#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 -3.62 6.41 7.64 -1.26 -4.96 113.62 117.82 2k3u n SER 32 Ca 0.00 0.00 -0.00 0.00 1.01 0.00 0.00 58.87 59.88 2k3u n SER 32 Cb 0.00 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.19 2k3u n SER 32 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2k3u s GLY 33 N -0.50 -0.38 -0.08 0.23 0.00 -1.26 -5.19 107.32 100.14 2k3u s GLY 33 Ca 0.00 0.82 -0.09 0.00 0.00 0.00 0.00 44.72 45.45 2k3u s GLY 33 CO 0.00 0.19 0.24 1.08 0.00 0.00 0.00 173.10 174.62 2k3u s LEU 34 N -2.82 1.08 0.63 0.66 1.43 -1.26 -4.14 118.68 114.27 2k3u s LEU 34 Ca 0.13 0.39 0.39 0.00 -1.03 0.00 0.00 54.13 54.01 2k3u s LEU 34 Cb 0.03 0.87 2.15 0.00 0.03 0.00 0.00 46.19 49.27 2k3u s LEU 34 CO -0.04 -0.15 2.21 -0.65 0.23 0.00 0.00 176.35 177.95 2k3u h PRO 35 N 5.43 0.00 0.00 1.29 0.11 -1.97 -3.46 132.00 133.40 2k3u h PRO 35 Ca -0.27 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.84 2k3u h PRO 35 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 2k3u h PRO 35 CO 0.36 0.00 0.00 -2.37 -0.21 0.00 0.00 178.00 175.78 2k3u n THR 36 N -2.95 0.00 -3.95 -1.15 5.66 -1.26 -4.86 114.28 105.76 2k3u n THR 36 Ca -0.03 0.00 -0.13 0.00 -3.05 0.00 0.00 64.05 60.84 2k3u n THR 36 Cb 0.14 -0.10 -0.14 0.00 -1.55 0.00 0.00 70.33 68.68 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 -0.85 0.12 0.41 1.09 -4.23 -1.26 -3.56 115.64 107.36 2k3u s THR 37 Ca 0.00 -0.07 0.10 0.00 -1.18 0.00 0.00 61.69 60.54 2k3u s THR 37 Cb 0.00 -0.11 0.30 0.00 1.34 0.00 0.00 72.50 74.03 2k3u s THR 37 CO 0.00 0.03 2.00 0.25 -0.54 0.00 0.00 174.62 176.36 2k3u h LEU 38 N 6.10 0.46 -1.49 4.79 6.46 -1.61 -2.72 115.31 127.29 2k3u h LEU 38 Ca -0.25 0.00 0.29 0.00 -0.12 0.00 0.00 57.88 57.80 2k3u h LEU 38 Cb 1.20 -0.10 -0.09 0.00 -0.73 0.00 0.00 40.66 40.95 2k3u h LEU 38 CO 0.51 0.30 0.72 1.23 -0.62 0.00 0.00 178.44 180.57 2k3u h GLY 39 N 0.52 0.99 1.26 3.75 0.00 -1.54 0.26 103.07 108.30 2k3u h GLY 39 Ca 0.25 -0.16 -0.31 0.00 0.00 0.00 0.00 47.33 47.11 2k3u h GLY 39 CO -0.07 -0.13 -1.51 0.50 0.00 0.00 0.00 176.54 175.32 2k3u h LYS 40 N 0.29 0.31 -0.45 4.80 1.57 -1.76 -3.29 116.57 118.03 2k3u h LYS 40 Ca 0.61 -0.53 -0.14 0.00 -1.87 0.00 0.00 60.65 58.72 2k3u h LYS 40 Cb 1.73 0.20 -0.01 0.00 0.08 0.00 0.00 32.23 34.23 2k3u h LYS 40 CO -0.25 1.20 -0.26 1.25 -0.57 0.00 0.00 179.45 180.82 2k3u h LEU 41 N 0.08 1.00 -0.88 2.94 5.85 -1.30 -2.82 115.31 120.18 2k3u h LEU 41 Ca -0.24 -0.40 0.12 0.00 0.84 0.00 0.00 57.88 58.20 2k3u h LEU 41 Cb 2.04 -0.28 -0.08 0.00 0.37 0.00 0.00 40.66 42.71 2k3u h LEU 41 CO 0.18 1.19 0.51 -0.78 -0.34 0.00 0.00 178.44 179.21 2k3u h ASP 42 N 0.82 0.71 0.45 1.25 1.82 -1.14 0.26 116.42 120.60 2k3u h ASP 42 Ca 0.10 0.06 -0.07 0.00 -0.39 0.00 0.00 57.03 56.73 2k3u h ASP 42 Cb 0.84 -0.07 -0.01 0.00 0.68 0.00 0.00 39.33 40.76 2k3u h ASP 42 CO 0.07 0.37 -0.34 -0.08 -1.61 0.00 0.00 179.24 177.65 2k3u h GLU 43 N 0.81 0.00 0.25 0.28 4.81 -1.58 -0.75 114.58 118.39 2k3u h GLU 43 Ca 0.45 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.66 2k3u h GLU 43 Cb 0.48 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.87 2k3u h GLU 43 CO -0.28 0.34 -0.12 -0.09 -0.73 0.00 0.00 179.01 178.13 2k3u h ARG 44 N 0.00 -0.32 -0.58 1.92 2.43 -1.10 -3.34 114.38 113.38 2k3u h ARG 44 Ca -0.00 0.02 -0.11 0.00 -0.81 0.00 0.00 59.98 59.08 2k3u h ARG 44 Cb 0.66 0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 30.26 2k3u h ARG 44 CO 0.04 0.02 -0.05 -0.07 -1.51 0.00 0.00 179.97 178.41 2k3u h LEU 45 N -0.92 1.04 -1.34 3.80 3.38 -0.65 0.37 115.31 120.99 2k3u h LEU 45 Ca -0.03 -0.32 -0.04 0.00 0.09 0.00 0.00 57.88 57.58 2k3u h LEU 45 Cb 0.50 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 2k3u h LEU 45 CO 0.06 1.12 0.03 0.03 0.09 0.00 0.00 178.44 179.77 2k3u h ARG 46 N 0.95 0.47 -0.12 1.13 3.08 -1.36 -0.96 114.38 117.57 2k3u h ARG 46 Ca 0.16 -0.08 -0.23 0.00 0.07 0.00 0.00 59.98 59.89 2k3u h ARG 46 Cb 0.62 -0.08 0.01 0.00 0.08 0.00 0.00 29.97 30.60 2k3u h ARG 46 CO 0.04 0.48 -0.84 -0.91 -1.07 0.00 0.00 179.97 177.66 2k3u h ASN 47 N 0.46 0.92 -0.13 7.04 2.35 -1.54 -3.07 115.58 121.61 2k3u h ASN 47 Ca 0.10 -0.64 -0.00 0.00 -0.55 0.00 0.00 56.30 55.22 2k3u h ASN 47 Cb 0.25 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 38.34 2k3u h ASN 47 CO 0.00 1.44 0.08 1.88 -1.65 0.00 0.00 177.43 179.18 2k3u h TYR 48 N 0.50 0.18 -0.16 1.19 -1.99 -0.45 -0.18 116.97 116.06 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 1.48 -0.06 -0.01 0.00 2.00 0.00 0.00 36.73 40.14 2k3u h TYR 48 CO 0.09 0.12 0.09 1.25 -0.00 0.00 0.00 178.16 179.70 2k3u h LEU 49 N 0.19 0.19 -0.81 3.88 6.46 -1.14 -0.13 115.31 123.95 2k3u h LEU 49 Ca 0.05 -0.07 -0.08 0.00 -0.12 0.00 0.00 57.88 57.66 2k3u h LEU 49 Cb -0.01 -0.05 -0.02 0.00 -0.73 0.00 0.00 40.66 39.85 2k3u h LEU 49 CO -0.01 0.21 0.02 0.11 -0.62 0.00 0.00 178.44 178.15 2k3u h LYS 50 N 0.16 0.91 0.00 1.25 1.57 -1.31 -2.20 116.57 116.95 2k3u h LYS 50 Ca 0.05 -0.26 -0.15 0.00 -1.87 0.00 0.00 60.65 58.43 2k3u h LYS 50 Cb 0.06 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.24 2k3u h LYS 50 CO -0.01 0.89 -0.73 0.87 -0.57 0.00 0.00 179.45 179.91 2k3u h LYS 51 N 0.85 0.00 0.00 3.15 1.57 -0.97 -3.37 116.57 117.79 2k3u h LYS 51 Ca 0.16 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.94 2k3u h LYS 51 Cb 0.48 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.79 2k3u h LYS 51 CO 0.02 0.73 -0.87 0.41 -0.57 0.00 0.00 179.45 179.18 2k3u n GLY 52 N 0.69 -0.17 3.98 3.86 0.00 -0.07 -4.99 105.19 108.50 2k3u n GLY 52 Ca -0.00 -0.28 -0.19 0.00 0.00 0.00 0.00 46.02 45.55 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 -2.27 3.91 0.18 2.61 -4.23 -0.83 -5.03 115.64 109.98 2k3u s THR 53 Ca 0.01 -1.03 -0.04 0.00 -1.18 0.00 0.00 61.69 59.45 2k3u s THR 53 Cb 0.07 -3.35 -0.07 0.00 1.34 0.00 0.00 72.50 70.50 2k3u s THR 53 CO 0.43 -0.14 1.48 0.11 -0.54 0.00 0.00 174.62 175.96 2k3u h LYS 54 N 0.90 0.58 -2.50 3.99 1.57 -1.88 -3.45 116.57 115.78 2k3u h LYS 54 Ca -0.45 -0.38 -0.18 0.00 -1.87 0.00 0.00 60.65 57.77 2k3u h LYS 54 Cb 1.26 0.05 -0.31 0.00 0.08 0.00 0.00 32.23 33.31 2k3u h LYS 54 CO 0.52 0.99 -0.49 1.21 -0.57 0.00 0.00 179.45 181.12 2k3u s ASN 55 N -6.94 0.31 0.48 0.86 2.47 -1.26 -5.05 114.94 105.81 2k3u s ASN 55 Ca -0.08 0.50 0.27 0.00 0.42 0.00 0.00 52.86 53.98 2k3u s ASN 55 Cb 0.11 0.92 0.75 0.00 -1.45 0.00 0.00 41.25 41.58 2k3u s ASN 55 CO 0.85 -0.26 1.76 -1.28 -3.72 0.00 0.00 177.10 174.44 2k3u h SER 56 N 8.24 0.00 0.60 -4.21 0.87 -1.86 -3.37 113.55 113.81 2k3u h SER 56 Ca -0.16 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.40 2k3u h SER 56 Cb 1.13 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.09 2k3u h SER 56 CO 0.18 0.02 0.00 0.00 -0.53 0.00 0.00 176.83 176.50 2k3u n ALA 57 N -2.10 1.68 0.81 6.23 0.00 -1.26 -2.21 120.51 123.65 2k3u n ALA 57 Ca 0.02 -0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.60 2k3u n ALA 57 Cb 0.45 -1.29 0.48 0.00 0.00 0.00 0.00 19.45 19.08 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 -1.77 0.13 -3.08 0.00 10.64 -1.26 -4.92 117.38 117.13 2k3u n GLN 58 Ca 0.03 0.10 -0.35 0.00 -1.83 0.00 0.00 57.00 54.95 2k3u n GLN 58 Cb 0.20 -1.65 -0.06 0.00 -0.86 0.00 0.00 30.24 27.87 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 -3.05 3.56 0.00 2.61 0.08 -0.94 -1.04 117.98 119.20 2k3u s PHE 59 Ca 0.12 1.38 0.00 0.00 0.12 0.00 0.00 56.93 58.55 2k3u s PHE 59 Cb 0.16 -2.62 0.00 0.00 -0.57 0.00 0.00 43.02 39.98 2k3u s PHE 59 CO 0.58 0.25 0.00 -1.91 -0.10 0.00 0.00 175.22 174.04 2k3u n GLU 60 N 0.37 2.39 -3.97 0.44 2.13 -0.21 -4.73 120.64 117.05 2k3u n GLU 60 Ca -0.00 0.00 -0.09 0.00 0.66 0.00 0.00 57.16 57.73 2k3u n GLU 60 Cb 0.52 -0.80 -0.04 0.00 0.27 0.00 0.00 31.44 31.39 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 -1.49 1.68 0.06 5.31 -2.85 -1.18 -0.39 119.74 120.88 2k3u s LYS 61 Ca 0.00 -1.28 -0.09 0.00 -1.00 0.00 0.00 55.97 53.60 2k3u s LYS 61 Cb 0.00 0.50 0.00 0.00 -2.06 0.00 0.00 37.83 36.27 2k3u s LYS 61 CO 0.00 -0.72 0.20 0.00 0.10 0.00 0.00 175.35 174.93 2k3u s MET 62 N -3.76 0.76 -0.06 1.78 0.23 0.08 -1.94 119.30 116.39 2k3u s MET 62 Ca 0.21 -0.76 -0.09 0.00 -1.03 0.00 0.00 55.69 54.02 2k3u s MET 62 Cb -0.02 0.31 0.02 0.00 -1.53 0.00 0.00 34.83 33.61 2k3u s MET 62 CO 0.10 -0.23 0.22 0.54 -2.03 0.00 0.00 175.02 173.62 2k3u s VAL 63 N -3.11 0.02 -0.08 5.16 0.11 0.06 -0.77 120.40 121.80 2k3u s VAL 63 Ca -0.01 -0.20 0.02 0.00 -2.93 0.00 0.00 61.98 58.86 2k3u s VAL 63 Cb 0.01 -0.39 0.01 0.00 -1.53 0.00 0.00 36.38 34.49 2k3u s VAL 63 CO -0.07 -0.11 -0.12 -0.63 -3.33 0.00 0.00 175.10 170.84 2k3u s ILE 64 N -0.36 1.16 -0.12 7.04 1.01 0.16 -0.59 121.20 129.50 2k3u s ILE 64 Ca -0.05 -0.47 0.02 0.00 0.00 0.00 0.00 60.65 60.15 2k3u s ILE 64 Cb -0.03 -1.08 0.00 0.00 0.01 0.00 0.00 42.46 41.36 2k3u s ILE 64 CO 0.01 0.37 -0.21 -0.76 0.00 0.00 0.00 174.94 174.35 2k3u s LEU 65 N 0.83 2.25 0.48 2.97 1.43 -0.33 -2.00 118.68 124.30 2k3u s LEU 65 Ca -0.11 -0.52 0.03 0.00 -1.03 0.00 0.00 54.13 52.50 2k3u s LEU 65 Cb -0.15 -1.47 -0.03 0.00 0.03 0.00 0.00 46.19 44.56 2k3u s LEU 65 CO 0.02 0.13 0.04 0.42 0.23 0.00 0.00 176.35 177.18 2k3u s THR 66 N 0.54 1.48 1.02 5.49 -4.23 -0.90 -1.57 115.64 117.48 2k3u s THR 66 Ca -0.13 -1.96 -0.15 0.00 -1.18 0.00 0.00 61.69 58.28 2k3u s THR 66 Cb -0.17 -2.44 0.07 0.00 1.34 0.00 0.00 72.50 71.31 2k3u s THR 66 CO 0.04 0.00 0.28 -0.62 -0.54 0.00 0.00 174.62 173.78 2k3u n GLU 67 N -1.21 -0.88 -2.65 3.99 1.02 -0.98 -3.63 120.64 116.30 2k3u n GLU 67 Ca -0.13 -0.23 -0.20 0.00 -0.02 0.00 0.00 57.16 56.58 2k3u n GLU 67 Cb 0.67 -1.81 0.00 0.00 -0.02 0.00 0.00 31.44 30.28 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 -1.62 -5.48 -2.28 1.62 3.02 -0.64 -3.29 115.26 106.59 2k3u n ASN 68 Ca 0.04 -0.08 -0.16 0.00 -0.03 0.00 0.00 54.58 54.35 2k3u n ASN 68 Cb 0.57 -4.53 -0.02 0.00 -0.61 0.00 0.00 39.78 35.20 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 -3.32 -1.89 -2.20 3.52 5.02 0.33 -4.91 118.16 114.72 2k3u n LYS 69 Ca -0.18 0.81 -0.40 0.00 -2.02 0.00 0.00 58.31 56.52 2k3u n LYS 69 Cb 0.65 -5.39 -0.02 0.00 -0.02 0.00 0.00 35.03 30.24 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 -2.09 3.01 -0.03 0.72 0.00 -1.21 -4.92 107.32 102.80 2k3u s GLY 70 Ca 0.00 1.17 0.00 0.00 0.00 0.00 0.00 44.72 45.90 2k3u s GLY 70 CO 0.00 1.80 0.00 -0.47 0.00 0.00 0.00 173.10 174.43 2k3u s TYR 71 N -1.16 0.30 -0.03 1.90 6.14 -1.26 -2.13 117.35 121.11 2k3u s TYR 71 Ca 0.49 0.01 -0.04 0.00 0.64 0.00 0.00 57.07 58.16 2k3u s TYR 71 Cb -0.38 -0.39 0.01 0.00 0.42 0.00 0.00 41.96 41.62 2k3u s TYR 71 CO 0.50 -0.12 0.11 0.71 0.64 0.00 0.00 175.55 177.38 2k3u s TYR 72 N 0.99 -0.06 0.01 4.97 1.51 -0.85 -4.99 117.35 118.93 2k3u s TYR 72 Ca -0.10 0.16 0.03 0.00 -1.01 0.00 0.00 57.07 56.15 2k3u s TYR 72 Cb -0.13 0.01 -0.01 0.00 -0.11 0.00 0.00 41.96 41.71 2k3u s TYR 72 CO -0.02 -0.11 -0.10 -0.08 -1.11 0.00 0.00 175.55 174.13 2k3u s THR 73 N -0.31 0.78 -0.09 -0.71 -1.32 -1.26 -0.67 115.64 112.06 2k3u s THR 73 Ca -0.04 -0.60 -0.04 0.00 -1.21 0.00 0.00 61.69 59.81 2k3u s THR 73 Cb -0.03 -0.69 0.05 0.00 -1.51 0.00 0.00 72.50 70.32 2k3u s THR 73 CO 0.00 0.09 0.18 -0.69 -2.21 0.00 0.00 174.62 171.99 2k3u s VAL 74 N -0.49 -0.20 0.28 5.08 1.01 0.05 -5.00 120.40 121.14 2k3u s VAL 74 Ca 0.02 0.28 -0.29 0.00 0.00 0.00 0.00 61.98 61.98 2k3u s VAL 74 Cb -0.05 -0.31 -0.09 0.00 0.00 0.00 0.00 36.38 35.93 2k3u s VAL 74 CO 0.00 0.11 1.07 -0.31 0.00 0.00 0.00 175.10 175.98 2k3u s TYR 75 N 1.89 3.62 -2.73 5.22 2.02 -1.26 -0.74 117.35 125.37 2k3u s TYR 75 Ca -0.02 1.73 0.26 0.00 -0.37 0.00 0.00 57.07 58.67 2k3u s TYR 75 Cb -0.12 -3.23 0.61 0.00 -0.40 0.00 0.00 41.96 38.82 2k3u s TYR 75 CO -0.06 -0.40 1.49 1.28 -1.57 0.00 0.00 175.55 176.29 2k3u n LEU 76 N 1.16 2.29 0.23 -1.29 4.77 0.48 -4.03 117.00 120.62 2k3u n LEU 76 Ca -0.01 -0.78 0.16 0.00 -0.03 0.00 0.00 56.01 55.35 2k3u n LEU 76 Cb 0.45 -0.01 0.74 0.00 -2.33 0.00 0.00 43.42 42.27 2k3u n LEU 76 CO 0.53 0.39 0.98 0.78 -1.33 0.00 0.00 177.39 178.74 2k3u h ASN 77 N 3.55 0.00 -5.03 -1.43 2.35 -1.86 -3.46 115.58 109.70 2k3u h ASN 77 Ca 0.00 0.00 -0.09 0.00 -0.55 0.00 0.00 56.30 55.66 2k3u h ASN 77 Cb 0.76 0.00 -0.17 0.00 0.05 0.00 0.00 38.32 38.95 2k3u h ASN 77 CO 0.00 0.00 -0.15 0.28 -1.65 0.00 0.00 177.43 175.91 2k3u s THR 78 N -3.67 0.06 0.68 2.81 -1.32 -1.26 -5.17 115.64 107.77 2k3u s THR 78 Ca -0.00 -0.50 -0.16 0.00 -1.21 0.00 0.00 61.69 59.82 2k3u s THR 78 Cb 0.09 -0.90 0.01 0.00 -1.51 0.00 0.00 72.50 70.19 2k3u s THR 78 CO 0.42 -0.27 1.19 -2.16 -2.21 0.00 0.00 174.62 171.58 2k3u s PRO 79 N -2.27 2.50 0.21 7.08 0.04 -1.26 -4.85 135.00 136.45 2k3u s PRO 79 Ca -0.07 1.72 -0.32 0.00 0.04 0.00 0.00 61.00 62.38 2k3u s PRO 79 Cb -0.01 -1.88 -0.14 0.00 0.04 0.00 0.00 34.50 32.50 2k3u s PRO 79 CO -0.01 -1.55 1.30 -0.11 0.04 0.00 0.00 177.00 176.67 2k3u n LEU 80 N -2.33 2.44 -4.76 -3.56 7.94 -1.26 -4.97 117.00 110.50 2k3u n LEU 80 Ca 0.13 1.14 -0.35 0.00 -1.11 0.00 0.00 56.01 55.82 2k3u n LEU 80 Cb 0.50 -1.34 0.02 0.00 0.53 0.00 0.00 43.42 43.14 2k3u n LEU 80 CO 0.47 -0.83 0.80 0.00 -1.11 0.00 0.00 177.39 176.72 2k3u s ALA 81 N -0.11 2.59 0.29 1.96 0.00 -1.26 -4.74 121.76 120.50 2k3u s ALA 81 Ca 0.70 0.87 0.02 0.00 0.00 0.00 0.00 51.96 53.55 2k3u s ALA 81 Cb -0.73 -3.40 0.46 0.00 0.00 0.00 0.00 23.12 19.45 2k3u s ALA 81 CO 0.51 -1.02 1.80 0.93 0.00 0.00 0.00 175.76 177.98 2k3u h GLU 82 N 0.90 0.62 0.00 0.00 3.07 -1.98 0.21 114.58 117.39 2k3u h GLU 82 Ca -0.50 -0.16 0.00 0.00 -0.50 0.00 0.00 59.36 58.20 2k3u h GLU 82 Cb 1.28 -0.07 0.00 0.00 -0.84 0.00 0.00 28.75 29.11 2k3u h GLU 82 CO 0.56 0.68 0.00 -0.25 -1.40 0.00 0.00 179.01 178.59 2k3u n ASP 83 N -4.22 0.00 -0.03 1.42 8.00 -1.26 -2.57 116.55 117.89 2k3u n ASP 83 Ca 0.01 0.50 -0.01 0.00 0.71 0.00 0.00 54.79 56.01 2k3u n ASP 83 Cb 0.30 -0.50 -0.08 0.00 -0.02 0.00 0.00 41.12 40.81 2k3u n ASP 83 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2k3u n ARG 84 N -1.50 1.46 0.14 -1.24 1.74 -0.22 -3.51 116.66 113.52 2k3u n ARG 84 Ca 0.03 -0.05 0.19 0.00 -0.77 0.00 0.00 57.85 57.25 2k3u n ARG 84 Cb 0.16 -1.27 0.78 0.00 -1.02 0.00 0.00 32.46 31.11 2k3u n ARG 84 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 2k3u h LYS 85 N 0.00 0.00 -0.23 5.56 1.57 -0.50 -2.86 116.57 120.11 2k3u h LYS 85 Ca -0.16 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.62 2k3u h LYS 85 Cb 1.16 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.47 2k3u h LYS 85 CO 0.01 0.00 0.00 0.09 -0.57 0.00 0.00 179.45 178.98 2k3u n ASN 86 N -3.82 2.56 -4.78 0.86 3.02 -1.06 -3.30 115.26 108.74 2k3u n ASN 86 Ca 0.05 -1.89 -0.39 0.00 -0.03 0.00 0.00 54.58 52.32 2k3u n ASN 86 Cb 0.48 -0.15 -0.06 0.00 -0.61 0.00 0.00 39.78 39.43 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 -0.95 4.39 0.77 2.41 0.11 -1.08 -4.94 120.40 121.09 2k3u s VAL 87 Ca 0.17 1.68 -0.15 0.00 -2.93 0.00 0.00 61.98 60.75 2k3u s VAL 87 Cb 0.09 -4.13 0.06 0.00 -1.53 0.00 0.00 36.38 30.87 2k3u s VAL 87 CO 0.12 0.53 1.24 -1.61 -3.33 0.00 0.00 175.10 172.04 2k3u s GLU 88 N -1.14 1.86 -0.14 1.54 2.02 -1.26 -2.40 118.70 119.17 2k3u s GLU 88 Ca 0.35 1.86 -0.01 0.00 0.02 0.00 0.00 54.97 57.19 2k3u s GLU 88 Cb -0.23 -1.79 -0.02 0.00 0.10 0.00 0.00 34.13 32.20 2k3u s GLU 88 CO 0.26 -2.07 -0.11 -0.51 0.02 0.00 0.00 175.26 172.85 2k3u s LEU 89 N -5.35 2.82 0.23 1.80 1.43 -1.23 -4.77 118.68 113.61 2k3u s LEU 89 Ca 0.76 -0.30 0.06 0.00 -1.03 0.00 0.00 54.13 53.62 2k3u s LEU 89 Cb -0.32 -1.65 0.23 0.00 0.03 0.00 0.00 46.19 44.49 2k3u s LEU 89 CO 0.48 0.15 1.54 -0.07 0.23 0.00 0.00 176.35 178.68 2k3u h LEU 90 N 6.81 0.19 -8.00 1.79 3.38 -1.93 -3.46 115.31 114.08 2k3u h LEU 90 Ca -0.28 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.58 2k3u h LEU 90 Cb 1.20 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.89 2k3u h LEU 90 CO 0.57 0.79 0.27 -0.83 0.09 0.00 0.00 178.44 179.33 2k3u s GLY 91 N -4.40 0.26 0.77 0.83 0.00 -1.21 -4.60 107.32 98.96 2k3u s GLY 91 Ca -0.03 -0.65 -0.12 0.00 0.00 0.00 0.00 44.72 43.92 2k3u s GLY 91 CO 0.79 -0.23 1.13 1.25 0.00 0.00 0.00 173.10 176.05 2k3u s LYS 92 N -2.66 2.10 -0.82 2.90 2.47 -1.26 -4.53 119.74 117.93 2k3u s LYS 92 Ca 0.15 1.42 -0.13 0.00 -1.56 0.00 0.00 55.97 55.85 2k3u s LYS 92 Cb -0.05 -1.86 -0.10 0.00 -1.46 0.00 0.00 37.83 34.36 2k3u s LYS 92 CO 0.10 -1.80 1.99 -0.12 0.16 0.00 0.00 175.35 175.69 2k3u n MET 93 N -3.25 1.76 -0.26 4.03 0.00 -0.79 -2.32 117.12 116.29 2k3u n MET 93 Ca 0.11 -1.60 -0.03 0.00 0.00 0.00 0.00 57.70 56.19 2k3u n MET 93 Cb 0.52 -2.64 0.15 0.00 0.00 0.00 0.00 33.22 31.25 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 7.06 1.10 -2.76 1.12 3.20 -1.32 -2.93 116.97 122.43 2k3u h TYR 94 Ca 0.45 -0.03 -0.08 0.00 3.14 0.00 0.00 58.73 62.20 2k3u h TYR 94 Cb 0.38 -0.35 -0.18 0.00 1.54 0.00 0.00 36.73 38.12 2k3u h TYR 94 CO 1.65 0.77 -0.06 0.21 -1.64 0.00 0.00 178.16 179.09 2k3u s LYS 95 N -5.70 0.90 -0.02 1.82 2.47 -0.61 -1.82 119.74 116.78 2k3u s LYS 95 Ca -0.12 -0.16 -0.05 0.00 -1.56 0.00 0.00 55.97 54.09 2k3u s LYS 95 Cb 0.17 0.41 0.00 0.00 -1.46 0.00 0.00 37.83 36.95 2k3u s LYS 95 CO 0.81 -0.29 0.11 0.99 0.16 0.00 0.00 175.35 177.13 2k3u s THR 96 N -1.88 0.04 0.15 3.43 2.01 -0.43 -1.18 115.64 117.78 2k3u s THR 96 Ca -0.09 -0.31 0.09 0.00 0.31 0.00 0.00 61.69 61.69 2k3u s THR 96 Cb -0.02 -0.26 -0.04 0.00 0.01 0.00 0.00 72.50 72.19 2k3u s THR 96 CO 0.02 -0.17 -0.20 -0.31 -0.69 0.00 0.00 174.62 173.27 2k3u s TYR 97 N -0.55 1.89 0.00 4.92 2.02 0.24 -1.02 117.35 124.86 2k3u s TYR 97 Ca -0.06 -0.44 -0.05 0.00 -0.37 0.00 0.00 57.07 56.15 2k3u s TYR 97 Cb -0.04 -0.96 -0.00 0.00 -0.40 0.00 0.00 41.96 40.55 2k3u s TYR 97 CO 0.00 0.33 0.09 -0.06 -1.57 0.00 0.00 175.55 174.34 2k3u s PHE 98 N -1.78 0.09 -0.03 2.71 0.40 0.68 -0.77 117.98 119.29 2k3u s PHE 98 Ca 0.14 -0.21 0.01 0.00 -0.60 0.00 0.00 56.93 56.27 2k3u s PHE 98 Cb -0.07 -0.08 0.02 0.00 0.51 0.00 0.00 43.02 43.40 2k3u s PHE 98 CO 0.06 -0.24 -0.02 -0.06 0.70 0.00 0.00 175.22 175.67 2k3u s PHE 99 N -1.28 0.46 1.01 0.36 0.40 -0.82 -1.00 117.98 117.11 2k3u s PHE 99 Ca -0.14 -0.07 -0.13 0.00 -0.60 0.00 0.00 56.93 56.00 2k3u s PHE 99 Cb -0.08 -0.47 0.20 0.00 0.51 0.00 0.00 43.02 43.17 2k3u s PHE 99 CO 0.01 -0.14 1.10 0.15 0.70 0.00 0.00 175.22 177.04 2k3u s LYS 100 N 0.89 0.31 -0.06 0.44 1.02 -1.26 -1.05 119.74 120.03 2k3u s LYS 100 Ca -0.10 0.46 -0.36 0.00 0.02 0.00 0.00 55.97 56.00 2k3u s LYS 100 Cb -0.13 -1.73 -0.13 0.00 -0.52 0.00 0.00 37.83 35.32 2k3u s LYS 100 CO -0.01 -2.80 1.74 0.36 -0.92 0.00 0.00 175.35 173.73 2k3u n LYS 101 N -4.21 1.88 -2.16 1.68 2.85 -0.21 -2.86 118.16 115.12 2k3u n LYS 101 Ca 0.05 0.69 0.00 0.00 -1.05 0.00 0.00 58.31 58.00 2k3u n LYS 101 Cb 0.58 -2.47 0.00 0.00 -0.65 0.00 0.00 35.03 32.49 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 3.99 0.82 3.27 2.58 0.00 -1.26 -5.05 105.19 109.54 2k3u n GLY 102 Ca 0.22 -0.69 -0.16 0.00 0.00 0.00 0.00 46.02 45.39 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 -4.34 1.11 0.00 1.61 2.02 -1.14 -5.06 118.70 112.90 2k3u s GLU 103 Ca 0.00 -1.45 0.00 0.00 0.02 0.00 0.00 54.97 53.54 2k3u s GLU 103 Cb 0.00 -0.77 0.00 0.00 0.10 0.00 0.00 34.13 33.46 2k3u s GLU 103 CO 0.00 0.11 0.57 -1.13 0.02 0.00 0.00 175.26 174.83 2k3u n SER 104 N -0.12 0.00 -3.85 -0.19 3.41 -1.26 -4.93 113.62 106.69 2k3u n SER 104 Ca -0.11 -1.28 -0.13 0.00 -0.26 0.00 0.00 58.87 57.10 2k3u n SER 104 Cb 0.60 -0.06 -0.14 0.00 -0.26 0.00 0.00 64.21 64.35 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 0.02 0.97 4.33 2.20 -1.26 -5.16 119.74 120.84 2k3u s LYS 105 Ca 0.00 0.07 -0.11 0.00 -0.36 0.00 0.00 55.97 55.57 2k3u s LYS 105 Cb 0.00 -0.03 0.15 0.00 -1.51 0.00 0.00 37.83 36.44 2k3u s LYS 105 CO 0.00 -0.03 0.98 -1.13 -0.36 0.00 0.00 175.35 174.81 2k3u n SER 106 N 3.25 -0.42 0.00 1.43 3.41 -1.26 -4.89 113.62 115.14 2k3u n SER 106 Ca -0.15 0.31 0.00 0.00 -0.26 0.00 0.00 58.87 58.77 2k3u n SER 106 Cb 0.58 -1.39 0.00 0.00 -0.26 0.00 0.00 64.21 63.14 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 -3.81 3.80 -3.89 4.04 2.88 -0.17 -4.99 113.62 111.48 2k3u n SER 107 Ca 0.10 -0.04 -0.11 0.00 -1.33 0.00 0.00 58.87 57.49 2k3u n SER 107 Cb 0.53 0.84 -0.12 0.00 -0.75 0.00 0.00 64.21 64.71 2k3u n SER 107 CO 0.00 0.00 0.00 -0.47 -1.23 0.00 0.00 175.04 173.34 2k3u s TYR 108 N -1.60 0.05 0.06 0.66 5.04 -1.12 -5.03 117.35 115.41 2k3u s TYR 108 Ca 0.00 -0.10 -0.16 0.00 -2.44 0.00 0.00 57.07 54.37 2k3u s TYR 108 Cb 0.00 -0.06 0.03 0.00 0.35 0.00 0.00 41.96 42.28 2k3u s TYR 108 CO 0.00 -0.15 0.36 0.54 -1.34 0.00 0.00 175.55 174.96 2k3u s VAL 109 N -0.79 0.07 -0.06 3.14 0.11 -1.26 -0.23 120.40 121.39 2k3u s VAL 109 Ca -0.09 -0.59 0.01 0.00 -2.93 0.00 0.00 61.98 58.38 2k3u s VAL 109 Cb -0.05 -1.00 0.02 0.00 -1.53 0.00 0.00 36.38 33.82 2k3u s VAL 109 CO 0.00 -0.33 -0.05 -0.63 -3.33 0.00 0.00 175.10 170.76 2k3u s ILE 110 N -2.79 0.64 0.03 7.04 1.01 -0.19 -4.99 121.20 121.96 2k3u s ILE 110 Ca -0.03 -0.16 -0.17 0.00 0.00 0.00 0.00 60.65 60.29 2k3u s ILE 110 Cb -0.00 -0.67 -0.06 0.00 0.01 0.00 0.00 42.46 41.74 2k3u s ILE 110 CO -0.05 0.26 0.49 0.20 0.00 0.00 0.00 174.94 175.84 2k3u s ASN 111 N 1.07 6.93 0.33 3.58 0.01 -1.26 -1.32 114.94 124.29 2k3u s ASN 111 Ca -0.08 1.11 -0.08 0.00 -0.71 0.00 0.00 52.86 53.09 2k3u s ASN 111 Cb -0.14 -2.31 0.03 0.00 0.41 0.00 0.00 41.25 39.25 2k3u s ASN 111 CO -0.01 0.29 0.58 0.61 -1.51 0.00 0.00 177.10 177.06 2k3u n GLY 112 N 1.83 1.59 3.73 0.66 0.00 -0.76 -4.96 105.19 107.28 2k3u n GLY 112 Ca -0.12 -1.39 -0.42 0.00 0.00 0.00 0.00 46.02 44.10 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 -2.36 4.41 0.00 1.61 0.04 -1.11 -4.28 135.00 133.32 2k3u s PRO 113 Ca 0.19 1.96 0.00 0.00 0.04 0.00 0.00 61.00 63.19 2k3u s PRO 113 Cb -0.03 -3.24 0.00 0.00 0.04 0.00 0.00 34.50 31.27 2k3u s PRO 113 CO 0.14 -0.24 0.00 0.41 0.04 0.00 0.00 177.00 177.35 2k3u n GLY 114 N 2.67 0.00 4.86 0.56 0.00 -1.26 -1.88 105.19 110.14 2k3u n GLY 114 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 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 0.00 0.00 -3.60 1.61 3.00 -1.26 -4.72 118.16 113.19 2k3u n LYS 115 Ca 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 58.31 58.27 2k3u n LYS 115 Cb 0.00 -2.77 -0.02 0.00 0.00 0.00 0.00 35.03 32.24 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 -0.10 0.00 -0.22 3.15 -1.32 -1.26 -5.03 115.64 110.86 2k3u s THR 116 Ca 0.00 0.00 0.17 0.00 -1.21 0.00 0.00 61.69 60.65 2k3u s THR 116 Cb 0.00 -1.00 0.10 0.00 -1.51 0.00 0.00 72.50 70.09 2k3u s THR 116 CO 0.00 0.00 1.39 0.78 -2.21 0.00 0.00 174.62 174.58 2k3u h ASN 117 N 2.01 0.00 -0.33 8.08 4.21 -1.86 -3.34 115.58 124.35 2k3u h ASN 117 Ca -0.09 0.00 -0.19 0.00 1.21 0.00 0.00 56.30 57.23 2k3u h ASN 117 Cb 1.16 0.00 -0.10 0.00 -1.12 0.00 0.00 38.32 38.26 2k3u h ASN 117 CO 0.23 0.37 0.25 -0.62 -1.29 0.00 0.00 177.43 176.37 2k3u n GLU 118 N -3.13 1.48 -1.42 0.81 1.02 -1.26 -0.51 120.64 117.62 2k3u n GLU 118 Ca 0.01 -1.04 0.00 0.00 -0.02 0.00 0.00 57.16 56.11 2k3u n GLU 118 Cb 0.69 -1.41 0.00 0.00 -0.02 0.00 0.00 31.44 30.70 2k3u n GLU 118 CO 0.00 0.00 0.00 2.48 1.18 0.00 0.00 177.13 180.79 2k3u n TYR 119 N 0.27 -3.93 -3.03 -0.32 0.18 -1.26 -4.89 117.16 104.17 2k3u n TYR 119 Ca 0.20 2.10 -0.24 0.00 1.88 0.00 0.00 57.90 61.84 2k3u n TYR 119 Cb 0.75 -3.26 -0.04 0.00 -0.38 0.00 0.00 39.34 36.41 2k3u n TYR 119 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 2k3u n ALA 120 N -1.09 3.75 -1.51 -3.48 0.00 -1.26 -4.88 120.51 112.03 2k3u n ALA 120 Ca 0.00 -4.25 0.00 0.00 0.00 0.00 0.00 53.44 49.19 2k3u n ALA 120 Cb 0.05 -0.80 0.00 0.00 0.00 0.00 0.00 19.45 18.70 2k3u n ALA 120 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48