#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 -0.69 6.41 2.88 -1.26 -5.18 113.62 115.78 2k3u n SER 32 Ca 0.00 0.00 0.07 0.00 -1.33 0.00 0.00 58.87 57.61 2k3u n SER 32 Cb 0.00 0.23 -0.02 0.00 -0.75 0.00 0.00 64.21 63.67 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 -0.89 -1.87 2.99 0.46 0.00 -1.26 -5.00 105.19 99.62 2k3u n GLY 33 Ca 0.00 -1.29 -0.12 0.00 0.00 0.00 0.00 46.02 44.61 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 2.17 1.12 0.99 1.02 -1.26 -5.16 118.68 117.56 2k3u s LEU 34 Ca 0.00 -0.38 -0.12 0.00 0.02 0.00 0.00 54.13 53.65 2k3u s LEU 34 Cb 0.00 -0.09 0.26 0.00 0.02 0.00 0.00 46.19 46.38 2k3u s LEU 34 CO 0.00 -0.15 1.05 -2.84 0.02 0.00 0.00 176.35 174.43 2k3u s PRO 35 N -1.06 -0.56 0.00 1.29 0.02 -1.26 -5.01 135.00 128.41 2k3u s PRO 35 Ca -0.08 1.05 0.00 0.00 0.02 0.00 0.00 61.00 61.99 2k3u s PRO 35 Cb -0.07 -1.58 0.00 0.00 0.02 0.00 0.00 34.50 32.87 2k3u s PRO 35 CO -0.00 -3.55 0.05 -2.37 -0.33 0.00 0.00 177.00 170.80 2k3u n THR 36 N -4.82 0.00 -4.02 0.99 5.66 -1.26 -4.86 114.28 105.97 2k3u n THR 36 Ca 0.05 0.00 -0.17 0.00 -3.05 0.00 0.00 64.05 60.88 2k3u n THR 36 Cb 0.53 1.49 -0.16 0.00 -1.55 0.00 0.00 70.33 70.65 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 0.28 0.43 1.09 -4.23 -1.26 -0.93 115.64 111.03 2k3u s THR 37 Ca 0.00 -0.02 0.10 0.00 -1.18 0.00 0.00 61.69 60.59 2k3u s THR 37 Cb 0.00 -0.33 0.28 0.00 1.34 0.00 0.00 72.50 73.79 2k3u s THR 37 CO 0.00 0.15 2.06 0.25 -0.54 0.00 0.00 174.62 176.53 2k3u h LEU 38 N 6.92 0.37 -0.70 4.79 6.46 -1.51 -2.49 115.31 129.15 2k3u h LEU 38 Ca -0.38 -0.01 0.09 0.00 -0.12 0.00 0.00 57.88 57.46 2k3u h LEU 38 Cb 1.15 -0.09 -0.07 0.00 -0.73 0.00 0.00 40.66 40.92 2k3u h LEU 38 CO 0.48 0.26 0.35 1.23 -0.62 0.00 0.00 178.44 180.14 2k3u h GLY 39 N 0.43 1.05 1.32 3.75 0.00 -1.40 0.11 103.07 108.33 2k3u h GLY 39 Ca 0.15 -0.22 -0.09 0.00 0.00 0.00 0.00 47.33 47.18 2k3u h GLY 39 CO -0.04 0.06 -0.05 0.50 0.00 0.00 0.00 176.54 177.01 2k3u h LYS 40 N 0.60 0.82 -0.34 4.80 1.79 -1.66 -2.36 116.57 120.20 2k3u h LYS 40 Ca 0.35 -0.25 -0.06 0.00 -2.18 0.00 0.00 60.65 58.50 2k3u h LYS 40 Cb 0.36 -0.08 -0.01 0.00 -1.58 0.00 0.00 32.23 30.92 2k3u h LYS 40 CO -0.27 0.85 -0.03 1.25 -1.08 0.00 0.00 179.45 180.17 2k3u h LEU 41 N 0.75 0.62 -0.74 2.94 5.85 -1.25 -2.42 115.31 121.06 2k3u h LEU 41 Ca 0.14 -0.33 0.08 0.00 0.84 0.00 0.00 57.88 58.61 2k3u h LEU 41 Cb 0.53 -0.17 -0.07 0.00 0.37 0.00 0.00 40.66 41.32 2k3u h LEU 41 CO 0.03 0.81 0.40 -0.78 -0.34 0.00 0.00 178.44 178.56 2k3u h ASP 42 N 0.43 0.56 0.60 1.25 3.58 -0.74 0.23 116.42 122.33 2k3u h ASP 42 Ca 0.09 0.05 -0.02 0.00 0.42 0.00 0.00 57.03 57.57 2k3u h ASP 42 Cb 0.51 -0.06 -0.00 0.00 1.72 0.00 0.00 39.33 41.50 2k3u h ASP 42 CO 0.02 0.33 -0.10 -0.08 -2.88 0.00 0.00 179.24 176.54 2k3u h GLU 43 N 0.69 0.00 0.04 0.28 4.81 -1.33 -0.70 114.58 118.37 2k3u h GLU 43 Ca 0.35 0.00 -0.18 0.00 -0.13 0.00 0.00 59.36 59.40 2k3u h GLU 43 Cb 0.31 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.68 2k3u h GLU 43 CO -0.24 0.10 -0.97 0.00 -0.73 0.00 0.00 179.01 177.17 2k3u h ARG 44 N 0.00 0.07 -0.32 1.92 3.08 -0.84 -3.36 114.38 114.93 2k3u h ARG 44 Ca -0.00 -0.13 -0.05 0.00 0.07 0.00 0.00 59.98 59.87 2k3u h ARG 44 Cb 0.42 0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.50 2k3u h ARG 44 CO 0.01 1.06 -0.02 -0.07 -1.07 0.00 0.00 179.97 179.88 2k3u h LEU 45 N -0.79 0.48 -1.24 3.04 3.38 -0.23 0.19 115.31 120.14 2k3u h LEU 45 Ca -0.24 -0.09 -0.05 0.00 0.09 0.00 0.00 57.88 57.58 2k3u h LEU 45 Cb 1.36 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.97 2k3u h LEU 45 CO -0.07 0.56 -0.03 0.03 0.09 0.00 0.00 178.44 179.02 2k3u h ARG 46 N 0.48 0.48 -0.27 1.13 3.08 -1.37 -0.86 114.38 117.05 2k3u h ARG 46 Ca 0.10 -0.11 -0.18 0.00 0.07 0.00 0.00 59.98 59.86 2k3u h ARG 46 Cb 0.35 -0.07 -0.00 0.00 0.08 0.00 0.00 29.97 30.33 2k3u h ARG 46 CO 0.01 0.54 -0.55 -0.91 -1.07 0.00 0.00 179.97 177.98 2k3u h ASN 47 N 0.46 0.93 0.03 7.04 2.35 -1.21 -2.51 115.58 122.68 2k3u h ASN 47 Ca 0.10 -0.50 -0.00 0.00 -0.55 0.00 0.00 56.30 55.34 2k3u h ASN 47 Cb 0.35 -0.27 -0.00 0.00 0.05 0.00 0.00 38.32 38.45 2k3u h ASN 47 CO 0.01 1.29 -0.01 1.88 -1.65 0.00 0.00 177.43 178.95 2k3u h TYR 48 N 0.64 0.00 0.06 1.19 0.05 -0.24 0.87 116.97 119.54 2k3u h TYR 48 Ca 0.01 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 58.79 2k3u h TYR 48 Cb 1.16 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.90 2k3u h TYR 48 CO 0.07 0.01 -0.03 -0.07 -1.05 0.00 0.00 178.16 177.09 2k3u h LEU 49 N 0.00 -0.07 -0.43 3.88 3.38 -1.08 -2.91 115.31 118.09 2k3u h LEU 49 Ca -0.00 -0.50 -0.13 0.00 0.09 0.00 0.00 57.88 57.33 2k3u h LEU 49 Cb 0.03 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 2k3u h LEU 49 CO 0.00 0.50 -0.25 0.11 0.09 0.00 0.00 178.44 178.89 2k3u h LYS 50 N -0.67 0.92 0.00 1.13 1.57 -0.92 0.43 116.57 119.03 2k3u h LYS 50 Ca -0.01 -0.42 0.00 0.00 -1.87 0.00 0.00 60.65 58.35 2k3u h LYS 50 Cb 0.57 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.86 2k3u h LYS 50 CO 0.01 1.08 0.00 1.17 -0.57 0.00 0.00 179.45 181.14 2k3u n LYS 51 N -4.15 0.03 0.00 3.15 4.81 0.23 -4.32 118.16 117.91 2k3u n LYS 51 Ca -0.01 0.13 0.00 0.00 -0.87 0.00 0.00 58.31 57.55 2k3u n LYS 51 Cb 0.47 -1.54 0.00 0.00 0.02 0.00 0.00 35.03 33.98 2k3u n LYS 51 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2k3u n GLY 52 N 0.88 0.24 3.66 3.14 0.00 -0.99 -5.03 105.19 107.09 2k3u n GLY 52 Ca 0.05 0.00 -0.23 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 -1.22 3.54 0.28 2.61 -4.23 0.10 -5.02 115.64 111.71 2k3u s THR 53 Ca 0.00 -1.87 0.03 0.00 -1.18 0.00 0.00 61.69 58.68 2k3u s THR 53 Cb 0.00 -2.89 0.06 0.00 1.34 0.00 0.00 72.50 71.01 2k3u s THR 53 CO 0.00 -0.37 1.71 0.11 -0.54 0.00 0.00 174.62 175.53 2k3u h LYS 54 N 1.86 0.43 -0.83 3.99 1.57 -1.92 -3.43 116.57 118.25 2k3u h LYS 54 Ca -0.45 -0.17 0.05 0.00 -1.87 0.00 0.00 60.65 58.21 2k3u h LYS 54 Cb 1.25 -0.02 -0.20 0.00 0.08 0.00 0.00 32.23 33.34 2k3u h LYS 54 CO 0.60 0.68 -0.32 1.21 -0.57 0.00 0.00 179.45 181.06 2k3u s ASN 55 N -6.83 -1.34 0.61 0.86 2.47 -1.26 -5.05 114.94 104.40 2k3u s ASN 55 Ca -0.06 -0.06 0.34 0.00 0.42 0.00 0.00 52.86 53.49 2k3u s ASN 55 Cb 0.14 1.81 1.97 0.00 -1.45 0.00 0.00 41.25 43.71 2k3u s ASN 55 CO 0.79 -0.22 2.27 -1.28 -3.72 0.00 0.00 177.10 174.94 2k3u h SER 56 N 7.52 0.00 0.08 -4.21 0.87 -1.83 -3.30 113.55 112.67 2k3u h SER 56 Ca -0.01 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.55 2k3u h SER 56 Cb 1.19 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.15 2k3u h SER 56 CO 0.09 0.00 0.00 0.00 -0.53 0.00 0.00 176.83 176.39 2k3u n ALA 57 N -2.25 1.38 1.14 6.23 0.00 -1.26 -1.47 120.51 124.28 2k3u n ALA 57 Ca -0.03 -0.02 0.12 0.00 0.00 0.00 0.00 53.44 53.52 2k3u n ALA 57 Cb 0.10 -1.06 0.26 0.00 0.00 0.00 0.00 19.45 18.74 2k3u n ALA 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2k3u n GLN 58 N -1.29 0.71 -3.07 0.00 10.64 -1.24 -4.98 117.38 118.15 2k3u n GLN 58 Ca 0.02 -0.47 -0.30 0.00 -1.83 0.00 0.00 57.00 54.41 2k3u n GLN 58 Cb 0.03 -1.49 -0.04 0.00 -0.86 0.00 0.00 30.24 27.88 2k3u n GLN 58 CO 0.00 0.00 0.00 -0.06 -1.83 0.00 0.00 177.06 175.17 2k3u s PHE 59 N -2.61 3.45 0.00 2.61 0.08 -0.54 -0.39 117.98 120.58 2k3u s PHE 59 Ca 0.20 0.96 0.00 0.00 0.12 0.00 0.00 56.93 58.21 2k3u s PHE 59 Cb 0.19 -2.36 0.00 0.00 -0.57 0.00 0.00 43.02 40.28 2k3u s PHE 59 CO 0.58 0.03 0.00 -1.91 -0.10 0.00 0.00 175.22 173.82 2k3u n GLU 60 N -0.93 0.00 -4.08 0.44 2.13 -0.19 -4.61 120.64 113.40 2k3u n GLU 60 Ca 0.01 0.00 -0.11 0.00 0.66 0.00 0.00 57.16 57.72 2k3u n GLU 60 Cb 0.54 -0.59 -0.07 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 -1.30 1.51 0.10 5.31 -2.85 -1.13 -1.02 119.74 120.34 2k3u s LYS 61 Ca 0.00 -1.48 0.02 0.00 -1.00 0.00 0.00 55.97 53.51 2k3u s LYS 61 Cb 0.00 0.40 -0.04 0.00 -2.06 0.00 0.00 37.83 36.13 2k3u s LYS 61 CO 0.00 -0.59 -0.07 0.00 0.10 0.00 0.00 175.35 174.79 2k3u s MET 62 N -3.88 0.84 -0.01 1.78 0.23 -0.36 -1.29 119.30 116.61 2k3u s MET 62 Ca 0.30 -1.32 0.00 0.00 -1.03 0.00 0.00 55.69 53.63 2k3u s MET 62 Cb 0.02 -0.23 0.01 0.00 -1.53 0.00 0.00 34.83 33.11 2k3u s MET 62 CO 0.12 -0.01 0.00 0.08 -2.03 0.00 0.00 175.02 173.18 2k3u s VAL 63 N -3.55 0.08 -0.05 5.16 1.01 0.12 -1.92 120.40 121.24 2k3u s VAL 63 Ca 0.11 0.05 0.03 0.00 0.00 0.00 0.00 61.98 62.17 2k3u s VAL 63 Cb 0.05 -0.13 0.00 0.00 0.00 0.00 0.00 36.38 36.30 2k3u s VAL 63 CO -0.04 0.07 -0.14 -0.63 0.00 0.00 0.00 175.10 174.36 2k3u s ILE 64 N 0.50 1.23 -0.25 2.22 1.01 0.42 -0.40 121.20 125.93 2k3u s ILE 64 Ca -0.04 -0.57 0.01 0.00 0.00 0.00 0.00 60.65 60.04 2k3u s ILE 64 Cb -0.07 -1.08 0.04 0.00 0.01 0.00 0.00 42.46 41.36 2k3u s ILE 64 CO -0.01 0.37 -0.09 -0.76 0.00 0.00 0.00 174.94 174.44 2k3u s LEU 65 N 0.32 3.23 0.47 2.97 1.43 -0.08 -1.58 118.68 125.43 2k3u s LEU 65 Ca -0.08 -1.10 0.07 0.00 -1.03 0.00 0.00 54.13 51.98 2k3u s LEU 65 Cb -0.13 -1.60 0.03 0.00 0.03 0.00 0.00 46.19 44.52 2k3u s LEU 65 CO 0.03 -0.15 0.64 0.42 0.23 0.00 0.00 176.35 177.52 2k3u s THR 66 N 1.22 2.82 1.07 5.49 -4.23 -0.86 -1.74 115.64 119.41 2k3u s THR 66 Ca -0.03 -0.93 -0.12 0.00 -1.18 0.00 0.00 61.69 59.42 2k3u s THR 66 Cb -0.18 -2.88 0.20 0.00 1.34 0.00 0.00 72.50 70.98 2k3u s THR 66 CO -0.06 0.00 0.90 -0.62 -0.54 0.00 0.00 174.62 174.31 2k3u n GLU 67 N -2.00 -1.53 -3.86 3.99 1.02 -0.62 -3.77 120.64 113.87 2k3u n GLU 67 Ca 0.09 -0.41 -0.29 0.00 -0.02 0.00 0.00 57.16 56.53 2k3u n GLU 67 Cb 0.59 -2.16 0.03 0.00 -0.02 0.00 0.00 31.44 29.88 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 -4.07 -5.05 -2.05 1.62 3.02 -0.59 -3.26 115.26 104.88 2k3u n ASN 68 Ca 0.06 -0.74 -0.18 0.00 -0.03 0.00 0.00 54.58 53.70 2k3u n ASN 68 Cb 0.54 -4.02 -0.04 0.00 -0.61 0.00 0.00 39.78 35.65 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 -4.71 -1.68 -2.22 3.52 5.02 0.42 -4.84 118.16 113.66 2k3u n LYS 69 Ca 0.04 0.93 -0.39 0.00 -2.02 0.00 0.00 58.31 56.88 2k3u n LYS 69 Cb 0.53 -5.45 -0.01 0.00 -0.02 0.00 0.00 35.03 30.08 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 -2.23 2.88 -0.02 0.72 0.00 -1.22 -4.95 107.32 102.51 2k3u s GLY 70 Ca 0.00 1.04 0.00 0.00 0.00 0.00 0.00 44.72 45.76 2k3u s GLY 70 CO 0.00 1.58 0.01 -0.47 0.00 0.00 0.00 173.10 174.21 2k3u s TYR 71 N -1.37 0.17 -0.04 1.90 6.14 -1.26 -2.03 117.35 120.86 2k3u s TYR 71 Ca 0.57 0.04 -0.08 0.00 0.64 0.00 0.00 57.07 58.24 2k3u s TYR 71 Cb -0.33 -0.27 0.01 0.00 0.42 0.00 0.00 41.96 41.80 2k3u s TYR 71 CO 0.41 -0.08 0.18 0.71 0.64 0.00 0.00 175.55 177.41 2k3u s TYR 72 N 0.77 -0.12 0.01 4.97 1.51 -0.62 -4.99 117.35 118.88 2k3u s TYR 72 Ca -0.07 0.26 0.02 0.00 -1.01 0.00 0.00 57.07 56.27 2k3u s TYR 72 Cb -0.10 0.03 -0.01 0.00 -0.11 0.00 0.00 41.96 41.77 2k3u s TYR 72 CO -0.02 -0.19 -0.07 -0.08 -1.11 0.00 0.00 175.55 174.08 2k3u s THR 73 N -0.55 0.56 -0.09 -0.71 -1.32 -1.26 -0.43 115.64 111.84 2k3u s THR 73 Ca -0.06 -0.58 -0.04 0.00 -1.21 0.00 0.00 61.69 59.80 2k3u s THR 73 Cb -0.04 -0.53 0.04 0.00 -1.51 0.00 0.00 72.50 70.47 2k3u s THR 73 CO 0.01 -0.03 0.19 -0.69 -2.21 0.00 0.00 174.62 171.89 2k3u s VAL 74 N -0.59 -0.07 -0.88 5.08 1.01 -0.81 -5.02 120.40 119.12 2k3u s VAL 74 Ca -0.01 0.18 -0.21 0.00 0.00 0.00 0.00 61.98 61.94 2k3u s VAL 74 Cb -0.05 -0.31 0.09 0.00 0.00 0.00 0.00 36.38 36.11 2k3u s VAL 74 CO 0.00 0.08 1.18 -0.31 0.00 0.00 0.00 175.10 176.04 2k3u s TYR 75 N 1.33 2.84 -0.34 5.22 2.02 -1.26 -1.22 117.35 125.93 2k3u s TYR 75 Ca -0.08 -1.01 0.13 0.00 -0.37 0.00 0.00 57.07 55.74 2k3u s TYR 75 Cb -0.11 -4.40 0.70 0.00 -0.40 0.00 0.00 41.96 37.74 2k3u s TYR 75 CO -0.07 -1.66 1.34 1.28 -1.57 0.00 0.00 175.55 174.87 2k3u n LEU 76 N 7.51 0.33 0.21 -1.29 4.77 -0.19 -0.84 117.00 127.49 2k3u n LEU 76 Ca 0.19 0.61 0.14 0.00 -0.03 0.00 0.00 56.01 56.91 2k3u n LEU 76 Cb 0.49 -0.62 0.73 0.00 -2.33 0.00 0.00 43.42 41.69 2k3u n LEU 76 CO 0.58 -0.72 0.92 0.78 -1.33 0.00 0.00 177.39 177.62 2k3u h ASN 77 N 0.00 0.00 -4.83 -1.43 4.21 -1.57 -3.46 115.58 108.51 2k3u h ASN 77 Ca 0.00 0.00 -0.14 0.00 1.21 0.00 0.00 56.30 57.37 2k3u h ASN 77 Cb 0.20 0.00 -0.21 0.00 -1.12 0.00 0.00 38.32 37.19 2k3u h ASN 77 CO 0.00 0.00 -0.44 0.42 -1.29 0.00 0.00 177.43 176.12 2k3u s THR 78 N -3.69 0.07 -0.07 2.81 -4.23 -0.02 -5.14 115.64 105.37 2k3u s THR 78 Ca -0.03 -0.55 -0.30 0.00 -1.18 0.00 0.00 61.69 59.63 2k3u s THR 78 Cb 0.08 -0.46 -0.04 0.00 1.34 0.00 0.00 72.50 73.42 2k3u s THR 78 CO 0.24 -0.30 1.41 -2.16 -0.54 0.00 0.00 174.62 173.28 2k3u s PRO 79 N -1.18 4.24 0.29 3.99 0.04 -1.26 -4.81 135.00 136.32 2k3u s PRO 79 Ca -0.13 1.92 -0.29 0.00 0.04 0.00 0.00 61.00 62.54 2k3u s PRO 79 Cb -0.06 -3.74 -0.11 0.00 0.04 0.00 0.00 34.50 30.63 2k3u s PRO 79 CO 0.02 -0.68 1.46 -0.48 0.04 0.00 0.00 177.00 177.36 2k3u s LEU 80 N 3.15 4.37 0.86 -3.56 2.34 -1.26 -4.97 118.68 119.61 2k3u s LEU 80 Ca 0.63 2.79 -0.11 0.00 0.06 0.00 0.00 54.13 57.50 2k3u s LEU 80 Cb -0.29 -3.64 0.11 0.00 -0.56 0.00 0.00 46.19 41.82 2k3u s LEU 80 CO 0.23 -0.75 1.15 0.00 -1.06 0.00 0.00 176.35 175.93 2k3u s ALA 81 N -0.35 1.72 0.43 1.48 0.00 -1.26 -4.60 121.76 119.18 2k3u s ALA 81 Ca 0.58 0.61 0.10 0.00 0.00 0.00 0.00 51.96 53.24 2k3u s ALA 81 Cb -0.44 -3.43 0.97 0.00 0.00 0.00 0.00 23.12 20.22 2k3u s ALA 81 CO 0.49 -2.45 2.06 0.93 0.00 0.00 0.00 175.76 176.79 2k3u h GLU 82 N -1.45 0.42 -0.08 0.00 4.39 -1.98 0.56 114.58 116.43 2k3u h GLU 82 Ca -0.44 -0.03 -0.15 0.00 0.34 0.00 0.00 59.36 59.09 2k3u h GLU 82 Cb 1.27 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 29.81 2k3u h GLU 82 CO 0.45 0.28 -0.60 -0.44 -1.16 0.00 0.00 179.01 177.53 2k3u h ASP 83 N 0.43 0.31 0.87 1.42 3.32 -1.95 -2.79 116.42 118.03 2k3u h ASP 83 Ca 0.16 -0.18 -0.13 0.00 0.02 0.00 0.00 57.03 56.90 2k3u h ASP 83 Cb 0.09 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 39.53 2k3u h ASP 83 CO -0.04 0.84 -0.61 0.03 -1.72 0.00 0.00 179.24 177.75 2k3u h ARG 84 N 0.21 0.00 0.00 3.56 3.08 -1.50 -2.06 114.38 117.67 2k3u h ARG 84 Ca -0.01 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 2k3u h ARG 84 Cb 1.11 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.16 2k3u h ARG 84 CO 0.10 0.61 -0.04 0.87 -1.07 0.00 0.00 179.97 180.44 2k3u h LYS 85 N 0.00 0.00 -0.06 0.04 1.57 -0.77 -3.20 116.57 114.15 2k3u h LYS 85 Ca -0.01 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.77 2k3u h LYS 85 Cb 1.21 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.51 2k3u h LYS 85 CO 0.08 0.04 -0.01 0.09 -0.57 0.00 0.00 179.45 179.07 2k3u n ASN 86 N -3.96 2.66 -4.81 0.86 3.02 -0.97 -1.72 115.26 110.34 2k3u n ASN 86 Ca -0.03 -3.11 -0.38 0.00 -0.03 0.00 0.00 54.58 51.04 2k3u n ASN 86 Cb 0.12 -0.46 -0.06 0.00 -0.61 0.00 0.00 39.78 38.77 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 -2.88 4.57 0.18 2.41 0.11 -0.81 -4.92 120.40 119.06 2k3u s VAL 87 Ca 0.34 1.36 -0.30 0.00 -2.93 0.00 0.00 61.98 60.45 2k3u s VAL 87 Cb 0.30 -3.94 -0.09 0.00 -1.53 0.00 0.00 36.38 31.12 2k3u s VAL 87 CO 0.04 0.37 1.36 -1.61 -3.33 0.00 0.00 175.10 171.93 2k3u s GLU 88 N -1.56 4.34 -0.23 1.54 0.41 -1.26 -1.82 118.70 120.12 2k3u s GLU 88 Ca 0.38 2.11 -0.18 0.00 -0.41 0.00 0.00 54.97 56.87 2k3u s GLU 88 Cb -0.19 -3.19 -0.03 0.00 -1.78 0.00 0.00 34.13 28.94 2k3u s GLU 88 CO 0.22 -0.34 0.51 -0.51 -0.49 0.00 0.00 175.26 174.64 2k3u s LEU 89 N 0.22 4.10 0.31 1.80 1.43 -0.11 -4.86 118.68 121.57 2k3u s LEU 89 Ca 0.60 0.58 0.13 0.00 -1.03 0.00 0.00 54.13 54.40 2k3u s LEU 89 Cb -0.38 -2.67 0.47 0.00 0.03 0.00 0.00 46.19 43.64 2k3u s LEU 89 CO 0.37 -0.23 1.66 -0.07 0.23 0.00 0.00 176.35 178.30 2k3u h LEU 90 N 8.37 0.00 0.00 1.79 3.38 -1.91 -3.45 115.31 123.49 2k3u h LEU 90 Ca -0.31 0.00 0.25 0.00 0.09 0.00 0.00 57.88 57.90 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 0.72 0.54 0.67 0.61 0.09 0.00 0.00 178.44 181.07 2k3u n GLY 91 N 0.21 0.39 3.60 0.83 0.00 -1.20 -4.58 105.19 104.44 2k3u n GLY 91 Ca -0.01 -1.03 -0.39 0.00 0.00 0.00 0.00 46.02 44.59 2k3u n GLY 91 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2k3u n LYS 92 N -0.71 1.08 -0.32 1.61 3.00 -1.26 -4.43 118.16 117.14 2k3u n LYS 92 Ca 0.02 0.40 -0.05 0.00 -0.00 0.00 0.00 58.31 58.69 2k3u n LYS 92 Cb 0.47 -2.08 -0.05 0.00 0.00 0.00 0.00 35.03 33.37 2k3u n LYS 92 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.40 177.28 2k3u n MET 93 N -0.41 0.69 -0.20 1.64 0.00 -0.44 -1.58 117.12 116.83 2k3u n MET 93 Ca 0.11 -0.41 0.01 0.00 0.00 0.00 0.00 57.70 57.41 2k3u n MET 93 Cb 0.44 -1.74 0.11 0.00 0.00 0.00 0.00 33.22 32.02 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 5.38 0.06 -3.18 1.12 3.20 -1.48 -3.17 116.97 118.89 2k3u h TYR 94 Ca 0.09 0.04 -0.17 0.00 3.14 0.00 0.00 58.73 61.84 2k3u h TYR 94 Cb 0.41 0.07 -0.25 0.00 1.54 0.00 0.00 36.73 38.49 2k3u h TYR 94 CO 1.36 -0.12 -0.44 0.21 -1.64 0.00 0.00 178.16 177.53 2k3u s LYS 95 N -6.13 0.29 0.02 1.82 2.47 -0.71 -1.95 119.74 115.55 2k3u s LYS 95 Ca -0.13 0.29 0.02 0.00 -1.56 0.00 0.00 55.97 54.58 2k3u s LYS 95 Cb 0.18 0.14 -0.01 0.00 -1.46 0.00 0.00 37.83 36.68 2k3u s LYS 95 CO 0.74 -0.04 -0.06 0.99 0.16 0.00 0.00 175.35 177.14 2k3u s THR 96 N 0.05 0.41 -0.02 3.43 2.01 -0.67 -0.90 115.64 119.94 2k3u s THR 96 Ca -0.01 -0.63 0.06 0.00 0.31 0.00 0.00 61.69 61.43 2k3u s THR 96 Cb -0.02 -0.42 -0.01 0.00 0.01 0.00 0.00 72.50 72.05 2k3u s THR 96 CO 0.00 -0.16 -0.20 -0.31 -0.69 0.00 0.00 174.62 173.27 2k3u s TYR 97 N -0.76 1.80 -0.01 4.92 2.02 0.46 -1.07 117.35 124.72 2k3u s TYR 97 Ca -0.05 -0.37 0.03 0.00 -0.37 0.00 0.00 57.07 56.32 2k3u s TYR 97 Cb -0.06 -1.17 -0.01 0.00 -0.40 0.00 0.00 41.96 40.33 2k3u s TYR 97 CO 0.00 -0.05 -0.11 -0.06 -1.57 0.00 0.00 175.55 173.76 2k3u s PHE 98 N -0.40 0.96 -0.08 2.71 0.40 0.48 -0.71 117.98 121.34 2k3u s PHE 98 Ca 0.06 -0.18 0.01 0.00 -0.60 0.00 0.00 56.93 56.22 2k3u s PHE 98 Cb -0.08 -0.62 0.02 0.00 0.51 0.00 0.00 43.02 42.85 2k3u s PHE 98 CO -0.00 -0.02 -0.09 -0.06 0.70 0.00 0.00 175.22 175.74 2k3u s PHE 99 N -0.23 1.36 0.92 0.36 0.40 -0.41 -1.93 117.98 118.45 2k3u s PHE 99 Ca 0.04 -0.55 -0.11 0.00 -0.60 0.00 0.00 56.93 55.70 2k3u s PHE 99 Cb -0.04 -1.06 0.14 0.00 0.51 0.00 0.00 43.02 42.57 2k3u s PHE 99 CO -0.00 -0.34 1.09 0.15 0.70 0.00 0.00 175.22 176.81 2k3u s LYS 100 N 1.06 1.03 -0.28 0.44 1.02 -1.26 -1.02 119.74 120.74 2k3u s LYS 100 Ca -0.07 0.92 -0.05 0.00 0.02 0.00 0.00 55.97 56.78 2k3u s LYS 100 Cb -0.14 -1.78 -0.05 0.00 -0.52 0.00 0.00 37.83 35.34 2k3u s LYS 100 CO -0.01 -2.42 1.38 1.63 -0.92 0.00 0.00 175.35 175.01 2k3u n LYS 101 N -4.02 0.62 0.00 1.68 5.02 0.48 -2.68 118.16 119.26 2k3u n LYS 101 Ca 0.07 -0.85 0.00 0.00 -2.02 0.00 0.00 58.31 55.51 2k3u n LYS 101 Cb 0.55 -2.20 0.00 0.00 -0.02 0.00 0.00 35.03 33.36 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 4.04 0.00 3.35 0.72 0.00 -1.26 -5.09 105.19 106.95 2k3u n GLY 102 Ca 0.18 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.05 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 0.71 -0.23 1.61 2.12 -1.09 -5.05 118.70 116.76 2k3u s GLU 103 Ca 0.00 0.23 0.22 0.00 0.36 0.00 0.00 54.97 55.78 2k3u s GLU 103 Cb 0.00 0.33 0.48 0.00 0.26 0.00 0.00 34.13 35.20 2k3u s GLU 103 CO 0.00 -0.17 1.16 0.43 -0.54 0.00 0.00 175.26 176.14 2k3u n SER 104 N 1.80 1.13 -3.64 -1.70 7.64 -1.26 -4.68 113.62 112.91 2k3u n SER 104 Ca -0.18 -2.04 -0.08 0.00 1.01 0.00 0.00 58.87 57.59 2k3u n SER 104 Cb 0.56 -0.32 -0.09 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 -2.82 0.34 0.51 1.43 2.20 -1.26 -5.15 119.74 114.99 2k3u s LYS 105 Ca 0.26 1.04 -0.21 0.00 -0.36 0.00 0.00 55.97 56.70 2k3u s LYS 105 Cb 0.34 0.34 -0.09 0.00 -1.51 0.00 0.00 37.83 36.91 2k3u s LYS 105 CO -0.07 -0.27 0.81 -1.13 -0.36 0.00 0.00 175.35 174.34 2k3u n SER 106 N 5.39 0.26 -0.00 1.43 3.41 -1.26 -4.91 113.62 117.94 2k3u n SER 106 Ca -0.08 0.88 0.05 0.00 -0.26 0.00 0.00 58.87 59.45 2k3u n SER 106 Cb 0.49 -1.29 -0.07 0.00 -0.26 0.00 0.00 64.21 63.08 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 0.23 1.55 -4.02 4.04 2.88 -0.81 -4.97 113.62 112.52 2k3u n SER 107 Ca 0.11 -0.36 -0.18 0.00 -1.33 0.00 0.00 58.87 57.12 2k3u n SER 107 Cb 0.44 1.27 -0.14 0.00 -0.75 0.00 0.00 64.21 65.02 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 -2.41 0.76 0.05 0.66 5.04 -1.18 -5.04 117.35 115.22 2k3u s TYR 108 Ca -0.00 -0.17 -0.16 0.00 -2.44 0.00 0.00 57.07 54.30 2k3u s TYR 108 Cb 0.08 -0.48 0.03 0.00 0.35 0.00 0.00 41.96 41.93 2k3u s TYR 108 CO 0.45 -0.01 0.35 0.54 -1.34 0.00 0.00 175.55 175.54 2k3u s VAL 109 N -0.31 0.07 -0.07 3.14 0.11 -1.26 -0.39 120.40 121.69 2k3u s VAL 109 Ca 0.02 -0.58 -0.02 0.00 -2.93 0.00 0.00 61.98 58.47 2k3u s VAL 109 Cb -0.04 -0.95 0.03 0.00 -1.53 0.00 0.00 36.38 33.90 2k3u s VAL 109 CO -0.00 -0.32 0.05 -0.63 -3.33 0.00 0.00 175.10 170.87 2k3u s ILE 110 N -2.55 0.05 -0.44 7.04 1.01 -0.23 -5.00 121.20 121.08 2k3u s ILE 110 Ca -0.05 0.24 -0.22 0.00 0.00 0.00 0.00 60.65 60.62 2k3u s ILE 110 Cb -0.01 -0.34 0.02 0.00 0.01 0.00 0.00 42.46 42.15 2k3u s ILE 110 CO -0.03 0.13 0.71 0.20 0.00 0.00 0.00 174.94 175.95 2k3u s ASN 111 N 2.10 6.36 0.00 3.58 0.01 -1.26 -1.67 114.94 124.06 2k3u s ASN 111 Ca 0.04 -0.24 0.00 0.00 -0.71 0.00 0.00 52.86 51.96 2k3u s ASN 111 Cb -0.13 -2.35 0.00 0.00 0.41 0.00 0.00 41.25 39.18 2k3u s ASN 111 CO -0.05 -0.84 0.00 0.61 -1.51 0.00 0.00 177.10 175.31 2k3u n GLY 112 N 5.01 3.96 3.68 0.66 0.00 -0.82 -5.01 105.19 112.67 2k3u n GLY 112 Ca 0.00 -2.15 -0.42 0.00 0.00 0.00 0.00 46.02 43.45 2k3u n GLY 112 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2k3u s PRO 113 N -1.26 4.18 0.00 1.61 0.04 -1.23 -4.50 135.00 133.84 2k3u s PRO 113 Ca 0.00 2.34 0.00 0.00 0.04 0.00 0.00 61.00 63.38 2k3u s PRO 113 Cb 0.00 -3.81 0.00 0.00 0.04 0.00 0.00 34.50 30.73 2k3u s PRO 113 CO 0.00 -0.81 0.00 0.41 0.04 0.00 0.00 177.00 176.64 2k3u n GLY 114 N 4.13 3.98 0.00 0.56 0.00 -1.26 -1.32 105.19 111.27 2k3u n GLY 114 Ca 0.17 -1.67 0.00 0.00 0.00 0.00 0.00 46.02 44.51 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 -1.62 3.23 -3.55 1.61 4.81 -1.26 -4.66 118.16 116.72 2k3u n LYS 115 Ca 0.00 0.00 -0.09 0.00 -0.87 0.00 0.00 58.31 57.35 2k3u n LYS 115 Cb 0.00 -0.32 -0.03 0.00 0.02 0.00 0.00 35.03 34.69 2k3u n LYS 115 CO 0.00 0.00 0.00 -0.08 1.17 0.00 0.00 177.40 178.49 2k3u s THR 116 N -0.17 0.00 -0.02 3.15 -1.32 -1.26 -5.03 115.64 110.99 2k3u s THR 116 Ca 0.00 0.00 0.21 0.00 -1.21 0.00 0.00 61.69 60.69 2k3u s THR 116 Cb 0.00 -1.00 0.19 0.00 -1.51 0.00 0.00 72.50 70.18 2k3u s THR 116 CO 0.00 0.00 1.69 0.78 -2.21 0.00 0.00 174.62 174.88 2k3u h ASN 117 N 2.23 0.00 -3.34 8.08 -0.26 -1.94 -3.33 115.58 117.02 2k3u h ASN 117 Ca -0.19 0.00 -0.64 0.00 -0.56 0.00 0.00 56.30 54.92 2k3u h ASN 117 Cb 1.20 0.00 -0.14 0.00 -1.06 0.00 0.00 38.32 38.32 2k3u h ASN 117 CO 0.30 0.29 0.34 -1.61 -1.06 0.00 0.00 177.43 175.68 2k3u s GLU 118 N -3.39 3.28 -1.11 0.81 2.02 -1.26 -0.44 118.70 118.61 2k3u s GLU 118 Ca 0.02 -0.42 -0.26 0.00 0.02 0.00 0.00 54.97 54.34 2k3u s GLU 118 Cb 0.09 -4.03 0.04 0.00 0.10 0.00 0.00 34.13 30.32 2k3u s GLU 118 CO 0.67 -1.29 0.49 2.48 0.02 0.00 0.00 175.26 177.63 2k3u n TYR 119 N 6.84 -1.17 0.66 1.61 4.11 -1.26 -4.82 117.16 123.13 2k3u n TYR 119 Ca -0.01 0.12 0.00 0.00 -0.00 0.00 0.00 57.90 58.02 2k3u n TYR 119 Cb 0.47 -2.40 0.00 0.00 -0.00 0.00 0.00 39.34 37.41 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 -4.50 2.01 -1.48 -3.48 0.00 -1.26 -5.03 120.51 106.77 2k3u n ALA 120 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.31 2k3u n ALA 120 Cb 0.51 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.96 2k3u n ALA 120 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48