#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k3u h SER 32 N 0.00 0.00 0.00 6.41 0.02 -2.04 -3.40 113.55 114.54 2k3u h SER 32 Ca 0.00 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.93 2k3u h SER 32 Cb 0.00 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.54 2k3u h SER 32 CO 0.00 0.05 -1.07 0.61 -1.14 0.00 0.00 176.83 175.28 2k3u n GLY 33 N -1.36 -0.02 2.75 -3.77 0.00 -1.26 -5.05 105.19 96.48 2k3u n GLY 33 Ca -0.03 -0.01 -0.18 0.00 0.00 0.00 0.00 46.02 45.81 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 -5.91 -0.21 0.34 0.99 1.43 -1.26 -5.09 118.68 108.97 2k3u s LEU 34 Ca -0.02 -0.81 -0.14 0.00 -1.03 0.00 0.00 54.13 52.13 2k3u s LEU 34 Cb 0.01 0.48 -0.09 0.00 0.03 0.00 0.00 46.19 46.62 2k3u s LEU 34 CO 0.02 -0.39 0.75 -2.16 0.23 0.00 0.00 176.35 174.81 2k3u s PRO 35 N 2.31 3.97 0.00 1.29 0.04 -1.26 -4.98 135.00 136.37 2k3u s PRO 35 Ca 0.10 0.65 0.24 0.00 0.04 0.00 0.00 61.00 62.03 2k3u s PRO 35 Cb -0.14 -2.41 0.39 0.00 0.04 0.00 0.00 34.50 32.38 2k3u s PRO 35 CO -0.32 0.11 1.15 -2.37 0.04 0.00 0.00 177.00 175.62 2k3u n THR 36 N -0.54 0.00 -4.05 1.26 5.66 -1.26 -4.98 114.28 110.37 2k3u n THR 36 Ca 0.03 -0.91 -0.09 0.00 -3.05 0.00 0.00 64.05 60.04 2k3u n THR 36 Cb 0.53 0.95 -0.10 0.00 -1.55 0.00 0.00 70.33 70.16 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 0.25 0.32 1.09 -4.23 -1.26 -3.92 115.64 107.89 2k3u s THR 37 Ca 0.31 -1.43 0.02 0.00 -1.18 0.00 0.00 61.69 59.41 2k3u s THR 37 Cb 0.36 -1.00 0.28 0.00 1.34 0.00 0.00 72.50 73.48 2k3u s THR 37 CO -0.15 -0.75 1.93 -0.07 -0.54 0.00 0.00 174.62 175.03 2k3u h LEU 38 N 3.80 0.84 -0.80 4.79 3.38 -1.57 -2.61 115.31 123.14 2k3u h LEU 38 Ca -0.34 0.00 0.13 0.00 0.09 0.00 0.00 57.88 57.76 2k3u h LEU 38 Cb 1.17 -0.18 -0.09 0.00 0.09 0.00 0.00 40.66 41.66 2k3u h LEU 38 CO 0.55 0.55 0.41 1.23 0.09 0.00 0.00 178.44 181.26 2k3u h GLY 39 N 0.96 1.27 1.29 0.83 0.00 -1.13 0.21 103.07 106.50 2k3u h GLY 39 Ca 0.36 -0.24 -0.27 0.00 0.00 0.00 0.00 47.33 47.17 2k3u h GLY 39 CO -0.12 0.00 -1.12 0.50 0.00 0.00 0.00 176.54 175.80 2k3u h LYS 40 N 0.62 0.61 -0.13 4.80 1.57 -1.82 -3.09 116.57 119.13 2k3u h LYS 40 Ca 0.42 -0.73 -0.16 0.00 -1.87 0.00 0.00 60.65 58.31 2k3u h LYS 40 Cb 0.55 0.22 0.01 0.00 0.08 0.00 0.00 32.23 33.09 2k3u h LYS 40 CO -0.33 1.31 -0.55 1.25 -0.57 0.00 0.00 179.45 180.56 2k3u h LEU 41 N 0.31 0.71 -0.75 2.94 5.85 -1.02 -2.41 115.31 120.95 2k3u h LEU 41 Ca -0.15 -0.62 -0.03 0.00 0.84 0.00 0.00 57.88 57.92 2k3u h LEU 41 Cb 1.78 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 42.57 2k3u h LEU 41 CO 0.21 1.22 0.36 -0.78 -0.34 0.00 0.00 178.44 179.11 2k3u h ASP 42 N 0.25 0.98 -0.70 1.25 1.82 -0.75 0.40 116.42 119.68 2k3u h ASP 42 Ca -0.03 -0.13 -0.06 0.00 -0.39 0.00 0.00 57.03 56.42 2k3u h ASP 42 Cb 1.19 -0.25 -0.03 0.00 0.68 0.00 0.00 39.33 40.91 2k3u h ASP 42 CO 0.12 0.84 0.22 -0.08 -1.61 0.00 0.00 179.24 178.72 2k3u h GLU 43 N 1.06 1.10 0.38 0.28 4.81 -1.61 -1.46 114.58 119.13 2k3u h GLU 43 Ca 0.26 -0.23 -0.00 0.00 -0.13 0.00 0.00 59.36 59.25 2k3u h GLU 43 Cb 0.12 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.31 2k3u h GLU 43 CO -0.03 0.94 -0.39 -0.09 -0.73 0.00 0.00 179.01 178.71 2k3u h ARG 44 N 1.05 -0.76 -0.28 1.92 2.43 -0.85 -2.66 114.38 115.23 2k3u h ARG 44 Ca 0.23 0.05 -0.07 0.00 -0.81 0.00 0.00 59.98 59.38 2k3u h ARG 44 Cb 0.30 0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 30.01 2k3u h ARG 44 CO -0.01 -0.51 -0.14 -0.07 -1.51 0.00 0.00 179.97 177.73 2k3u h LEU 45 N -0.79 0.47 -1.21 3.80 3.38 -0.71 0.54 115.31 120.79 2k3u h LEU 45 Ca -0.03 -0.13 -0.06 0.00 0.09 0.00 0.00 57.88 57.76 2k3u h LEU 45 Cb 0.71 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.32 2k3u h LEU 45 CO -0.07 0.64 -0.07 0.03 0.09 0.00 0.00 178.44 179.06 2k3u h ARG 46 N 0.44 0.46 -0.21 1.13 3.08 -1.31 -2.67 114.38 115.31 2k3u h ARG 46 Ca 0.08 -0.11 -0.20 0.00 0.07 0.00 0.00 59.98 59.82 2k3u h ARG 46 Cb 0.51 -0.06 0.01 0.00 0.08 0.00 0.00 29.97 30.51 2k3u h ARG 46 CO 0.03 0.54 -0.63 -0.91 -1.07 0.00 0.00 179.97 177.93 2k3u h ASN 47 N 0.44 0.93 -0.87 7.04 2.35 -0.78 -3.30 115.58 121.39 2k3u h ASN 47 Ca 0.09 -0.58 0.07 0.00 -0.55 0.00 0.00 56.30 55.33 2k3u h ASN 47 Cb 0.40 -0.27 -0.06 0.00 0.05 0.00 0.00 38.32 38.44 2k3u h ASN 47 CO 0.02 1.35 0.57 1.88 -1.65 0.00 0.00 177.43 179.59 2k3u h TYR 48 N 0.56 0.98 0.09 1.19 -1.99 -0.67 -1.44 116.97 115.68 2k3u h TYR 48 Ca -0.02 0.03 -0.00 0.00 2.00 0.00 0.00 58.73 60.73 2k3u h TYR 48 Cb 1.25 -0.32 0.00 0.00 2.00 0.00 0.00 36.73 39.66 2k3u h TYR 48 CO 0.08 0.50 -0.05 -0.07 -0.00 0.00 0.00 178.16 178.63 2k3u h LEU 49 N 0.95 -0.11 -0.80 3.88 3.38 -1.56 -0.54 115.31 120.51 2k3u h LEU 49 Ca 0.38 -0.01 0.03 0.00 0.09 0.00 0.00 57.88 58.37 2k3u h LEU 49 Cb 0.24 0.03 -0.05 0.00 0.09 0.00 0.00 40.66 40.97 2k3u h LEU 49 CO -0.14 -0.06 0.51 0.11 0.09 0.00 0.00 178.44 178.95 2k3u h LYS 50 N -0.14 0.97 -0.17 1.13 1.57 -1.48 -0.51 116.57 117.94 2k3u h LYS 50 Ca -0.01 -0.06 -0.06 0.00 -1.87 0.00 0.00 60.65 58.65 2k3u h LYS 50 Cb 0.11 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.19 2k3u h LYS 50 CO 0.02 0.64 -0.16 0.87 -0.57 0.00 0.00 179.45 180.25 2k3u h LYS 51 N 1.00 0.28 0.00 3.15 1.79 -1.18 -3.39 116.57 118.21 2k3u h LYS 51 Ca 0.32 -0.07 -0.01 0.00 -2.18 0.00 0.00 60.65 58.70 2k3u h LYS 51 Cb 0.01 -0.03 -0.00 0.00 -1.58 0.00 0.00 32.23 30.62 2k3u h LYS 51 CO -0.11 0.44 -1.06 0.41 -1.08 0.00 0.00 179.45 178.05 2k3u n GLY 52 N -0.76 -0.05 3.96 3.86 0.00 -0.22 -5.07 105.19 106.91 2k3u n GLY 52 Ca -0.01 -0.02 -0.22 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.04 3.67 0.16 2.61 -4.23 -0.24 -5.03 115.64 110.54 2k3u s THR 53 Ca -0.00 -0.54 -0.04 0.00 -1.18 0.00 0.00 61.69 59.92 2k3u s THR 53 Cb 0.00 -3.36 -0.12 0.00 1.34 0.00 0.00 72.50 70.37 2k3u s THR 53 CO 0.04 -0.25 1.40 0.11 -0.54 0.00 0.00 174.62 175.38 2k3u h LYS 54 N 0.32 0.50 -3.05 3.99 1.79 -1.93 -3.46 116.57 114.72 2k3u h LYS 54 Ca -0.45 -0.41 -0.12 0.00 -2.18 0.00 0.00 60.65 57.49 2k3u h LYS 54 Cb 1.26 0.09 -0.21 0.00 -1.58 0.00 0.00 32.23 31.79 2k3u h LYS 54 CO 0.56 1.04 -0.29 1.21 -1.08 0.00 0.00 179.45 180.88 2k3u s ASN 55 N -7.01 -0.19 -0.02 0.86 2.47 -1.26 -5.08 114.94 104.71 2k3u s ASN 55 Ca -0.07 0.12 0.16 0.00 0.42 0.00 0.00 52.86 53.50 2k3u s ASN 55 Cb 0.10 0.34 -0.24 0.00 -1.45 0.00 0.00 41.25 40.00 2k3u s ASN 55 CO 0.86 -0.41 0.34 -0.24 -3.72 0.00 0.00 177.10 173.93 2k3u n SER 56 N 1.45 1.41 0.27 -4.21 2.88 -1.26 -4.77 113.62 109.40 2k3u n SER 56 Ca -0.21 -0.00 0.14 0.00 -1.33 0.00 0.00 58.87 57.47 2k3u n SER 56 Cb 0.56 1.72 0.78 0.00 -0.75 0.00 0.00 64.21 66.51 2k3u n SER 56 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2k3u h ALA 57 N 1.44 1.31 0.00 -1.46 0.00 -1.99 -2.57 119.26 115.98 2k3u h ALA 57 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2k3u h ALA 57 Cb 0.72 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.49 2k3u h ALA 57 CO 0.00 0.11 0.00 -0.56 0.00 0.00 0.00 179.25 178.80 2k3u h GLN 58 N 0.00 0.00 -7.17 0.00 -0.00 -1.99 -3.46 115.11 102.49 2k3u h GLN 58 Ca -0.00 0.00 -0.49 0.00 -0.00 0.00 0.00 58.65 58.16 2k3u h GLN 58 Cb 0.27 0.00 0.06 0.00 -0.00 0.00 0.00 27.48 27.81 2k3u h GLN 58 CO 0.01 0.00 0.38 -0.06 -0.00 0.00 0.00 178.83 179.16 2k3u s PHE 59 N -3.18 2.94 0.00 0.06 0.08 -0.97 -3.35 117.98 113.56 2k3u s PHE 59 Ca 0.08 1.53 0.00 0.00 0.12 0.00 0.00 56.93 58.66 2k3u s PHE 59 Cb 0.08 -3.05 0.00 0.00 -0.57 0.00 0.00 43.02 39.48 2k3u s PHE 59 CO 0.64 -1.15 0.00 -1.91 -0.10 0.00 0.00 175.22 172.70 2k3u n GLU 60 N -1.85 0.00 -4.13 0.44 2.13 0.46 -4.67 120.64 113.02 2k3u n GLU 60 Ca 0.09 0.00 -0.12 0.00 0.66 0.00 0.00 57.16 57.79 2k3u n GLU 60 Cb 0.53 -0.68 -0.08 0.00 0.27 0.00 0.00 31.44 31.48 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 -1.47 1.45 0.15 5.31 -2.85 -0.91 -0.36 119.74 121.06 2k3u s LYS 61 Ca 0.00 -1.56 0.01 0.00 -1.00 0.00 0.00 55.97 53.42 2k3u s LYS 61 Cb 0.00 0.36 -0.04 0.00 -2.06 0.00 0.00 37.83 36.09 2k3u s LYS 61 CO 0.00 -0.55 0.01 0.00 0.10 0.00 0.00 175.35 174.91 2k3u s MET 62 N -3.91 1.01 -0.03 1.78 0.23 0.09 -0.72 119.30 117.75 2k3u s MET 62 Ca 0.33 -1.47 0.00 0.00 -1.03 0.00 0.00 55.69 53.52 2k3u s MET 62 Cb 0.03 -0.10 0.03 0.00 -1.53 0.00 0.00 34.83 33.26 2k3u s MET 62 CO 0.13 -0.15 0.00 0.54 -2.03 0.00 0.00 175.02 173.51 2k3u s VAL 63 N -3.77 0.14 -0.13 5.16 0.11 0.47 -0.99 120.40 121.39 2k3u s VAL 63 Ca 0.22 0.09 -0.02 0.00 -2.93 0.00 0.00 61.98 59.34 2k3u s VAL 63 Cb 0.06 -0.24 -0.02 0.00 -1.53 0.00 0.00 36.38 34.65 2k3u s VAL 63 CO 0.02 0.13 -0.06 -0.63 -3.33 0.00 0.00 175.10 171.22 2k3u s ILE 64 N 0.97 3.66 -0.31 7.04 1.01 -0.18 -0.83 121.20 132.56 2k3u s ILE 64 Ca -0.10 -0.45 -0.01 0.00 0.00 0.00 0.00 60.65 60.09 2k3u s ILE 64 Cb -0.13 -2.57 0.06 0.00 0.01 0.00 0.00 42.46 39.83 2k3u s ILE 64 CO -0.02 0.52 0.02 -0.76 0.00 0.00 0.00 174.94 174.70 2k3u s LEU 65 N 0.15 4.08 0.38 2.97 1.43 -0.15 -1.43 118.68 126.11 2k3u s LEU 65 Ca -0.03 -1.44 0.07 0.00 -1.03 0.00 0.00 54.13 51.71 2k3u s LEU 65 Cb -0.14 -1.71 -0.00 0.00 0.03 0.00 0.00 46.19 44.37 2k3u s LEU 65 CO 0.03 -0.30 0.50 0.42 0.23 0.00 0.00 176.35 177.24 2k3u s THR 66 N 1.20 3.51 0.94 5.49 -4.23 -0.76 -2.36 115.64 119.43 2k3u s THR 66 Ca -0.03 -1.03 -0.13 0.00 -1.18 0.00 0.00 61.69 59.32 2k3u s THR 66 Cb -0.20 -3.20 0.04 0.00 1.34 0.00 0.00 72.50 70.48 2k3u s THR 66 CO -0.02 -0.08 0.44 -0.62 -0.54 0.00 0.00 174.62 173.80 2k3u n GLU 67 N -1.72 -0.26 -3.54 3.99 1.02 -0.78 -3.72 120.64 115.63 2k3u n GLU 67 Ca 0.04 -0.03 -0.22 0.00 -0.02 0.00 0.00 57.16 56.92 2k3u n GLU 67 Cb 0.59 -1.88 0.08 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 -1.37 -5.30 -0.42 1.62 3.02 -1.22 -2.73 115.26 108.86 2k3u n ASN 68 Ca 0.07 -0.55 -0.05 0.00 -0.03 0.00 0.00 54.58 54.02 2k3u n ASN 68 Cb 0.53 -4.98 -0.02 0.00 -0.61 0.00 0.00 39.78 34.70 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 -4.73 -1.48 -2.09 3.52 5.02 0.41 -4.84 118.16 113.97 2k3u n LYS 69 Ca -0.06 0.63 -0.42 0.00 -2.02 0.00 0.00 58.31 56.43 2k3u n LYS 69 Cb 0.58 -4.84 -0.03 0.00 -0.02 0.00 0.00 35.03 30.73 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 -2.26 1.75 -0.21 0.72 0.00 -1.25 -4.95 107.32 101.12 2k3u s GLY 70 Ca 0.00 1.06 -0.01 0.00 0.00 0.00 0.00 44.72 45.77 2k3u s GLY 70 CO 0.00 2.63 -0.03 -0.47 0.00 0.00 0.00 173.10 175.23 2k3u s TYR 71 N 2.22 1.88 -0.30 1.90 6.14 -1.26 -1.82 117.35 126.11 2k3u s TYR 71 Ca 0.68 -1.38 0.02 0.00 0.64 0.00 0.00 57.07 57.03 2k3u s TYR 71 Cb -0.36 -1.37 0.09 0.00 0.42 0.00 0.00 41.96 40.73 2k3u s TYR 71 CO 0.29 -0.70 0.02 0.71 0.64 0.00 0.00 175.55 176.51 2k3u s TYR 72 N 1.57 2.91 0.26 4.97 1.51 -0.52 -4.94 117.35 123.11 2k3u s TYR 72 Ca -0.03 -2.34 -0.29 0.00 -1.01 0.00 0.00 57.07 53.39 2k3u s TYR 72 Cb -0.18 -2.22 -0.09 0.00 -0.11 0.00 0.00 41.96 39.36 2k3u s TYR 72 CO -0.07 -0.88 1.18 0.99 -1.11 0.00 0.00 175.55 175.65 2k3u s THR 73 N 1.21 3.33 -0.03 -0.71 2.01 -1.26 -1.01 115.64 119.17 2k3u s THR 73 Ca 0.05 1.27 -0.00 0.00 0.31 0.00 0.00 61.69 63.31 2k3u s THR 73 Cb -0.19 -3.81 0.03 0.00 0.01 0.00 0.00 72.50 68.54 2k3u s THR 73 CO -0.11 0.27 0.02 -0.69 -0.69 0.00 0.00 174.62 173.42 2k3u s VAL 74 N -0.81 0.06 -0.35 3.82 1.01 -0.16 -4.98 120.40 118.99 2k3u s VAL 74 Ca 0.48 0.21 -0.24 0.00 0.00 0.00 0.00 61.98 62.43 2k3u s VAL 74 Cb -0.34 -0.22 0.01 0.00 0.00 0.00 0.00 36.38 35.83 2k3u s VAL 74 CO 0.42 0.15 0.82 -0.31 0.00 0.00 0.00 175.10 176.18 2k3u s TYR 75 N 1.43 3.13 -0.19 5.22 2.02 -1.26 -0.73 117.35 126.96 2k3u s TYR 75 Ca -0.04 0.68 0.18 0.00 -0.37 0.00 0.00 57.07 57.52 2k3u s TYR 75 Cb -0.13 -3.41 0.24 0.00 -0.40 0.00 0.00 41.96 38.26 2k3u s TYR 75 CO -0.03 -0.71 1.53 -0.07 -1.57 0.00 0.00 175.55 174.71 2k3u h LEU 76 N 9.74 0.00 0.00 -1.29 3.38 -1.03 -3.27 115.31 122.85 2k3u h LEU 76 Ca -0.24 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.73 2k3u h LEU 76 Cb 1.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.84 2k3u h LEU 76 CO 0.92 0.35 0.00 -0.46 0.09 0.00 0.00 178.44 179.34 2k3u n ASN 77 N -3.22 0.00 -3.81 -0.43 6.94 -1.10 -4.58 115.26 109.07 2k3u n ASN 77 Ca 0.02 -0.71 -0.12 0.00 -0.02 0.00 0.00 54.58 53.74 2k3u n ASN 77 Cb 0.65 0.00 -0.11 0.00 -2.36 0.00 0.00 39.78 37.95 2k3u n ASN 77 CO 0.00 0.00 0.00 0.28 -1.03 0.00 0.00 177.26 176.51 2k3u s THR 78 N -2.00 0.02 0.42 5.53 -1.32 -1.23 -5.16 115.64 111.89 2k3u s THR 78 Ca 0.04 -0.16 -0.23 0.00 -1.21 0.00 0.00 61.69 60.13 2k3u s THR 78 Cb 0.02 -0.34 -0.11 0.00 -1.51 0.00 0.00 72.50 70.55 2k3u s THR 78 CO 0.03 -0.09 0.82 -2.65 -2.21 0.00 0.00 174.62 170.53 2k3u n PRO 79 N 2.58 1.00 -1.69 7.08 -0.02 -1.26 -4.90 135.00 137.79 2k3u n PRO 79 Ca -0.15 0.36 -0.42 0.00 -2.02 0.00 0.00 63.50 61.27 2k3u n PRO 79 Cb 0.58 -1.81 0.00 0.00 -0.02 0.00 0.00 33.50 32.24 2k3u n PRO 79 CO 0.00 0.00 0.00 1.47 1.98 0.00 0.00 175.50 178.95 2k3u n LEU 80 N 0.79 3.69 -4.65 2.45 -0.00 -1.26 -4.91 117.00 113.11 2k3u n LEU 80 Ca 0.11 1.16 -0.42 0.00 -0.00 0.00 0.00 56.01 56.85 2k3u n LEU 80 Cb 0.39 -1.48 -0.03 0.00 -0.00 0.00 0.00 43.42 42.30 2k3u n LEU 80 CO 0.56 -0.60 1.54 0.00 -0.00 0.00 0.00 177.39 178.89 2k3u s ALA 81 N -1.14 3.47 0.51 1.47 0.00 -1.26 -4.89 121.76 119.92 2k3u s ALA 81 Ca 0.58 1.08 0.41 0.00 0.00 0.00 0.00 51.96 54.03 2k3u s ALA 81 Cb -0.54 -3.84 2.20 0.00 0.00 0.00 0.00 23.12 20.93 2k3u s ALA 81 CO 0.60 -1.69 2.26 1.05 0.00 0.00 0.00 175.76 177.98 2k3u h GLU 82 N 10.78 0.00 0.00 0.00 4.11 -2.04 -1.05 114.58 126.38 2k3u h GLU 82 Ca -0.44 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 58.96 2k3u h GLU 82 Cb 1.21 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.46 2k3u h GLU 82 CO 0.95 0.00 -0.13 -0.44 0.07 0.00 0.00 179.01 179.46 2k3u h ASP 83 N 0.00 0.00 -0.04 3.06 3.32 -2.02 -2.78 116.42 117.95 2k3u h ASP 83 Ca 0.00 0.00 0.01 0.00 0.02 0.00 0.00 57.03 57.06 2k3u h ASP 83 Cb 0.05 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.60 2k3u h ASP 83 CO 0.00 0.13 0.07 0.03 -1.72 0.00 0.00 179.24 177.75 2k3u h ARG 84 N 0.00 0.00 0.00 3.56 3.08 -1.58 -1.88 114.38 117.56 2k3u h ARG 84 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2k3u h ARG 84 Cb 0.36 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.41 2k3u h ARG 84 CO 0.02 0.00 0.00 1.63 -1.07 0.00 0.00 179.97 180.55 2k3u n LYS 85 N -3.55 0.01 0.00 0.04 5.02 -1.05 -0.54 118.16 118.09 2k3u n LYS 85 Ca -0.02 0.28 0.00 0.00 -2.02 0.00 0.00 58.31 56.55 2k3u n LYS 85 Cb 0.16 -1.52 0.00 0.00 -0.02 0.00 0.00 35.03 33.65 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 -1.53 0.41 -4.80 4.39 3.02 -0.72 -4.79 115.26 111.24 2k3u n ASN 86 Ca 0.03 -0.73 -0.36 0.00 -0.03 0.00 0.00 54.58 53.49 2k3u n ASN 86 Cb 0.16 0.28 -0.07 0.00 -0.61 0.00 0.00 39.78 39.54 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 -0.28 4.31 0.58 2.41 0.11 -1.14 -5.05 120.40 121.34 2k3u s VAL 87 Ca 0.00 1.65 -0.14 0.00 -2.93 0.00 0.00 61.98 60.55 2k3u s VAL 87 Cb 0.00 -3.88 -0.05 0.00 -1.53 0.00 0.00 36.38 30.93 2k3u s VAL 87 CO 0.00 0.02 1.02 -1.61 -3.33 0.00 0.00 175.10 171.20 2k3u s GLU 88 N -2.36 3.58 -0.24 1.54 0.41 -1.26 -3.47 118.70 116.89 2k3u s GLU 88 Ca 0.52 0.98 -0.08 0.00 -0.41 0.00 0.00 54.97 55.99 2k3u s GLU 88 Cb -0.16 -2.08 -0.03 0.00 -1.78 0.00 0.00 34.13 30.08 2k3u s GLU 88 CO 0.20 -0.58 0.08 -0.51 -0.49 0.00 0.00 175.26 173.96 2k3u s LEU 89 N -4.61 3.55 0.52 1.80 1.43 -1.25 -4.69 118.68 115.43 2k3u s LEU 89 Ca 0.59 -0.15 0.26 0.00 -1.03 0.00 0.00 54.13 53.81 2k3u s LEU 89 Cb -0.12 -1.95 1.38 0.00 0.03 0.00 0.00 46.19 45.53 2k3u s LEU 89 CO 0.41 -0.01 1.94 -0.07 0.23 0.00 0.00 176.35 178.85 2k3u h LEU 90 N 8.04 0.06 0.00 1.79 3.38 -1.92 -3.45 115.31 123.21 2k3u h LEU 90 Ca -0.37 0.00 0.04 0.00 0.09 0.00 0.00 57.88 57.64 2k3u h LEU 90 Cb 1.18 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.91 2k3u h LEU 90 CO 0.59 0.03 0.15 0.61 0.09 0.00 0.00 178.44 179.90 2k3u n GLY 91 N -1.65 1.16 3.75 0.83 0.00 -1.11 -4.56 105.19 103.61 2k3u n GLY 91 Ca 0.14 -0.98 -0.37 0.00 0.00 0.00 0.00 46.02 44.81 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 3.09 -0.52 1.61 2.47 -1.26 -4.43 119.74 118.69 2k3u s LYS 92 Ca 0.06 1.98 -0.13 0.00 -1.56 0.00 0.00 55.97 56.32 2k3u s LYS 92 Cb -0.01 -2.09 -0.12 0.00 -1.46 0.00 0.00 37.83 34.15 2k3u s LYS 92 CO 0.02 -1.15 1.72 -0.12 0.16 0.00 0.00 175.35 175.97 2k3u n MET 93 N -1.29 1.11 -0.03 4.03 0.00 -0.62 -1.87 117.12 118.45 2k3u n MET 93 Ca 0.12 -1.28 -0.09 0.00 0.00 0.00 0.00 57.70 56.45 2k3u n MET 93 Cb 0.48 -2.49 -0.03 0.00 0.00 0.00 0.00 33.22 31.18 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 7.74 0.08 -3.07 1.12 3.20 -1.36 -3.01 116.97 121.68 2k3u h TYR 94 Ca 0.33 0.01 -0.04 0.00 3.14 0.00 0.00 58.73 62.16 2k3u h TYR 94 Cb 0.36 -0.01 -0.13 0.00 1.54 0.00 0.00 36.73 38.48 2k3u h TYR 94 CO 1.62 0.03 0.07 0.21 -1.64 0.00 0.00 178.16 178.45 2k3u s LYS 95 N -6.18 1.14 0.01 1.82 2.47 -0.99 -1.94 119.74 116.07 2k3u s LYS 95 Ca -0.13 -0.49 -0.01 0.00 -1.56 0.00 0.00 55.97 53.77 2k3u s LYS 95 Cb 0.09 0.52 -0.01 0.00 -1.46 0.00 0.00 37.83 36.97 2k3u s LYS 95 CO 0.68 -0.46 0.01 0.99 0.16 0.00 0.00 175.35 176.73 2k3u s THR 96 N -3.43 0.09 0.11 3.43 2.01 -0.36 -0.97 115.64 116.50 2k3u s THR 96 Ca 0.00 -0.71 0.08 0.00 0.31 0.00 0.00 61.69 61.37 2k3u s THR 96 Cb 0.00 -0.25 -0.04 0.00 0.01 0.00 0.00 72.50 72.22 2k3u s THR 96 CO -0.10 -0.39 -0.19 -0.31 -0.69 0.00 0.00 174.62 172.94 2k3u s TYR 97 N -1.18 1.69 0.07 4.92 1.51 -0.01 -1.42 117.35 122.94 2k3u s TYR 97 Ca -0.13 -0.44 0.04 0.00 -1.01 0.00 0.00 57.07 55.53 2k3u s TYR 97 Cb -0.08 -0.91 -0.03 0.00 -0.11 0.00 0.00 41.96 40.83 2k3u s TYR 97 CO -0.00 0.20 -0.12 -0.06 -1.11 0.00 0.00 175.55 174.46 2k3u s PHE 98 N -1.39 1.08 -0.02 2.71 0.40 -0.05 -0.39 117.98 120.31 2k3u s PHE 98 Ca 0.07 -0.51 -0.00 0.00 -0.60 0.00 0.00 56.93 55.89 2k3u s PHE 98 Cb -0.09 -0.61 0.03 0.00 0.51 0.00 0.00 43.02 42.86 2k3u s PHE 98 CO 0.04 0.02 0.04 -0.06 0.70 0.00 0.00 175.22 175.97 2k3u s PHE 99 N -1.56 0.00 1.01 0.36 0.40 0.10 -3.58 117.98 114.71 2k3u s PHE 99 Ca -0.02 0.17 -0.16 0.00 -0.60 0.00 0.00 56.93 56.32 2k3u s PHE 99 Cb -0.08 -0.20 0.21 0.00 0.51 0.00 0.00 43.02 43.46 2k3u s PHE 99 CO 0.01 -0.09 1.25 0.15 0.70 0.00 0.00 175.22 177.25 2k3u s LYS 100 N 1.00 0.32 -0.26 0.44 3.01 -1.26 -0.41 119.74 122.58 2k3u s LYS 100 Ca -0.08 -0.26 -0.39 0.00 -1.01 0.00 0.00 55.97 54.23 2k3u s LYS 100 Cb -0.12 -1.79 -0.15 0.00 -1.01 0.00 0.00 37.83 34.76 2k3u s LYS 100 CO -0.03 -2.65 1.78 1.63 0.51 0.00 0.00 175.35 176.58 2k3u n LYS 101 N -3.97 1.31 -0.83 1.68 5.02 -1.21 -2.65 118.16 117.50 2k3u n LYS 101 Ca 0.14 0.48 0.00 0.00 -2.02 0.00 0.00 58.31 56.91 2k3u n LYS 101 Cb 0.60 -2.19 0.00 0.00 -0.02 0.00 0.00 35.03 33.42 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 4.28 0.55 3.72 0.72 0.00 -1.26 -5.02 105.19 108.17 2k3u n GLY 102 Ca 0.26 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.47 1.59 0.00 1.61 2.02 -1.08 -5.01 118.70 117.35 2k3u s GLU 103 Ca 0.00 1.36 0.00 0.00 0.02 0.00 0.00 54.97 56.35 2k3u s GLU 103 Cb 0.00 -1.81 0.00 0.00 0.10 0.00 0.00 34.13 32.42 2k3u s GLU 103 CO 0.00 -2.17 0.59 -1.13 0.02 0.00 0.00 175.26 172.57 2k3u n SER 104 N -3.90 0.86 -3.83 -0.19 3.41 -1.26 -4.98 113.62 103.72 2k3u n SER 104 Ca 0.10 -1.34 -0.13 0.00 -0.26 0.00 0.00 58.87 57.24 2k3u n SER 104 Cb 0.53 0.00 -0.15 0.00 -0.26 0.00 0.00 64.21 64.33 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 -0.34 -0.00 0.71 4.33 2.20 -1.26 -5.16 119.74 120.21 2k3u s LYS 105 Ca 0.00 0.08 -0.13 0.00 -0.36 0.00 0.00 55.97 55.56 2k3u s LYS 105 Cb 0.00 -0.08 0.02 0.00 -1.51 0.00 0.00 37.83 36.26 2k3u s LYS 105 CO 0.00 -0.06 1.10 0.45 -0.36 0.00 0.00 175.35 176.48 2k3u s SER 106 N 0.38 4.89 0.00 1.43 0.15 -1.26 -4.95 113.70 114.33 2k3u s SER 106 Ca -0.03 1.90 0.00 0.00 0.70 0.00 0.00 55.95 58.52 2k3u s SER 106 Cb -0.05 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.73 2k3u s SER 106 CO -0.01 -1.78 0.59 -1.20 1.20 0.00 0.00 173.24 172.04 2k3u n SER 107 N -2.91 0.80 -3.77 5.45 7.64 -1.23 -5.03 113.62 114.56 2k3u n SER 107 Ca 0.10 -1.33 -0.13 0.00 1.01 0.00 0.00 58.87 58.51 2k3u n SER 107 Cb 0.53 0.00 -0.14 0.00 -1.01 0.00 0.00 64.21 63.58 2k3u n SER 107 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 2k3u s TYR 108 N -0.33 -0.14 0.02 1.43 5.04 -1.26 -5.05 117.35 117.07 2k3u s TYR 108 Ca 0.00 0.40 -0.12 0.00 -2.44 0.00 0.00 57.07 54.92 2k3u s TYR 108 Cb 0.00 -0.06 0.01 0.00 0.35 0.00 0.00 41.96 42.26 2k3u s TYR 108 CO 0.00 -0.13 0.24 0.54 -1.34 0.00 0.00 175.55 174.86 2k3u s VAL 109 N 0.84 0.09 -0.04 3.14 0.11 -1.26 -0.87 120.40 122.40 2k3u s VAL 109 Ca -0.06 -0.71 -0.03 0.00 -2.93 0.00 0.00 61.98 58.24 2k3u s VAL 109 Cb -0.08 -0.78 0.02 0.00 -1.53 0.00 0.00 36.38 34.00 2k3u s VAL 109 CO -0.04 -0.39 0.10 -0.63 -3.33 0.00 0.00 175.10 170.81 2k3u s ILE 110 N -2.10 -0.01 0.19 7.04 1.01 -0.51 -5.00 121.20 121.82 2k3u s ILE 110 Ca -0.08 0.04 0.07 0.00 0.00 0.00 0.00 60.65 60.67 2k3u s ILE 110 Cb -0.03 -0.16 -0.04 0.00 0.01 0.00 0.00 42.46 42.25 2k3u s ILE 110 CO -0.01 0.02 0.08 0.20 0.00 0.00 0.00 174.94 175.23 2k3u s ASN 111 N 0.28 5.15 0.01 3.58 -0.87 -1.26 -1.23 114.94 120.61 2k3u s ASN 111 Ca -0.02 -0.30 -0.02 0.00 -1.57 0.00 0.00 52.86 50.96 2k3u s ASN 111 Cb -0.03 -1.22 0.01 0.00 -0.02 0.00 0.00 41.25 39.98 2k3u s ASN 111 CO -0.01 0.05 0.08 0.61 -2.57 0.00 0.00 177.10 175.27 2k3u n GLY 112 N -0.45 1.17 3.73 0.66 0.00 -0.82 -4.93 105.19 104.55 2k3u n GLY 112 Ca -0.09 -0.93 -0.42 0.00 0.00 0.00 0.00 46.02 44.59 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 -2.00 4.31 0.00 1.61 0.04 -1.14 -4.36 135.00 133.45 2k3u s PRO 113 Ca 0.02 2.19 0.00 0.00 0.04 0.00 0.00 61.00 63.25 2k3u s PRO 113 Cb -0.00 -3.16 0.00 0.00 0.04 0.00 0.00 34.50 31.38 2k3u s PRO 113 CO 0.00 -0.39 0.00 0.41 0.04 0.00 0.00 177.00 177.06 2k3u n GLY 114 N 2.62 3.96 0.00 0.56 0.00 -1.26 -1.59 105.19 109.48 2k3u n GLY 114 Ca 0.08 -1.10 0.00 0.00 0.00 0.00 0.00 46.02 45.00 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 -1.54 2.34 -3.66 1.61 4.81 -1.26 -4.82 118.16 115.65 2k3u n LYS 115 Ca 0.00 0.00 -0.14 0.00 -0.87 0.00 0.00 58.31 57.30 2k3u n LYS 115 Cb 0.00 -0.71 -0.08 0.00 0.02 0.00 0.00 35.03 34.26 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 -1.20 0.00 -0.48 3.15 -1.32 -1.26 -5.03 115.64 109.50 2k3u s THR 116 Ca 0.00 -0.04 0.25 0.00 -1.21 0.00 0.00 61.69 60.69 2k3u s THR 116 Cb 0.00 -0.83 0.33 0.00 -1.51 0.00 0.00 72.50 70.49 2k3u s THR 116 CO 0.00 -0.02 1.69 0.78 -2.21 0.00 0.00 174.62 174.86 2k3u h ASN 117 N 4.79 0.00 0.52 8.08 4.21 -1.94 -3.36 115.58 127.88 2k3u h ASN 117 Ca -0.28 0.00 -0.01 0.00 1.21 0.00 0.00 56.30 57.22 2k3u h ASN 117 Cb 1.17 0.00 -0.00 0.00 -1.12 0.00 0.00 38.32 38.36 2k3u h ASN 117 CO 0.19 0.00 -0.03 -0.33 -1.29 0.00 0.00 177.43 175.97 2k3u h GLU 118 N 0.00 0.00 0.00 0.81 5.08 -1.95 0.12 114.58 118.64 2k3u h GLU 118 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2k3u h GLU 118 Cb 0.87 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.12 2k3u h GLU 118 CO 0.00 0.03 0.00 2.48 -1.00 0.00 0.00 179.01 180.52 2k3u n TYR 119 N -3.20 0.00 -0.85 4.33 4.11 -1.26 -4.70 117.16 115.60 2k3u n TYR 119 Ca -0.01 0.00 -0.19 0.00 -0.00 0.00 0.00 57.90 57.70 2k3u n TYR 119 Cb 0.21 0.00 -0.07 0.00 -0.00 0.00 0.00 39.34 39.47 2k3u n TYR 119 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 2k3u n ALA 120 N -0.14 5.41 -1.37 -3.48 0.00 -1.26 -4.85 120.51 114.81 2k3u n ALA 120 Ca 0.00 -1.97 0.00 0.00 0.00 0.00 0.00 53.44 51.47 2k3u n ALA 120 Cb 0.00 -2.72 0.00 0.00 0.00 0.00 0.00 19.45 16.73 2k3u n ALA 120 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48