#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 2.88 -1.26 -5.08 113.62 116.57 2k3u n SER 32 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 2k3u n SER 32 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 2k3u n SER 32 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2k3u n GLY 33 N -0.98 0.91 3.68 0.46 0.00 -1.26 -5.04 105.19 102.97 2k3u n GLY 33 Ca 0.00 -0.59 -0.42 0.00 0.00 0.00 0.00 46.02 45.01 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 4.39 0.62 0.99 1.43 -1.26 -4.95 118.68 119.89 2k3u s LEU 34 Ca 0.00 2.64 -0.15 0.00 -1.03 0.00 0.00 54.13 55.59 2k3u s LEU 34 Cb 0.00 -3.56 -0.03 0.00 0.03 0.00 0.00 46.19 42.64 2k3u s LEU 34 CO 0.00 -0.97 1.06 -2.16 0.23 0.00 0.00 176.35 174.50 2k3u s PRO 35 N 3.05 3.22 -0.39 1.29 0.04 -1.26 -4.99 135.00 135.97 2k3u s PRO 35 Ca 0.80 1.15 0.10 0.00 0.04 0.00 0.00 61.00 63.09 2k3u s PRO 35 Cb -0.43 -2.02 0.39 0.00 0.04 0.00 0.00 34.50 32.48 2k3u s PRO 35 CO 0.36 -0.88 1.39 -2.37 0.04 0.00 0.00 177.00 175.53 2k3u n THR 36 N -2.27 0.00 -4.20 1.26 5.66 -1.26 -5.14 114.28 108.32 2k3u n THR 36 Ca 0.08 -1.39 -0.13 0.00 -3.05 0.00 0.00 64.05 59.56 2k3u n THR 36 Cb 0.53 1.00 -0.10 0.00 -1.55 0.00 0.00 70.33 70.20 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 0.18 0.96 0.48 1.09 -4.23 -1.26 -1.35 115.64 111.51 2k3u s THR 37 Ca 0.19 -1.88 0.24 0.00 -1.18 0.00 0.00 61.69 59.07 2k3u s THR 37 Cb 0.41 -1.63 0.43 0.00 1.34 0.00 0.00 72.50 73.05 2k3u s THR 37 CO -0.10 -0.71 1.88 -0.07 -0.54 0.00 0.00 174.62 175.08 2k3u h LEU 38 N 3.11 0.20 -1.29 4.79 3.38 -1.49 -2.83 115.31 121.16 2k3u h LEU 38 Ca -0.36 0.02 0.17 0.00 0.09 0.00 0.00 57.88 57.80 2k3u h LEU 38 Cb 1.18 -0.01 -0.08 0.00 0.09 0.00 0.00 40.66 41.84 2k3u h LEU 38 CO 0.60 0.08 0.59 1.23 0.09 0.00 0.00 178.44 181.03 2k3u h GLY 39 N 0.19 1.22 0.96 0.83 0.00 -1.12 0.23 103.07 105.40 2k3u h GLY 39 Ca 0.43 -0.28 -0.34 0.00 0.00 0.00 0.00 47.33 47.14 2k3u h GLY 39 CO -0.09 0.03 -1.73 0.50 0.00 0.00 0.00 176.54 175.25 2k3u h LYS 40 N 0.63 0.32 -0.89 4.80 1.79 -1.81 -3.15 116.57 118.25 2k3u h LYS 40 Ca 0.48 -0.56 -0.01 0.00 -2.18 0.00 0.00 60.65 58.39 2k3u h LYS 40 Cb 0.89 0.21 -0.04 0.00 -1.58 0.00 0.00 32.23 31.70 2k3u h LYS 40 CO -0.23 1.22 0.52 1.25 -1.08 0.00 0.00 179.45 181.13 2k3u h LEU 41 N 0.09 1.09 -0.71 2.94 6.46 -1.43 -2.26 115.31 121.49 2k3u h LEU 41 Ca -0.33 -0.07 0.02 0.00 -0.12 0.00 0.00 57.88 57.38 2k3u h LEU 41 Cb 2.07 -0.27 -0.04 0.00 -0.73 0.00 0.00 40.66 41.68 2k3u h LEU 41 CO 0.16 0.85 0.46 -0.78 -0.62 0.00 0.00 178.44 178.50 2k3u h ASP 42 N 1.24 0.78 -0.95 1.25 3.58 -0.69 0.25 116.42 121.87 2k3u h ASP 42 Ca 0.32 -0.01 -0.00 0.00 0.42 0.00 0.00 57.03 57.76 2k3u h ASP 42 Cb -0.03 -0.18 -0.05 0.00 1.72 0.00 0.00 39.33 40.80 2k3u h ASP 42 CO -0.06 0.55 0.59 -0.08 -2.88 0.00 0.00 179.24 177.36 2k3u h GLU 43 N 0.92 1.28 -0.15 0.28 4.81 -1.43 0.73 114.58 121.03 2k3u h GLU 43 Ca 0.27 -0.11 -0.01 0.00 -0.13 0.00 0.00 59.36 59.38 2k3u h GLU 43 Cb -0.05 -0.27 -0.01 0.00 0.63 0.00 0.00 28.75 29.05 2k3u h GLU 43 CO -0.08 0.88 0.03 -0.09 -0.73 0.00 0.00 179.01 179.02 2k3u h ARG 44 N 1.31 0.23 -0.50 1.92 2.43 -1.09 -2.66 114.38 116.03 2k3u h ARG 44 Ca 0.34 -0.06 -0.09 0.00 -0.81 0.00 0.00 59.98 59.36 2k3u h ARG 44 Cb -0.08 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.42 2k3u h ARG 44 CO -0.07 0.39 -0.07 -0.07 -1.51 0.00 0.00 179.97 178.65 2k3u h LEU 45 N 0.03 0.87 -1.34 3.80 3.38 -0.49 0.14 115.31 121.70 2k3u h LEU 45 Ca 0.05 -0.25 -0.01 0.00 0.09 0.00 0.00 57.88 57.75 2k3u h LEU 45 Cb 0.26 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.76 2k3u h LEU 45 CO 0.00 0.97 0.27 0.03 0.09 0.00 0.00 178.44 179.80 2k3u h ARG 46 N 0.80 0.72 -0.29 1.13 3.08 -0.94 -2.27 114.38 116.62 2k3u h ARG 46 Ca 0.14 -0.08 -0.15 0.00 0.07 0.00 0.00 59.98 59.97 2k3u h ARG 46 Cb 0.57 -0.15 -0.00 0.00 0.08 0.00 0.00 29.97 30.47 2k3u h ARG 46 CO 0.03 0.54 -0.40 -0.91 -1.07 0.00 0.00 179.97 178.17 2k3u h ASN 47 N 0.73 0.85 -0.63 7.04 2.35 -1.00 -3.26 115.58 121.65 2k3u h ASN 47 Ca 0.19 -0.50 0.16 0.00 -0.55 0.00 0.00 56.30 55.59 2k3u h ASN 47 Cb 0.04 -0.24 -0.03 0.00 0.05 0.00 0.00 38.32 38.14 2k3u h ASN 47 CO -0.03 1.19 0.44 1.88 -1.65 0.00 0.00 177.43 179.26 2k3u h TYR 48 N 0.54 0.14 0.25 1.19 0.05 -0.19 0.56 116.97 119.50 2k3u h TYR 48 Ca 0.03 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.80 2k3u h TYR 48 Cb 0.99 -0.04 0.00 0.00 1.01 0.00 0.00 36.73 38.69 2k3u h TYR 48 CO 0.07 0.05 -0.12 -0.07 -1.05 0.00 0.00 178.16 177.05 2k3u h LEU 49 N 0.12 -0.28 -0.80 3.88 3.38 -1.50 -0.87 115.31 119.24 2k3u h LEU 49 Ca 0.30 -0.20 -0.04 0.00 0.09 0.00 0.00 57.88 58.03 2k3u h LEU 49 Cb 1.03 0.07 -0.04 0.00 0.09 0.00 0.00 40.66 41.82 2k3u h LEU 49 CO -0.04 0.07 0.33 0.11 0.09 0.00 0.00 178.44 179.00 2k3u h LYS 50 N -0.66 1.18 0.00 1.13 1.57 -1.39 0.56 116.57 118.96 2k3u h LYS 50 Ca -0.03 -0.21 0.00 0.00 -1.87 0.00 0.00 60.65 58.54 2k3u h LYS 50 Cb 0.46 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 32.58 2k3u h LYS 50 CO 0.06 0.95 0.00 1.63 -0.57 0.00 0.00 179.45 181.52 2k3u n LYS 51 N -4.29 0.10 0.00 3.15 5.02 0.10 -4.40 118.16 117.84 2k3u n LYS 51 Ca 0.07 0.14 0.00 0.00 -2.02 0.00 0.00 58.31 56.50 2k3u n LYS 51 Cb 0.18 -1.63 0.00 0.00 -0.02 0.00 0.00 35.03 33.56 2k3u n LYS 51 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2k3u n GLY 52 N 1.12 0.95 3.57 0.72 0.00 -0.33 -5.01 105.19 106.21 2k3u n GLY 52 Ca 0.06 0.00 -0.26 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 -0.24 3.19 0.41 2.61 -4.23 0.15 -5.00 115.64 112.53 2k3u s THR 53 Ca 0.00 -1.70 0.13 0.00 -1.18 0.00 0.00 61.69 58.95 2k3u s THR 53 Cb 0.00 -2.59 0.14 0.00 1.34 0.00 0.00 72.50 71.39 2k3u s THR 53 CO 0.00 -0.14 1.91 0.11 -0.54 0.00 0.00 174.62 175.97 2k3u h LYS 54 N 2.82 0.02 -2.16 3.99 1.57 -1.91 -3.41 116.57 117.48 2k3u h LYS 54 Ca -0.46 -0.01 -0.20 0.00 -1.87 0.00 0.00 60.65 58.11 2k3u h LYS 54 Cb 1.21 -0.00 -0.31 0.00 0.08 0.00 0.00 32.23 33.20 2k3u h LYS 54 CO 0.55 0.28 -0.52 1.21 -0.57 0.00 0.00 179.45 180.40 2k3u s ASN 55 N -6.97 0.52 0.36 0.86 2.47 -1.26 -5.04 114.94 105.88 2k3u s ASN 55 Ca -0.04 0.18 0.16 0.00 0.42 0.00 0.00 52.86 53.58 2k3u s ASN 55 Cb 0.15 0.91 0.67 0.00 -1.45 0.00 0.00 41.25 41.52 2k3u s ASN 55 CO 0.71 -0.30 1.75 -1.28 -3.72 0.00 0.00 177.10 174.26 2k3u h SER 56 N 8.22 0.00 0.29 -4.21 0.87 -1.80 -3.36 113.55 113.57 2k3u h SER 56 Ca -0.18 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.38 2k3u h SER 56 Cb 1.15 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.11 2k3u h SER 56 CO 0.26 0.42 0.00 0.00 -0.53 0.00 0.00 176.83 176.97 2k3u n ALA 57 N -2.36 1.63 0.52 6.23 0.00 -1.26 -2.13 120.51 123.14 2k3u n ALA 57 Ca -0.01 -0.05 0.12 0.00 0.00 0.00 0.00 53.44 53.51 2k3u n ALA 57 Cb 0.49 -1.19 0.24 0.00 0.00 0.00 0.00 19.45 19.00 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 -6.78 0.00 3.07 -1.99 -3.48 115.11 105.93 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 0.15 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.69 2k3u h GLN 58 CO 0.00 0.00 0.11 -0.06 0.09 0.00 0.00 178.83 178.97 2k3u s PHE 59 N -3.16 3.41 0.00 0.06 0.08 -0.91 -0.43 117.98 117.04 2k3u s PHE 59 Ca 0.07 1.14 0.00 0.00 0.12 0.00 0.00 56.93 58.27 2k3u s PHE 59 Cb 0.12 -2.49 0.00 0.00 -0.57 0.00 0.00 43.02 40.08 2k3u s PHE 59 CO 0.68 0.01 0.00 -1.91 -0.10 0.00 0.00 175.22 173.89 2k3u n GLU 60 N -0.77 0.27 -4.05 0.44 2.13 0.01 -4.64 120.64 114.02 2k3u n GLU 60 Ca 0.03 0.00 -0.11 0.00 0.66 0.00 0.00 57.16 57.74 2k3u n GLU 60 Cb 0.53 -0.60 -0.06 0.00 0.27 0.00 0.00 31.44 31.59 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 -1.20 1.60 0.05 5.31 -2.85 -1.17 -0.76 119.74 120.71 2k3u s LYS 61 Ca 0.00 -1.45 -0.13 0.00 -1.00 0.00 0.00 55.97 53.39 2k3u s LYS 61 Cb 0.00 0.43 0.02 0.00 -2.06 0.00 0.00 37.83 36.22 2k3u s LYS 61 CO 0.00 -0.65 0.30 0.00 0.10 0.00 0.00 175.35 175.10 2k3u s MET 62 N -3.75 0.83 -0.02 1.78 0.23 -0.09 -1.06 119.30 117.21 2k3u s MET 62 Ca 0.27 -0.55 0.01 0.00 -1.03 0.00 0.00 55.69 54.39 2k3u s MET 62 Cb 0.01 0.36 0.02 0.00 -1.53 0.00 0.00 34.83 33.68 2k3u s MET 62 CO 0.12 -0.27 -0.01 0.54 -2.03 0.00 0.00 175.02 173.38 2k3u s VAL 63 N -2.72 0.17 -0.07 5.16 0.11 0.25 -0.99 120.40 122.30 2k3u s VAL 63 Ca -0.04 0.02 0.04 0.00 -2.93 0.00 0.00 61.98 59.07 2k3u s VAL 63 Cb -0.00 -0.22 0.00 0.00 -1.53 0.00 0.00 36.38 34.62 2k3u s VAL 63 CO -0.04 0.11 -0.19 -0.63 -3.33 0.00 0.00 175.10 171.02 2k3u s ILE 64 N 0.63 1.62 -0.32 7.04 1.01 0.09 -0.60 121.20 130.67 2k3u s ILE 64 Ca -0.06 -0.79 0.03 0.00 0.00 0.00 0.00 60.65 59.83 2k3u s ILE 64 Cb -0.09 -1.40 0.09 0.00 0.01 0.00 0.00 42.46 41.07 2k3u s ILE 64 CO -0.01 0.46 0.04 -0.76 0.00 0.00 0.00 174.94 174.66 2k3u s LEU 65 N 0.27 4.10 0.68 2.97 1.43 -0.21 -1.43 118.68 126.50 2k3u s LEU 65 Ca -0.11 -1.94 -0.02 0.00 -1.03 0.00 0.00 54.13 51.03 2k3u s LEU 65 Cb -0.15 -1.47 0.09 0.00 0.03 0.00 0.00 46.19 44.69 2k3u s LEU 65 CO 0.05 -0.36 0.95 0.42 0.23 0.00 0.00 176.35 177.64 2k3u s THR 66 N 1.07 2.31 1.00 5.49 -4.23 -0.48 -2.14 115.64 118.66 2k3u s THR 66 Ca 0.08 -0.52 -0.15 0.00 -1.18 0.00 0.00 61.69 59.91 2k3u s THR 66 Cb -0.19 -2.79 0.04 0.00 1.34 0.00 0.00 72.50 70.90 2k3u s THR 66 CO -0.10 0.00 0.17 -0.62 -0.54 0.00 0.00 174.62 173.53 2k3u n GLU 67 N -2.75 -0.61 -2.93 3.99 1.02 -0.40 -3.71 120.64 115.25 2k3u n GLU 67 Ca 0.12 -0.15 -0.21 0.00 -0.02 0.00 0.00 57.16 56.90 2k3u n GLU 67 Cb 0.60 -1.74 0.03 0.00 -0.02 0.00 0.00 31.44 30.32 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 -0.97 -5.91 -1.91 1.62 3.02 -0.46 -3.18 115.26 107.46 2k3u n ASN 68 Ca 0.04 -0.25 -0.15 0.00 -0.03 0.00 0.00 54.58 54.19 2k3u n ASN 68 Cb 0.57 -4.75 -0.04 0.00 -0.61 0.00 0.00 39.78 34.95 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 -3.80 -1.69 -1.96 3.52 5.02 0.27 -4.88 118.16 114.64 2k3u n LYS 69 Ca -0.12 0.79 -0.25 0.00 -2.02 0.00 0.00 58.31 56.71 2k3u n LYS 69 Cb 0.62 -5.23 -0.07 0.00 -0.02 0.00 0.00 35.03 30.34 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 -2.14 -0.09 0.14 0.72 0.00 -1.19 -4.92 107.32 99.84 2k3u s GLY 70 Ca 0.00 -1.81 -0.30 0.00 0.00 0.00 0.00 44.72 42.61 2k3u s GLY 70 CO 0.00 3.69 1.05 -0.47 0.00 0.00 0.00 173.10 177.38 2k3u s TYR 71 N 11.95 3.66 0.00 1.90 6.14 -1.26 -1.38 117.35 138.37 2k3u s TYR 71 Ca 0.72 1.65 -0.05 0.00 0.64 0.00 0.00 57.07 60.04 2k3u s TYR 71 Cb -0.04 -3.20 -0.00 0.00 0.42 0.00 0.00 41.96 39.14 2k3u s TYR 71 CO 0.10 -0.35 0.09 0.71 0.64 0.00 0.00 175.55 176.74 2k3u s TYR 72 N -0.05 0.08 -0.02 4.97 1.51 -0.51 -4.98 117.35 118.35 2k3u s TYR 72 Ca 0.49 -0.20 0.02 0.00 -1.01 0.00 0.00 57.07 56.37 2k3u s TYR 72 Cb -0.27 -0.08 0.00 0.00 -0.11 0.00 0.00 41.96 41.51 2k3u s TYR 72 CO 0.33 -0.24 -0.06 -0.08 -1.11 0.00 0.00 175.55 174.39 2k3u s THR 73 N -1.27 0.50 -0.07 -0.71 -1.32 -1.26 -0.73 115.64 110.78 2k3u s THR 73 Ca -0.14 -0.22 -0.04 0.00 -1.21 0.00 0.00 61.69 60.09 2k3u s THR 73 Cb -0.08 -0.46 0.03 0.00 -1.51 0.00 0.00 72.50 70.48 2k3u s THR 73 CO 0.01 0.17 0.16 -0.69 -2.21 0.00 0.00 174.62 172.06 2k3u s VAL 74 N 0.20 -0.03 -0.37 5.08 1.01 -0.17 -5.01 120.40 121.12 2k3u s VAL 74 Ca -0.02 0.10 -0.17 0.00 0.00 0.00 0.00 61.98 61.89 2k3u s VAL 74 Cb -0.06 -0.25 0.00 0.00 0.00 0.00 0.00 36.38 36.07 2k3u s VAL 74 CO -0.00 0.04 0.47 -0.31 0.00 0.00 0.00 175.10 175.30 2k3u s TYR 75 N 0.75 3.18 -0.14 5.22 1.51 -1.26 -0.92 117.35 125.69 2k3u s TYR 75 Ca -0.05 0.01 0.28 0.00 -1.01 0.00 0.00 57.07 56.30 2k3u s TYR 75 Cb -0.07 -2.88 1.30 0.00 -0.11 0.00 0.00 41.96 40.19 2k3u s TYR 75 CO -0.04 -0.56 1.85 -0.07 -1.11 0.00 0.00 175.55 175.62 2k3u h LEU 76 N 9.04 0.00 -0.86 -1.29 3.38 -1.28 -3.19 115.31 121.10 2k3u h LEU 76 Ca -0.28 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.69 2k3u h LEU 76 Cb 1.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.87 2k3u h LEU 76 CO 0.76 0.00 0.00 -3.20 0.09 0.00 0.00 178.44 176.09 2k3u n ASN 77 N -2.55 0.43 -3.88 -0.43 5.15 -0.76 -4.82 115.26 108.41 2k3u n ASN 77 Ca 0.00 0.67 -0.09 0.00 -0.60 0.00 0.00 54.58 54.56 2k3u n ASN 77 Cb 0.19 -0.74 -0.08 0.00 -0.53 0.00 0.00 39.78 38.62 2k3u n ASN 77 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 2k3u s THR 78 N -3.34 0.14 0.77 -0.44 -4.23 -1.21 -5.16 115.64 102.17 2k3u s THR 78 Ca 0.00 -1.17 -0.15 0.00 -1.18 0.00 0.00 61.69 59.19 2k3u s THR 78 Cb 0.06 -1.25 0.00 0.00 1.34 0.00 0.00 72.50 72.65 2k3u s THR 78 CO 0.21 -0.65 0.75 -2.65 -0.54 0.00 0.00 174.62 171.74 2k3u n PRO 79 N 0.13 0.25 -1.69 3.99 -0.02 -1.26 -4.90 135.00 131.50 2k3u n PRO 79 Ca -0.16 0.14 -0.43 0.00 -2.02 0.00 0.00 63.50 61.03 2k3u n PRO 79 Cb 0.61 -2.04 -0.03 0.00 -0.02 0.00 0.00 33.50 32.02 2k3u n PRO 79 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 2k3u n LEU 80 N -1.32 3.99 -4.74 2.45 7.94 -1.26 -4.97 117.00 119.09 2k3u n LEU 80 Ca 0.11 0.98 -0.41 0.00 -1.11 0.00 0.00 56.01 55.58 2k3u n LEU 80 Cb 0.50 -1.53 -0.03 0.00 0.53 0.00 0.00 43.42 42.90 2k3u n LEU 80 CO 0.50 0.15 1.03 0.00 -1.11 0.00 0.00 177.39 177.96 2k3u s ALA 81 N 2.90 3.57 0.62 1.96 0.00 -1.26 -4.95 121.76 124.60 2k3u s ALA 81 Ca 0.83 1.17 0.34 0.00 0.00 0.00 0.00 51.96 54.31 2k3u s ALA 81 Cb -0.50 -3.51 1.99 0.00 0.00 0.00 0.00 23.12 21.10 2k3u s ALA 81 CO 0.39 -0.61 2.27 1.05 0.00 0.00 0.00 175.76 178.86 2k3u h GLU 82 N 5.54 0.00 -0.47 0.00 4.11 -1.99 -1.46 114.58 120.30 2k3u h GLU 82 Ca -0.45 0.00 -0.12 0.00 0.07 0.00 0.00 59.36 58.87 2k3u h GLU 82 Cb 1.21 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.45 2k3u h GLU 82 CO 0.79 0.00 -0.16 -0.44 0.07 0.00 0.00 179.01 179.27 2k3u h ASP 83 N 0.00 0.92 0.98 3.06 3.32 -1.99 -3.05 116.42 119.66 2k3u h ASP 83 Ca 0.01 -0.32 -0.05 0.00 0.02 0.00 0.00 57.03 56.69 2k3u h ASP 83 Cb 0.07 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.36 2k3u h ASP 83 CO -0.00 1.07 -0.25 0.03 -1.72 0.00 0.00 179.24 178.37 2k3u h ARG 84 N 0.81 0.00 0.00 3.56 3.08 -1.66 -1.44 114.38 118.73 2k3u h ARG 84 Ca 0.12 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.17 2k3u h ARG 84 Cb 0.71 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.76 2k3u h ARG 84 CO 0.05 0.25 0.00 1.63 -1.07 0.00 0.00 179.97 180.83 2k3u n LYS 85 N -3.38 0.03 0.00 0.04 5.02 -1.13 -0.55 118.16 118.19 2k3u n LYS 85 Ca 0.00 0.34 0.00 0.00 -2.02 0.00 0.00 58.31 56.63 2k3u n LYS 85 Cb 0.46 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.97 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 -1.43 0.21 -4.71 4.39 3.02 -0.67 -4.75 115.26 111.32 2k3u n ASN 86 Ca 0.02 -0.16 -0.42 0.00 -0.03 0.00 0.00 54.58 53.99 2k3u n ASN 86 Cb 0.07 0.36 -0.03 0.00 -0.61 0.00 0.00 39.78 39.57 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 -0.40 3.90 0.21 2.41 0.11 -0.63 -5.00 120.40 121.00 2k3u s VAL 87 Ca 0.00 1.35 -0.30 0.00 -2.93 0.00 0.00 61.98 60.10 2k3u s VAL 87 Cb 0.00 -3.86 -0.08 0.00 -1.53 0.00 0.00 36.38 30.90 2k3u s VAL 87 CO 0.00 0.08 1.12 -1.61 -3.33 0.00 0.00 175.10 171.36 2k3u s GLU 88 N 1.36 4.59 -0.46 1.54 2.02 -1.26 -3.28 118.70 123.21 2k3u s GLU 88 Ca 0.60 1.78 -0.28 0.00 0.02 0.00 0.00 54.97 57.09 2k3u s GLU 88 Cb -0.30 -3.24 -0.01 0.00 0.10 0.00 0.00 34.13 30.67 2k3u s GLU 88 CO 0.28 0.08 1.71 -0.51 0.02 0.00 0.00 175.26 176.84 2k3u s LEU 89 N -0.66 3.44 0.55 1.80 1.43 -0.46 -4.90 118.68 119.88 2k3u s LEU 89 Ca 0.49 0.81 0.25 0.00 -1.03 0.00 0.00 54.13 54.64 2k3u s LEU 89 Cb -0.31 -3.16 1.48 0.00 0.03 0.00 0.00 46.19 44.23 2k3u s LEU 89 CO 0.37 -1.87 2.07 -0.07 0.23 0.00 0.00 176.35 177.08 2k3u h LEU 90 N 14.20 0.00 -7.99 1.79 3.38 -1.91 -3.46 115.31 121.31 2k3u h LEU 90 Ca -0.29 0.00 0.26 0.00 0.09 0.00 0.00 57.88 57.93 2k3u h LEU 90 Cb 1.15 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.85 2k3u h LEU 90 CO 1.11 0.00 0.76 -0.83 0.09 0.00 0.00 178.44 179.58 2k3u s GLY 91 N -4.02 0.01 0.59 0.83 0.00 -1.23 -4.60 107.32 98.90 2k3u s GLY 91 Ca -0.05 -0.18 -0.17 0.00 0.00 0.00 0.00 44.72 44.32 2k3u s GLY 91 CO 0.64 4.41 1.11 1.25 0.00 0.00 0.00 173.10 180.51 2k3u s LYS 92 N -2.04 3.14 -1.03 2.90 2.47 -1.26 -4.46 119.74 119.45 2k3u s LYS 92 Ca 0.27 1.47 -0.07 0.00 -1.56 0.00 0.00 55.97 56.07 2k3u s LYS 92 Cb -0.02 -1.99 -0.06 0.00 -1.46 0.00 0.00 37.83 34.30 2k3u s LYS 92 CO 0.02 -0.99 2.23 -0.12 0.16 0.00 0.00 175.35 176.65 2k3u n MET 93 N -1.82 2.31 -0.20 4.03 0.00 -0.54 -1.27 117.12 119.63 2k3u n MET 93 Ca 0.11 -1.61 0.00 0.00 0.00 0.00 0.00 57.70 56.19 2k3u n MET 93 Cb 0.52 -2.55 0.11 0.00 0.00 0.00 0.00 33.22 31.30 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 6.20 0.36 -2.85 1.12 3.20 -1.41 -3.09 116.97 120.50 2k3u h TYR 94 Ca 0.55 0.03 -0.11 0.00 3.14 0.00 0.00 58.73 62.34 2k3u h TYR 94 Cb 0.22 -0.07 -0.20 0.00 1.54 0.00 0.00 36.73 38.22 2k3u h TYR 94 CO 1.90 0.07 -0.20 0.21 -1.64 0.00 0.00 178.16 178.50 2k3u s LYS 95 N -6.09 0.72 0.03 1.82 2.47 -0.91 -2.00 119.74 115.77 2k3u s LYS 95 Ca -0.13 -0.06 0.01 0.00 -1.56 0.00 0.00 55.97 54.23 2k3u s LYS 95 Cb 0.17 0.32 -0.02 0.00 -1.46 0.00 0.00 37.83 36.84 2k3u s LYS 95 CO 0.74 -0.20 -0.05 0.99 0.16 0.00 0.00 175.35 176.99 2k3u s THR 96 N -1.19 0.31 0.07 3.43 2.01 -0.65 -1.04 115.64 118.58 2k3u s THR 96 Ca -0.12 -1.06 0.04 0.00 0.31 0.00 0.00 61.69 60.85 2k3u s THR 96 Cb -0.04 -0.52 -0.03 0.00 0.01 0.00 0.00 72.50 71.92 2k3u s THR 96 CO 0.05 -0.49 -0.11 -0.31 -0.69 0.00 0.00 174.62 173.06 2k3u s TYR 97 N -1.64 1.01 -0.02 4.92 1.51 0.23 -0.85 117.35 122.51 2k3u s TYR 97 Ca -0.11 -0.52 -0.04 0.00 -1.01 0.00 0.00 57.07 55.39 2k3u s TYR 97 Cb -0.08 -0.57 0.01 0.00 -0.11 0.00 0.00 41.96 41.20 2k3u s TYR 97 CO -0.01 0.00 0.10 -0.06 -1.11 0.00 0.00 175.55 174.47 2k3u s PHE 98 N -1.58 -0.04 -0.05 2.71 0.40 0.82 -0.59 117.98 119.65 2k3u s PHE 98 Ca -0.03 0.10 0.04 0.00 -0.60 0.00 0.00 56.93 56.44 2k3u s PHE 98 Cb -0.08 -0.01 -0.00 0.00 0.51 0.00 0.00 43.02 43.44 2k3u s PHE 98 CO 0.01 -0.13 -0.16 -0.06 0.70 0.00 0.00 175.22 175.59 2k3u s PHE 99 N -0.45 1.62 0.84 0.36 0.40 -0.23 -1.82 117.98 118.70 2k3u s PHE 99 Ca -0.05 -0.49 -0.11 0.00 -0.60 0.00 0.00 56.93 55.68 2k3u s PHE 99 Cb -0.03 -1.11 0.10 0.00 0.51 0.00 0.00 43.02 42.48 2k3u s PHE 99 CO 0.00 -0.18 1.09 0.15 0.70 0.00 0.00 175.22 176.98 2k3u s LYS 100 N 0.15 1.71 -0.17 0.44 1.02 -1.26 -0.81 119.74 120.83 2k3u s LYS 100 Ca -0.06 0.91 -0.03 0.00 0.02 0.00 0.00 55.97 56.82 2k3u s LYS 100 Cb -0.12 -1.85 -0.10 0.00 -0.52 0.00 0.00 37.83 35.23 2k3u s LYS 100 CO 0.02 -1.95 1.91 0.36 -0.92 0.00 0.00 175.35 174.77 2k3u n LYS 101 N -3.70 1.08 0.00 1.68 2.85 0.43 -2.51 118.16 117.98 2k3u n LYS 101 Ca 0.08 -0.64 0.00 0.00 -1.05 0.00 0.00 58.31 56.70 2k3u n LYS 101 Cb 0.55 -1.87 0.00 0.00 -0.65 0.00 0.00 35.03 33.06 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 3.01 0.00 3.31 2.58 0.00 -1.26 -5.08 105.19 107.75 2k3u n GLY 102 Ca 0.23 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.11 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 0.77 -0.00 1.61 2.12 -1.05 -5.04 118.70 117.11 2k3u s GLU 103 Ca 0.00 -0.08 0.00 0.00 0.36 0.00 0.00 54.97 55.25 2k3u s GLU 103 Cb 0.00 0.35 0.00 0.00 0.26 0.00 0.00 34.13 34.74 2k3u s GLU 103 CO 0.00 -0.22 0.65 0.43 -0.54 0.00 0.00 175.26 175.58 2k3u n SER 104 N 1.19 0.05 -3.66 -1.70 7.64 -1.26 -4.78 113.62 111.09 2k3u n SER 104 Ca -0.21 -1.31 -0.22 0.00 1.01 0.00 0.00 58.87 58.13 2k3u n SER 104 Cb 0.56 -0.06 -0.18 0.00 -1.01 0.00 0.00 64.21 63.53 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 -0.04 0.04 -0.09 1.43 2.20 -1.26 -5.12 119.74 116.91 2k3u s LYS 105 Ca 0.00 0.19 -0.29 0.00 -0.36 0.00 0.00 55.97 55.50 2k3u s LYS 105 Cb 0.00 -1.02 -0.05 0.00 -1.51 0.00 0.00 37.83 35.25 2k3u s LYS 105 CO 0.00 -0.45 1.69 -1.54 -0.36 0.00 0.00 175.35 174.69 2k3u s SER 106 N 2.14 6.55 0.35 1.43 1.04 -1.26 -4.91 113.70 119.03 2k3u s SER 106 Ca 0.04 2.13 0.19 0.00 0.48 0.00 0.00 55.95 58.79 2k3u s SER 106 Cb -0.13 -2.53 0.33 0.00 0.10 0.00 0.00 66.02 63.79 2k3u s SER 106 CO -0.05 -1.04 1.57 -1.28 0.98 0.00 0.00 173.24 173.42 2k3u h SER 107 N 10.06 0.00 -4.28 7.02 0.87 -1.76 -3.45 113.55 122.02 2k3u h SER 107 Ca -0.39 0.00 -0.58 0.00 -1.23 0.00 0.00 61.79 59.59 2k3u h SER 107 Cb 1.18 0.00 -0.26 0.00 -0.44 0.00 0.00 62.40 62.88 2k3u h SER 107 CO 0.96 0.34 -0.84 -0.47 -0.53 0.00 0.00 176.83 176.29 2k3u s TYR 108 N -3.18 1.83 0.06 2.24 5.04 -1.12 -5.02 117.35 117.20 2k3u s TYR 108 Ca 0.04 -0.38 -0.17 0.00 -2.44 0.00 0.00 57.07 54.12 2k3u s TYR 108 Cb 0.08 -1.09 0.03 0.00 0.35 0.00 0.00 41.96 41.33 2k3u s TYR 108 CO 0.70 0.10 0.38 0.14 -1.34 0.00 0.00 175.55 175.54 2k3u s VAL 109 N -0.82 0.07 -0.03 3.14 -7.23 -1.26 -0.13 120.40 114.13 2k3u s VAL 109 Ca 0.08 -0.54 -0.07 0.00 -1.81 0.00 0.00 61.98 59.63 2k3u s VAL 109 Cb -0.09 -0.99 0.01 0.00 0.56 0.00 0.00 36.38 35.87 2k3u s VAL 109 CO 0.02 -0.30 0.17 -0.63 -0.31 0.00 0.00 175.10 174.05 2k3u s ILE 110 N -2.70 0.05 -0.01 -0.62 1.01 -0.03 -4.99 121.20 113.91 2k3u s ILE 110 Ca -0.04 -0.40 0.01 0.00 0.00 0.00 0.00 60.65 60.23 2k3u s ILE 110 Cb -0.00 -0.38 -0.04 0.00 0.01 0.00 0.00 42.46 42.05 2k3u s ILE 110 CO -0.04 -0.22 0.00 0.20 0.00 0.00 0.00 174.94 174.89 2k3u s ASN 111 N -0.78 5.15 0.30 3.58 -0.87 -1.26 -1.64 114.94 119.43 2k3u s ASN 111 Ca -0.09 0.01 -0.07 0.00 -1.57 0.00 0.00 52.86 51.14 2k3u s ASN 111 Cb -0.05 -1.36 0.03 0.00 -0.02 0.00 0.00 41.25 39.85 2k3u s ASN 111 CO 0.01 0.29 0.52 0.61 -2.57 0.00 0.00 177.10 175.96 2k3u n GLY 112 N 1.44 1.68 3.76 0.66 0.00 -0.85 -4.97 105.19 106.91 2k3u n GLY 112 Ca -0.15 -1.36 -0.41 0.00 0.00 0.00 0.00 46.02 44.11 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 -2.31 4.48 0.00 1.61 0.04 -1.23 -4.18 135.00 133.42 2k3u s PRO 113 Ca 0.17 2.00 0.00 0.00 0.04 0.00 0.00 61.00 63.20 2k3u s PRO 113 Cb -0.03 -3.15 0.00 0.00 0.04 0.00 0.00 34.50 31.36 2k3u s PRO 113 CO 0.12 -0.03 0.00 0.41 0.04 0.00 0.00 177.00 177.54 2k3u n GLY 114 N 1.36 0.00 4.61 0.56 0.00 -1.26 -1.47 105.19 108.99 2k3u n GLY 114 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 2k3u n GLY 114 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2k3u n LYS 115 N 0.00 0.00 -3.56 1.61 5.02 -1.26 -4.74 118.16 115.23 2k3u n LYS 115 Ca 0.00 0.00 -0.10 0.00 -2.02 0.00 0.00 58.31 56.19 2k3u n LYS 115 Cb 0.00 -2.64 -0.04 0.00 -0.02 0.00 0.00 35.03 32.32 2k3u n LYS 115 CO 0.00 0.00 0.00 -0.08 -0.52 0.00 0.00 177.40 176.80 2k3u s THR 116 N 0.00 0.00 -0.27 -0.18 -1.32 -1.26 -5.03 115.64 107.58 2k3u s THR 116 Ca 0.00 0.00 0.19 0.00 -1.21 0.00 0.00 61.69 60.67 2k3u s THR 116 Cb 0.00 -1.00 0.13 0.00 -1.51 0.00 0.00 72.50 70.12 2k3u s THR 116 CO 0.00 0.00 1.37 0.78 -2.21 0.00 0.00 174.62 174.56 2k3u h ASN 117 N 2.39 0.00 -2.25 8.08 4.21 -1.85 -3.34 115.58 122.81 2k3u h ASN 117 Ca -0.18 0.00 -0.57 0.00 1.21 0.00 0.00 56.30 56.76 2k3u h ASN 117 Cb 1.18 0.00 -0.10 0.00 -1.12 0.00 0.00 38.32 38.29 2k3u h ASN 117 CO 0.30 0.25 1.03 -1.61 -1.29 0.00 0.00 177.43 176.11 2k3u s GLU 118 N -3.11 3.24 -1.51 0.81 2.02 -1.26 -0.57 118.70 118.32 2k3u s GLU 118 Ca 0.04 -0.49 0.00 0.00 0.02 0.00 0.00 54.97 54.54 2k3u s GLU 118 Cb 0.07 -4.35 0.00 0.00 0.10 0.00 0.00 34.13 29.95 2k3u s GLU 118 CO 0.73 -2.09 0.00 0.98 0.02 0.00 0.00 175.26 174.90 2k3u n TYR 119 N 8.98 -0.78 -3.22 1.61 9.36 -1.26 -2.07 117.16 129.78 2k3u n TYR 119 Ca 0.06 0.00 -0.19 0.00 3.32 0.00 0.00 57.90 61.09 2k3u n TYR 119 Cb 0.49 -3.08 -0.02 0.00 -0.63 0.00 0.00 39.34 36.10 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 -0.76 -1.03 0.26 2.98 0.00 -1.26 -4.86 120.51 115.83 2k3u n ALA 120 Ca -0.17 0.02 0.03 0.00 0.00 0.00 0.00 53.44 53.31 2k3u n ALA 120 Cb 0.59 -1.99 0.03 0.00 0.00 0.00 0.00 19.45 18.07 2k3u n ALA 120 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48