.00 -0.97 -0.05 2.98 0.00 -1.26 -4.82 120.51 116.39 2k3u n ALA 120 Ca -0.06 0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.45 2k3u n ALA 120 Cb 0.53 -1.99 0.00 0.00 0.00 0.00 0.00 19.45 17.99 2k3u n ALA 120 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48