#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 5.58 0.00 6.41 0.15 -1.26 -5.06 113.70 119.52 2k3u s SER 32 Ca 0.00 2.40 0.00 0.00 0.70 0.00 0.00 55.95 59.05 2k3u s SER 32 Cb 0.00 -2.60 0.00 0.00 -1.71 0.00 0.00 66.02 61.71 2k3u s SER 32 CO 0.00 -1.33 0.00 0.61 1.20 0.00 0.00 173.24 173.72 2k3u n GLY 33 N 0.48 1.65 3.20 9.45 0.00 -1.26 -5.19 105.19 113.53 2k3u n GLY 33 Ca 0.11 -0.81 -0.09 0.00 0.00 0.00 0.00 46.02 45.23 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 1.36 0.42 0.99 1.43 -1.26 -5.05 118.68 116.57 2k3u s LEU 34 Ca 0.00 -0.53 0.12 0.00 -1.03 0.00 0.00 54.13 52.69 2k3u s LEU 34 Cb 0.00 1.04 0.92 0.00 0.03 0.00 0.00 46.19 48.18 2k3u s LEU 34 CO 0.00 -0.67 1.97 1.55 0.23 0.00 0.00 176.35 179.43 2k3u h PRO 35 N 2.99 0.12 0.00 1.29 0.13 -1.99 -3.46 132.00 131.07 2k3u h PRO 35 Ca -0.33 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.77 2k3u h PRO 35 Cb 1.20 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.31 2k3u h PRO 35 CO 0.53 0.26 0.00 -2.37 -0.23 0.00 0.00 178.00 176.19 2k3u n THR 36 N -4.32 0.00 -4.43 1.56 5.66 -1.26 -4.87 114.28 106.62 2k3u n THR 36 Ca -0.02 0.00 -0.22 0.00 -3.05 0.00 0.00 64.05 60.77 2k3u n THR 36 Cb 0.24 0.00 -0.16 0.00 -1.55 0.00 0.00 70.33 68.86 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 -0.74 0.87 0.40 1.09 -4.23 -1.26 -1.48 115.64 110.29 2k3u s THR 37 Ca 0.00 -0.37 0.09 0.00 -1.18 0.00 0.00 61.69 60.23 2k3u s THR 37 Cb 0.00 -0.80 0.19 0.00 1.34 0.00 0.00 72.50 73.23 2k3u s THR 37 CO 0.00 0.28 1.96 0.25 -0.54 0.00 0.00 174.62 176.57 2k3u h LEU 38 N 6.71 0.29 -0.99 4.79 5.85 -1.54 -2.91 115.31 127.50 2k3u h LEU 38 Ca -0.34 -0.04 0.22 0.00 0.84 0.00 0.00 57.88 58.56 2k3u h LEU 38 Cb 1.17 -0.07 -0.12 0.00 0.37 0.00 0.00 40.66 42.01 2k3u h LEU 38 CO 0.48 0.37 0.59 1.23 -0.34 0.00 0.00 178.44 180.76 2k3u h GLY 39 N 0.65 1.82 1.27 3.75 0.00 -1.33 0.21 103.07 109.44 2k3u h GLY 39 Ca 0.07 -0.33 -0.08 0.00 0.00 0.00 0.00 47.33 46.99 2k3u h GLY 39 CO 0.01 -0.16 -0.00 0.50 0.00 0.00 0.00 176.54 176.89 2k3u h LYS 40 N 0.66 0.88 -0.20 4.80 1.57 -1.75 -2.33 116.57 120.20 2k3u h LYS 40 Ca 0.61 -0.25 -0.20 0.00 -1.87 0.00 0.00 60.65 58.93 2k3u h LYS 40 Cb 1.05 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 33.27 2k3u h LYS 40 CO -0.43 0.88 -0.68 1.25 -0.57 0.00 0.00 179.45 179.90 2k3u h LEU 41 N 0.82 0.90 -0.96 2.94 5.85 -1.33 -2.84 115.31 120.68 2k3u h LEU 41 Ca 0.15 -0.54 0.08 0.00 0.84 0.00 0.00 57.88 58.41 2k3u h LEU 41 Cb 0.49 -0.26 -0.07 0.00 0.37 0.00 0.00 40.66 41.19 2k3u h LEU 41 CO 0.02 1.33 0.61 -0.78 -0.34 0.00 0.00 178.44 179.28 2k3u h ASP 42 N 0.56 0.95 -0.23 1.25 1.82 -0.87 0.15 116.42 120.05 2k3u h ASP 42 Ca -0.02 0.02 -0.02 0.00 -0.39 0.00 0.00 57.03 56.62 2k3u h ASP 42 Cb 1.29 -0.18 -0.01 0.00 0.68 0.00 0.00 39.33 41.11 2k3u h ASP 42 CO 0.14 0.58 0.08 -0.08 -1.61 0.00 0.00 179.24 178.35 2k3u h GLU 43 N 1.07 0.35 -0.43 0.28 4.57 -1.44 -0.99 114.58 118.00 2k3u h GLU 43 Ca 0.43 -0.07 0.02 0.00 -1.18 0.00 0.00 59.36 58.56 2k3u h GLU 43 Cb 0.25 -0.05 -0.03 0.00 -0.16 0.00 0.00 28.75 28.75 2k3u h GLU 43 CO -0.20 0.42 0.25 -0.09 -1.18 0.00 0.00 179.01 178.22 2k3u h ARG 44 N 0.21 0.50 -0.40 1.92 9.65 -1.17 -2.40 114.38 122.69 2k3u h ARG 44 Ca 0.07 -0.03 -0.14 0.00 -1.10 0.00 0.00 59.98 58.79 2k3u h ARG 44 Cb 0.21 -0.11 -0.01 0.00 -1.39 0.00 0.00 29.97 28.67 2k3u h ARG 44 CO -0.00 0.33 -0.29 -0.07 2.80 0.00 0.00 179.97 182.73 2k3u h LEU 45 N 0.51 0.94 -1.73 3.80 3.38 -0.62 0.43 115.31 122.03 2k3u h LEU 45 Ca 0.17 -0.44 -0.04 0.00 0.09 0.00 0.00 57.88 57.66 2k3u h LEU 45 Cb 0.00 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.48 2k3u h LEU 45 CO -0.07 1.18 -0.17 0.03 0.09 0.00 0.00 178.44 179.49 2k3u h ARG 46 N 0.71 0.00 -0.06 1.13 3.08 -1.16 -1.31 114.38 116.78 2k3u h ARG 46 Ca 0.08 0.00 -0.18 0.00 0.07 0.00 0.00 59.98 59.94 2k3u h ARG 46 Cb 0.87 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.94 2k3u h ARG 46 CO 0.08 0.17 -0.68 -0.91 -1.07 0.00 0.00 179.97 177.56 2k3u h ASN 47 N 0.00 0.70 -0.23 7.04 2.35 -1.06 -3.23 115.58 121.15 2k3u h ASN 47 Ca -0.00 -0.70 0.07 0.00 -0.55 0.00 0.00 56.30 55.12 2k3u h ASN 47 Cb 0.39 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.54 2k3u h ASN 47 CO 0.02 1.29 0.18 1.88 -1.65 0.00 0.00 177.43 179.16 2k3u h TYR 48 N 0.16 0.00 0.08 1.19 -1.99 -0.28 -0.45 116.97 115.68 2k3u h TYR 48 Ca -0.07 0.00 -0.00 0.00 2.00 0.00 0.00 58.73 60.66 2k3u h TYR 48 Cb 1.35 0.00 0.00 0.00 2.00 0.00 0.00 36.73 40.08 2k3u h TYR 48 CO 0.12 0.00 -0.04 -0.07 -0.00 0.00 0.00 178.16 178.17 2k3u h LEU 49 N 0.00 -0.09 -0.63 3.88 3.38 -1.32 -2.22 115.31 118.31 2k3u h LEU 49 Ca 0.11 -0.21 -0.14 0.00 0.09 0.00 0.00 57.88 57.72 2k3u h LEU 49 Cb 0.47 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 2k3u h LEU 49 CO -0.00 0.16 -0.51 0.11 0.09 0.00 0.00 178.44 178.29 2k3u h LYS 50 N -0.34 0.45 -0.13 1.13 1.57 -1.29 -0.46 116.57 117.50 2k3u h LYS 50 Ca -0.01 -0.27 -0.10 0.00 -1.87 0.00 0.00 60.65 58.40 2k3u h LYS 50 Cb 0.29 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.62 2k3u h LYS 50 CO 0.02 0.86 -0.37 0.87 -0.57 0.00 0.00 179.45 180.26 2k3u h LYS 51 N 0.36 0.28 0.00 3.15 1.79 -1.25 -3.40 116.57 117.50 2k3u h LYS 51 Ca 0.01 -0.12 -0.03 0.00 -2.18 0.00 0.00 60.65 58.33 2k3u h LYS 51 Cb 1.02 -0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 31.66 2k3u h LYS 51 CO 0.09 0.62 -1.41 0.41 -1.08 0.00 0.00 179.45 178.08 2k3u n GLY 52 N -0.26 -0.38 3.84 3.86 0.00 -0.83 -5.02 105.19 106.40 2k3u n GLY 52 Ca -0.01 -0.18 -0.22 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.49 4.13 0.27 2.61 -4.23 -0.21 -5.03 115.64 110.68 2k3u s THR 53 Ca -0.03 -1.37 -0.02 0.00 -1.18 0.00 0.00 61.69 59.09 2k3u s THR 53 Cb 0.05 -3.34 0.14 0.00 1.34 0.00 0.00 72.50 70.69 2k3u s THR 53 CO 0.34 -0.28 1.80 0.11 -0.54 0.00 0.00 174.62 176.05 2k3u h LYS 54 N 1.38 0.85 -1.71 3.99 1.57 -1.92 -3.44 116.57 117.29 2k3u h LYS 54 Ca -0.47 -0.19 0.02 0.00 -1.87 0.00 0.00 60.65 58.14 2k3u h LYS 54 Cb 1.24 -0.12 -0.23 0.00 0.08 0.00 0.00 32.23 33.21 2k3u h LYS 54 CO 0.60 0.78 -0.27 1.21 -0.57 0.00 0.00 179.45 181.20 2k3u s ASN 55 N -6.58 -0.89 0.46 0.86 2.47 -1.26 -5.04 114.94 104.95 2k3u s ASN 55 Ca -0.10 1.04 0.13 0.00 0.42 0.00 0.00 52.86 54.35 2k3u s ASN 55 Cb 0.15 1.93 1.04 0.00 -1.45 0.00 0.00 41.25 42.93 2k3u s ASN 55 CO 0.81 -0.25 2.05 -1.28 -3.72 0.00 0.00 177.10 174.71 2k3u h SER 56 N 8.05 0.12 0.52 -4.21 0.87 -1.85 -3.35 113.55 113.71 2k3u h SER 56 Ca -0.20 -0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.35 2k3u h SER 56 Cb 1.13 -0.03 0.00 0.00 -0.44 0.00 0.00 62.40 63.06 2k3u h SER 56 CO 0.18 0.17 0.00 0.00 -0.53 0.00 0.00 176.83 176.66 2k3u n ALA 57 N -2.51 1.52 0.28 6.23 0.00 -1.26 -1.86 120.51 122.92 2k3u n ALA 57 Ca -0.01 0.07 0.13 0.00 0.00 0.00 0.00 53.44 53.63 2k3u n ALA 57 Cb 0.16 -1.32 0.29 0.00 0.00 0.00 0.00 19.45 18.58 2k3u n ALA 57 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.50 176.94 2k3u h GLN 58 N 0.00 0.00 -7.07 0.00 3.07 -1.98 -3.46 115.11 105.66 2k3u h GLN 58 Ca 0.00 0.00 -0.45 0.00 0.09 0.00 0.00 58.65 58.29 2k3u h GLN 58 Cb 0.26 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.81 2k3u h GLN 58 CO 0.00 0.00 0.35 -0.06 0.09 0.00 0.00 178.83 179.21 2k3u s PHE 59 N -3.28 3.25 0.00 0.06 0.08 -0.78 -0.79 117.98 116.53 2k3u s PHE 59 Ca 0.06 1.60 0.00 0.00 0.12 0.00 0.00 56.93 58.71 2k3u s PHE 59 Cb 0.07 -2.89 0.00 0.00 -0.57 0.00 0.00 43.02 39.62 2k3u s PHE 59 CO 0.63 -0.27 0.00 -0.85 -0.10 0.00 0.00 175.22 174.63 2k3u n GLU 60 N -0.74 3.11 -4.01 0.44 0.28 -0.14 -4.70 120.64 114.88 2k3u n GLU 60 Ca 0.07 0.00 -0.10 0.00 -0.16 0.00 0.00 57.16 56.97 2k3u n GLU 60 Cb 0.54 -0.90 -0.05 0.00 1.43 0.00 0.00 31.44 32.46 2k3u n GLU 60 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 177.13 175.38 2k3u s LYS 61 N -1.80 1.65 0.05 3.44 -2.85 -1.23 -0.10 119.74 118.90 2k3u s LYS 61 Ca 0.00 -1.38 -0.04 0.00 -1.00 0.00 0.00 55.97 53.55 2k3u s LYS 61 Cb 0.00 0.47 -0.02 0.00 -2.06 0.00 0.00 37.83 36.21 2k3u s LYS 61 CO 0.00 -0.69 0.05 0.00 0.10 0.00 0.00 175.35 174.82 2k3u s MET 62 N -3.72 0.64 0.00 1.78 0.23 -0.18 -2.04 119.30 116.02 2k3u s MET 62 Ca 0.24 -1.00 0.00 0.00 -1.03 0.00 0.00 55.69 53.91 2k3u s MET 62 Cb -0.01 0.24 -0.00 0.00 -1.53 0.00 0.00 34.83 33.53 2k3u s MET 62 CO 0.12 -0.15 -0.02 0.54 -2.03 0.00 0.00 175.02 173.48 2k3u s VAL 63 N -3.40 0.11 -0.12 5.16 0.11 -0.24 -1.02 120.40 121.00 2k3u s VAL 63 Ca 0.02 -0.23 -0.00 0.00 -2.93 0.00 0.00 61.98 58.84 2k3u s VAL 63 Cb 0.04 -0.13 0.02 0.00 -1.53 0.00 0.00 36.38 34.78 2k3u s VAL 63 CO -0.08 -0.07 -0.09 -0.63 -3.33 0.00 0.00 175.10 170.90 2k3u s ILE 64 N -0.31 1.12 -0.15 7.04 1.01 0.35 -0.71 121.20 129.56 2k3u s ILE 64 Ca -0.03 -0.36 -0.05 0.00 0.00 0.00 0.00 60.65 60.22 2k3u s ILE 64 Cb -0.02 -1.12 -0.03 0.00 0.01 0.00 0.00 42.46 41.29 2k3u s ILE 64 CO -0.00 0.37 0.02 -0.76 0.00 0.00 0.00 174.94 174.57 2k3u s LEU 65 N 1.67 3.62 0.39 2.97 1.43 -0.05 -1.32 118.68 127.39 2k3u s LEU 65 Ca 0.05 0.05 0.08 0.00 -1.03 0.00 0.00 54.13 53.28 2k3u s LEU 65 Cb -0.13 -1.88 -0.07 0.00 0.03 0.00 0.00 46.19 44.14 2k3u s LEU 65 CO -0.09 0.23 0.01 0.42 0.23 0.00 0.00 176.35 177.16 2k3u s THR 66 N -0.01 2.18 1.23 5.49 -4.23 -0.88 -1.27 115.64 118.14 2k3u s THR 66 Ca 0.04 -2.00 -0.15 0.00 -1.18 0.00 0.00 61.69 58.40 2k3u s THR 66 Cb -0.13 -2.90 0.31 0.00 1.34 0.00 0.00 72.50 71.12 2k3u s THR 66 CO 0.02 -0.07 1.00 -1.61 -0.54 0.00 0.00 174.62 173.42 2k3u s GLU 67 N -3.72 -1.44 -1.48 3.99 2.02 -0.56 -3.69 118.70 113.82 2k3u s GLU 67 Ca 0.35 0.63 -0.03 0.00 0.02 0.00 0.00 54.97 55.94 2k3u s GLU 67 Cb 0.06 -1.51 0.01 0.00 0.10 0.00 0.00 34.13 32.80 2k3u s GLU 67 CO 0.19 -4.01 0.30 0.09 0.02 0.00 0.00 175.26 171.84 2k3u n ASN 68 N -5.09 -5.24 -1.44 -0.19 3.02 -0.62 -3.46 115.26 102.24 2k3u n ASN 68 Ca 0.05 -0.13 -0.17 0.00 -0.03 0.00 0.00 54.58 54.29 2k3u n ASN 68 Cb 0.56 -4.32 -0.06 0.00 -0.61 0.00 0.00 39.78 35.35 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 -3.46 -1.24 -2.38 3.52 5.02 0.17 -4.89 118.16 114.90 2k3u n LYS 69 Ca -0.14 1.07 -0.33 0.00 -2.02 0.00 0.00 58.31 56.88 2k3u n LYS 69 Cb 0.63 -5.34 -0.02 0.00 -0.02 0.00 0.00 35.03 30.27 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 -2.72 2.30 -0.05 0.72 0.00 -1.22 -4.95 107.32 101.41 2k3u s GLY 70 Ca 0.00 0.45 -0.03 0.00 0.00 0.00 0.00 44.72 45.14 2k3u s GLY 70 CO 0.00 0.76 0.11 -0.47 0.00 0.00 0.00 173.10 173.50 2k3u s TYR 71 N -2.26 -0.12 -0.05 1.90 6.14 -1.26 -2.08 117.35 119.63 2k3u s TYR 71 Ca 0.64 0.33 -0.08 0.00 0.64 0.00 0.00 57.07 58.60 2k3u s TYR 71 Cb -0.14 -0.01 0.01 0.00 0.42 0.00 0.00 41.96 42.24 2k3u s TYR 71 CO 0.27 -0.09 0.20 0.71 0.64 0.00 0.00 175.55 177.28 2k3u s TYR 72 N 0.42 -0.14 -0.01 4.97 1.51 -0.43 -4.99 117.35 118.68 2k3u s TYR 72 Ca -0.03 0.31 0.02 0.00 -1.01 0.00 0.00 57.07 56.36 2k3u s TYR 72 Cb -0.04 0.04 -0.00 0.00 -0.11 0.00 0.00 41.96 41.84 2k3u s TYR 72 CO -0.02 -0.20 -0.06 -0.08 -1.11 0.00 0.00 175.55 174.08 2k3u s THR 73 N -0.55 0.51 -0.11 -0.71 -1.32 -1.26 -0.49 115.64 111.70 2k3u s THR 73 Ca -0.06 -0.27 -0.05 0.00 -1.21 0.00 0.00 61.69 60.10 2k3u s THR 73 Cb -0.04 -0.44 0.05 0.00 -1.51 0.00 0.00 72.50 70.56 2k3u s THR 73 CO 0.01 0.15 0.25 -0.69 -2.21 0.00 0.00 174.62 172.13 2k3u s VAL 74 N -0.08 -0.17 0.29 5.08 1.01 -0.19 -5.01 120.40 121.33 2k3u s VAL 74 Ca 0.02 0.20 -0.29 0.00 0.00 0.00 0.00 61.98 61.90 2k3u s VAL 74 Cb -0.03 -0.39 -0.10 0.00 0.00 0.00 0.00 36.38 35.85 2k3u s VAL 74 CO -0.00 0.08 1.23 -0.31 0.00 0.00 0.00 175.10 176.10 2k3u s TYR 75 N 1.68 3.27 -0.66 5.22 2.02 -1.26 -1.00 117.35 126.62 2k3u s TYR 75 Ca -0.05 1.49 0.23 0.00 -0.37 0.00 0.00 57.07 58.37 2k3u s TYR 75 Cb -0.11 -3.52 0.08 0.00 -0.40 0.00 0.00 41.96 38.01 2k3u s TYR 75 CO -0.08 -1.38 1.06 1.28 -1.57 0.00 0.00 175.55 174.86 2k3u n LEU 76 N 1.23 0.63 0.07 -1.29 4.77 0.85 -3.89 117.00 119.36 2k3u n LEU 76 Ca 0.01 -0.03 0.08 0.00 -0.03 0.00 0.00 56.01 56.03 2k3u n LEU 76 Cb 0.43 -0.11 0.37 0.00 -2.33 0.00 0.00 43.42 41.78 2k3u n LEU 76 CO 0.57 0.06 0.75 0.59 -1.33 0.00 0.00 177.39 178.03 2k3u n ASN 77 N -1.91 0.33 -3.83 -1.43 3.02 -1.20 -4.82 115.26 105.41 2k3u n ASN 77 Ca 0.02 0.60 -0.12 0.00 -0.03 0.00 0.00 54.58 55.06 2k3u n ASN 77 Cb 0.42 -0.67 -0.10 0.00 -0.61 0.00 0.00 39.78 38.82 2k3u n ASN 77 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 2k3u s THR 78 N -3.21 0.05 0.49 3.41 -4.23 -1.25 -5.15 115.64 105.75 2k3u s THR 78 Ca 0.03 -0.44 -0.24 0.00 -1.18 0.00 0.00 61.69 59.86 2k3u s THR 78 Cb 0.07 -0.41 -0.07 0.00 1.34 0.00 0.00 72.50 73.43 2k3u s THR 78 CO 0.25 -0.24 1.40 -2.84 -0.54 0.00 0.00 174.62 172.65 2k3u s PRO 79 N -0.90 3.45 0.15 3.99 0.02 -1.26 -4.81 135.00 135.63 2k3u s PRO 79 Ca -0.10 2.34 -0.31 0.00 0.02 0.00 0.00 61.00 62.95 2k3u s PRO 79 Cb -0.05 -2.48 -0.08 0.00 0.02 0.00 0.00 34.50 31.90 2k3u s PRO 79 CO 0.02 -0.98 1.39 -0.48 -0.33 0.00 0.00 177.00 176.62 2k3u s LEU 80 N -3.07 4.38 0.97 -5.54 2.34 -1.26 -4.99 118.68 111.52 2k3u s LEU 80 Ca 0.65 2.39 -0.11 0.00 0.06 0.00 0.00 54.13 57.13 2k3u s LEU 80 Cb -0.42 -3.59 0.18 0.00 -0.56 0.00 0.00 46.19 41.79 2k3u s LEU 80 CO 0.52 -0.65 1.10 0.00 -1.06 0.00 0.00 176.35 176.27 2k3u s ALA 81 N 0.83 0.98 0.43 1.48 0.00 -1.26 -4.49 121.76 119.72 2k3u s ALA 81 Ca 0.63 0.31 0.17 0.00 0.00 0.00 0.00 51.96 53.07 2k3u s ALA 81 Cb -0.38 -3.36 1.09 0.00 0.00 0.00 0.00 23.12 20.47 2k3u s ALA 81 CO 0.33 -2.96 1.88 1.05 0.00 0.00 0.00 175.76 176.05 2k3u h GLU 82 N -2.00 0.39 0.09 0.00 4.11 -2.00 0.22 114.58 115.38 2k3u h GLU 82 Ca -0.49 -0.02 -0.26 0.00 0.07 0.00 0.00 59.36 58.66 2k3u h GLU 82 Cb 1.29 -0.09 0.01 0.00 0.50 0.00 0.00 28.75 30.46 2k3u h GLU 82 CO 0.46 0.25 -1.14 -0.44 0.07 0.00 0.00 179.01 178.21 2k3u h ASP 83 N 0.40 0.53 0.61 3.06 3.32 -1.99 -3.30 116.42 119.05 2k3u h ASP 83 Ca 0.43 -0.50 -0.07 0.00 0.02 0.00 0.00 57.03 56.91 2k3u h ASP 83 Cb 1.08 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 40.45 2k3u h ASP 83 CO -0.15 1.35 -0.32 0.03 -1.72 0.00 0.00 179.24 178.43 2k3u h ARG 84 N 0.16 0.00 -0.06 3.56 3.08 -1.34 -1.00 114.38 118.77 2k3u h ARG 84 Ca -0.13 0.00 0.02 0.00 0.07 0.00 0.00 59.98 59.94 2k3u h ARG 84 Cb 1.83 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.87 2k3u h ARG 84 CO 0.20 0.32 0.05 0.87 -1.07 0.00 0.00 179.97 180.33 2k3u h LYS 85 N 0.00 0.00 0.00 0.04 1.57 -1.29 -3.32 116.57 113.57 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 0.70 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.01 2k3u h LYS 85 CO 0.04 0.00 0.00 0.09 -0.57 0.00 0.00 179.45 179.01 2k3u n ASN 86 N -4.46 0.99 -4.73 0.86 3.02 -0.86 -1.39 115.26 108.69 2k3u n ASN 86 Ca -0.01 -1.37 -0.41 0.00 -0.03 0.00 0.00 54.58 52.75 2k3u n ASN 86 Cb 0.15 0.00 0.01 0.00 -0.61 0.00 0.00 39.78 39.33 2k3u n ASN 86 CO 0.00 0.00 0.00 0.55 -2.62 0.00 0.00 177.26 175.19 2k3u n VAL 87 N -0.18 2.33 -2.61 2.41 3.14 -0.44 -4.79 118.33 118.19 2k3u n VAL 87 Ca 0.00 -0.50 -0.42 0.00 -2.96 0.00 0.00 64.34 60.46 2k3u n VAL 87 Cb 0.25 -1.73 -0.03 0.00 -1.06 0.00 0.00 33.84 31.27 2k3u n VAL 87 CO 0.00 0.00 0.00 -1.61 -6.46 0.00 0.00 176.83 168.76 2k3u s GLU 88 N -2.15 4.46 -0.22 1.45 2.02 -1.26 -2.23 118.70 120.77 2k3u s GLU 88 Ca 0.58 1.52 -0.29 0.00 0.02 0.00 0.00 54.97 56.79 2k3u s GLU 88 Cb -0.50 -3.48 0.01 0.00 0.10 0.00 0.00 34.13 30.26 2k3u s GLU 88 CO 0.60 -0.23 1.05 -0.51 0.02 0.00 0.00 175.26 176.19 2k3u s LEU 89 N 1.50 4.11 0.28 1.80 1.43 -0.55 -4.92 118.68 122.33 2k3u s LEU 89 Ca 0.53 1.40 0.07 0.00 -1.03 0.00 0.00 54.13 55.10 2k3u s LEU 89 Cb -0.22 -3.54 0.40 0.00 0.03 0.00 0.00 46.19 42.85 2k3u s LEU 89 CO 0.24 -0.66 1.65 -0.07 0.23 0.00 0.00 176.35 177.74 2k3u h LEU 90 N 9.39 0.17 0.00 1.79 3.38 -1.91 -3.45 115.31 124.68 2k3u h LEU 90 Ca -0.20 -0.09 0.11 0.00 0.09 0.00 0.00 57.88 57.80 2k3u h LEU 90 Cb 1.07 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.75 2k3u h LEU 90 CO 0.97 0.66 0.38 0.61 0.09 0.00 0.00 178.44 181.16 2k3u n GLY 91 N 0.02 0.80 3.69 0.83 0.00 -1.23 -4.66 105.19 104.64 2k3u n GLY 91 Ca -0.02 -1.04 -0.40 0.00 0.00 0.00 0.00 46.02 44.57 2k3u n GLY 91 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2k3u n LYS 92 N -0.45 1.61 -1.63 1.61 4.01 -1.26 -4.58 118.16 117.46 2k3u n LYS 92 Ca -0.01 0.59 -0.46 0.00 -0.51 0.00 0.00 58.31 57.92 2k3u n LYS 92 Cb 0.35 -2.38 -0.04 0.00 -0.51 0.00 0.00 35.03 32.45 2k3u n LYS 92 CO 0.00 0.00 0.00 -0.12 -1.11 0.00 0.00 177.40 176.17 2k3u n MET 93 N -0.51 2.22 -0.08 1.97 0.00 -1.26 -1.50 117.12 117.95 2k3u n MET 93 Ca 0.09 0.76 -0.12 0.00 -0.00 0.00 0.00 57.70 58.44 2k3u n MET 93 Cb 0.43 -2.87 -0.06 0.00 0.00 0.00 0.00 33.22 30.72 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 11.33 0.00 -2.50 1.12 3.20 -1.42 -2.59 116.97 126.11 2k3u h TYR 94 Ca -0.45 0.00 -0.09 0.00 3.14 0.00 0.00 58.73 61.33 2k3u h TYR 94 Cb 1.26 0.00 -0.22 0.00 1.54 0.00 0.00 36.73 39.31 2k3u h TYR 94 CO 0.93 0.63 -0.10 0.21 -1.64 0.00 0.00 178.16 178.19 2k3u s LYS 95 N -2.26 0.66 0.06 1.82 2.20 -0.89 -2.05 119.74 119.28 2k3u s LYS 95 Ca -0.20 0.58 0.08 0.00 -0.36 0.00 0.00 55.97 56.07 2k3u s LYS 95 Cb 0.03 0.32 -0.03 0.00 -1.51 0.00 0.00 37.83 36.64 2k3u s LYS 95 CO 0.37 -0.11 -0.21 0.99 -0.36 0.00 0.00 175.35 176.04 2k3u s THR 96 N -0.04 2.61 0.07 3.43 2.01 -0.13 -0.87 115.64 122.72 2k3u s THR 96 Ca -0.03 -1.32 0.06 0.00 0.31 0.00 0.00 61.69 60.71 2k3u s THR 96 Cb -0.03 -2.10 -0.03 0.00 0.01 0.00 0.00 72.50 70.34 2k3u s THR 96 CO 0.02 0.29 -0.17 -0.31 -0.69 0.00 0.00 174.62 173.76 2k3u s TYR 97 N -0.94 1.43 -0.00 4.92 1.51 0.11 -1.36 117.35 123.02 2k3u s TYR 97 Ca 0.14 -0.41 0.01 0.00 -1.01 0.00 0.00 57.07 55.81 2k3u s TYR 97 Cb -0.10 -0.81 -0.00 0.00 -0.11 0.00 0.00 41.96 40.93 2k3u s TYR 97 CO 0.05 0.09 -0.03 -0.06 -1.11 0.00 0.00 175.55 174.49 2k3u s PHE 98 N -1.06 0.28 -0.06 2.71 0.40 0.10 -1.08 117.98 119.27 2k3u s PHE 98 Ca 0.02 -0.06 0.02 0.00 -0.60 0.00 0.00 56.93 56.31 2k3u s PHE 98 Cb -0.09 -0.18 0.01 0.00 0.51 0.00 0.00 43.02 43.27 2k3u s PHE 98 CO 0.02 -0.01 -0.12 -0.06 0.70 0.00 0.00 175.22 175.76 2k3u s PHE 99 N -0.10 1.40 0.73 0.36 0.40 -0.86 -1.56 117.98 118.35 2k3u s PHE 99 Ca 0.01 -0.50 -0.11 0.00 -0.60 0.00 0.00 56.93 55.73 2k3u s PHE 99 Cb -0.01 -1.03 0.03 0.00 0.51 0.00 0.00 43.02 42.52 2k3u s PHE 99 CO -0.00 -0.26 1.07 0.15 0.70 0.00 0.00 175.22 176.88 2k3u s LYS 100 N 0.64 2.64 -0.48 0.44 1.02 -1.26 -0.97 119.74 121.77 2k3u s LYS 100 Ca -0.14 0.80 -0.37 0.00 0.02 0.00 0.00 55.97 56.29 2k3u s LYS 100 Cb -0.15 -1.97 -0.15 0.00 -0.52 0.00 0.00 37.83 35.04 2k3u s LYS 100 CO 0.03 -1.27 2.25 1.17 -0.92 0.00 0.00 175.35 176.61 2k3u n LYS 101 N -3.22 0.60 -0.86 1.68 3.00 0.03 -1.84 118.16 117.55 2k3u n LYS 101 Ca 0.07 0.15 0.00 0.00 -0.00 0.00 0.00 58.31 58.53 2k3u n LYS 101 Cb 0.55 -2.10 0.00 0.00 0.00 0.00 0.00 35.03 33.48 2k3u n LYS 101 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2k3u n GLY 102 N 6.82 0.72 3.62 3.14 0.00 -1.26 -5.07 105.19 113.16 2k3u n GLY 102 Ca 0.48 -0.66 -0.28 0.00 0.00 0.00 0.00 46.02 45.56 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 -1.83 1.96 0.00 1.61 2.02 -0.77 -5.09 118.70 116.60 2k3u s GLU 103 Ca 0.00 -2.12 0.00 0.00 0.02 0.00 0.00 54.97 52.87 2k3u s GLU 103 Cb 0.00 -1.56 0.00 0.00 0.10 0.00 0.00 34.13 32.67 2k3u s GLU 103 CO 0.00 -0.09 0.00 -1.13 0.02 0.00 0.00 175.26 174.06 2k3u n SER 104 N -0.98 0.00 -4.05 -0.19 3.41 -1.26 -4.85 113.62 105.71 2k3u n SER 104 Ca -0.06 -0.55 -0.22 0.00 -0.26 0.00 0.00 58.87 57.77 2k3u n SER 104 Cb 0.67 0.00 -0.16 0.00 -0.26 0.00 0.00 64.21 64.46 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 0.00 1.20 1.07 4.33 2.20 -1.26 -5.14 119.74 122.14 2k3u s LYS 105 Ca 0.00 -0.40 -0.12 0.00 -0.36 0.00 0.00 55.97 55.09 2k3u s LYS 105 Cb 0.00 -1.10 0.23 0.00 -1.51 0.00 0.00 37.83 35.45 2k3u s LYS 105 CO 0.00 0.16 1.07 -1.54 -0.36 0.00 0.00 175.35 174.68 2k3u s SER 106 N 0.11 1.73 0.00 1.43 1.04 -1.26 -4.84 113.70 111.91 2k3u s SER 106 Ca -0.03 1.69 0.00 0.00 0.48 0.00 0.00 55.95 58.10 2k3u s SER 106 Cb -0.09 -2.36 0.00 0.00 0.10 0.00 0.00 66.02 63.67 2k3u s SER 106 CO 0.01 -3.76 0.00 -0.24 0.98 0.00 0.00 173.24 170.23 2k3u n SER 107 N -4.64 0.46 -4.00 7.02 2.88 -0.60 -5.00 113.62 109.75 2k3u n SER 107 Ca 0.06 -0.12 -0.16 0.00 -1.33 0.00 0.00 58.87 57.32 2k3u n SER 107 Cb 0.54 0.33 -0.14 0.00 -0.75 0.00 0.00 64.21 64.19 2k3u n SER 107 CO 0.00 0.00 0.00 -0.47 -1.23 0.00 0.00 175.04 173.34 2k3u s TYR 108 N -0.42 0.60 0.04 0.66 5.04 -1.21 -5.04 117.35 117.02 2k3u s TYR 108 Ca 0.00 -0.18 -0.15 0.00 -2.44 0.00 0.00 57.07 54.30 2k3u s TYR 108 Cb 0.00 -0.38 0.02 0.00 0.35 0.00 0.00 41.96 41.96 2k3u s TYR 108 CO 0.00 -0.02 0.34 0.14 -1.34 0.00 0.00 175.55 174.67 2k3u s VAL 109 N -0.36 0.07 -0.10 3.14 -7.23 -1.26 -0.72 120.40 113.94 2k3u s VAL 109 Ca 0.00 -0.61 -0.11 0.00 -1.81 0.00 0.00 61.98 59.45 2k3u s VAL 109 Cb -0.04 -0.94 0.03 0.00 0.56 0.00 0.00 36.38 35.99 2k3u s VAL 109 CO -0.00 -0.33 0.31 -0.63 -0.31 0.00 0.00 175.10 174.14 2k3u s ILE 110 N -2.51 0.01 0.22 -0.62 1.01 -0.46 -4.99 121.20 113.86 2k3u s ILE 110 Ca -0.05 -0.09 0.03 0.00 0.00 0.00 0.00 60.65 60.54 2k3u s ILE 110 Cb -0.01 -0.47 -0.03 0.00 0.01 0.00 0.00 42.46 41.96 2k3u s ILE 110 CO -0.03 -0.05 0.36 0.20 0.00 0.00 0.00 174.94 175.42 2k3u s ASN 111 N -0.10 6.33 0.08 3.58 -0.87 -1.26 -0.96 114.94 121.74 2k3u s ASN 111 Ca -0.02 0.17 0.01 0.00 -1.57 0.00 0.00 52.86 51.45 2k3u s ASN 111 Cb -0.03 -1.90 -0.01 0.00 -0.02 0.00 0.00 41.25 39.29 2k3u s ASN 111 CO 0.01 -0.05 0.05 0.61 -2.57 0.00 0.00 177.10 175.15 2k3u n GLY 112 N -1.12 3.82 1.04 0.66 0.00 -0.87 -4.94 105.19 103.78 2k3u n GLY 112 Ca -0.08 -1.80 0.00 0.00 0.00 0.00 0.00 46.02 44.14 2k3u n GLY 112 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2k3u n PRO 113 N -0.17 1.00 -4.26 1.61 -0.04 -1.05 -4.75 135.00 127.34 2k3u n PRO 113 Ca 0.01 0.00 -0.17 0.00 -0.04 0.00 0.00 63.50 63.30 2k3u n PRO 113 Cb 0.14 -1.00 -0.11 0.00 -0.04 0.00 0.00 33.50 32.49 2k3u n PRO 113 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 2k3u s GLY 114 N 1.09 1.14 0.00 0.55 0.00 -1.00 -4.89 107.32 104.21 2k3u s GLY 114 Ca 0.00 -1.41 0.00 0.00 0.00 0.00 0.00 44.72 43.31 2k3u s GLY 114 CO 0.00 -1.49 0.00 1.17 0.00 0.00 0.00 173.10 172.78 2k3u n LYS 115 N 0.18 2.91 -3.63 2.90 3.00 -1.26 -4.54 118.16 117.72 2k3u n LYS 115 Ca -0.13 0.00 -0.15 0.00 -0.00 0.00 0.00 58.31 58.03 2k3u n LYS 115 Cb 0.58 -0.69 -0.07 0.00 0.00 0.00 0.00 35.03 34.85 2k3u n LYS 115 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.40 177.32 2k3u s THR 116 N -1.00 0.01 0.29 3.15 -1.32 -1.26 -5.05 115.64 110.46 2k3u s THR 116 Ca 0.00 -0.04 0.09 0.00 -1.21 0.00 0.00 61.69 60.52 2k3u s THR 116 Cb 0.00 -0.88 0.01 0.00 -1.51 0.00 0.00 72.50 70.12 2k3u s THR 116 CO 0.00 -0.02 1.67 0.78 -2.21 0.00 0.00 174.62 174.84 2k3u h ASN 117 N 4.46 0.13 -0.62 8.08 4.21 -1.94 -3.35 115.58 126.54 2k3u h ASN 117 Ca -0.28 -0.06 -0.57 0.00 1.21 0.00 0.00 56.30 56.60 2k3u h ASN 117 Cb 1.16 -0.04 -0.06 0.00 -1.12 0.00 0.00 38.32 38.27 2k3u h ASN 117 CO 0.21 0.61 1.93 -0.62 -1.29 0.00 0.00 177.43 178.28 2k3u n GLU 118 N -3.95 2.59 -4.00 0.81 1.02 -1.26 -0.66 120.64 115.19 2k3u n GLU 118 Ca -0.02 -2.90 -0.26 0.00 -0.02 0.00 0.00 57.16 53.96 2k3u n GLU 118 Cb 0.53 -3.53 -0.03 0.00 -0.02 0.00 0.00 31.44 28.39 2k3u n GLU 118 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 2k3u n TYR 119 N 10.05 -1.61 -1.06 -0.32 4.01 -1.26 -3.25 117.16 123.71 2k3u n TYR 119 Ca 0.48 0.74 -0.07 0.00 -0.16 0.00 0.00 57.90 58.88 2k3u n TYR 119 Cb 0.45 -3.61 -0.03 0.00 -0.31 0.00 0.00 39.34 35.84 2k3u n TYR 119 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2k3u n ALA 120 N -4.42 -0.11 -1.73 -0.72 0.00 -1.26 -4.88 120.51 107.39 2k3u n ALA 120 Ca -0.30 0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.26 2k3u n ALA 120 Cb 0.68 -0.99 0.00 0.00 0.00 0.00 0.00 19.45 19.14 2k3u n ALA 120 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48