#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 -5.18 113.62 116.47 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 0.00 -0.13 3.16 0.46 0.00 -1.26 -5.11 105.19 102.31 2k3u n GLY 33 Ca 0.00 -1.57 -0.18 0.00 0.00 0.00 0.00 46.02 44.28 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 2.27 -0.00 0.99 1.43 -1.26 -5.13 118.68 116.98 2k3u s LEU 34 Ca 0.00 -0.61 -0.30 0.00 -1.03 0.00 0.00 54.13 52.19 2k3u s LEU 34 Cb 0.00 -0.48 -0.04 0.00 0.03 0.00 0.00 46.19 45.70 2k3u s LEU 34 CO 0.00 -0.09 1.16 -2.16 0.23 0.00 0.00 176.35 175.49 2k3u s PRO 35 N -1.72 4.42 0.00 1.29 0.04 -1.26 -4.85 135.00 132.92 2k3u s PRO 35 Ca -0.03 1.67 0.16 0.00 0.04 0.00 0.00 61.00 62.83 2k3u s PRO 35 Cb -0.10 -3.46 0.26 0.00 0.04 0.00 0.00 34.50 31.24 2k3u s PRO 35 CO 0.02 -0.31 1.10 -2.37 0.04 0.00 0.00 177.00 175.48 2k3u n THR 36 N 4.23 0.00 -4.08 1.26 5.66 -1.26 -5.06 114.28 115.02 2k3u n THR 36 Ca 0.09 -0.60 -0.14 0.00 -3.05 0.00 0.00 64.05 60.35 2k3u n THR 36 Cb 0.47 0.80 -0.13 0.00 -1.55 0.00 0.00 70.33 69.91 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 0.39 0.31 1.09 -4.23 -1.26 -0.70 115.64 111.24 2k3u s THR 37 Ca 0.20 -0.52 0.03 0.00 -1.18 0.00 0.00 61.69 60.22 2k3u s THR 37 Cb 0.23 -0.39 0.12 0.00 1.34 0.00 0.00 72.50 73.81 2k3u s THR 37 CO -0.10 -0.10 1.82 0.25 -0.54 0.00 0.00 174.62 175.94 2k3u h LEU 38 N 5.45 0.51 -0.68 4.79 5.85 -1.59 -2.83 115.31 126.81 2k3u h LEU 38 Ca -0.30 -0.12 0.07 0.00 0.84 0.00 0.00 57.88 58.36 2k3u h LEU 38 Cb 1.20 -0.13 -0.06 0.00 0.37 0.00 0.00 40.66 42.04 2k3u h LEU 38 CO 0.47 0.64 0.37 1.23 -0.34 0.00 0.00 178.44 180.80 2k3u h GLY 39 N 0.91 1.00 1.29 3.75 0.00 -1.28 0.86 103.07 109.60 2k3u h GLY 39 Ca 0.10 -0.25 -0.11 0.00 0.00 0.00 0.00 47.33 47.06 2k3u h GLY 39 CO 0.02 0.13 -0.19 0.50 0.00 0.00 0.00 176.54 177.00 2k3u h LYS 40 N 0.66 0.82 -0.52 4.80 1.79 -1.74 -2.53 116.57 119.86 2k3u h LYS 40 Ca 0.31 -0.32 -0.07 0.00 -2.18 0.00 0.00 60.65 58.39 2k3u h LYS 40 Cb 0.23 -0.04 -0.02 0.00 -1.58 0.00 0.00 32.23 30.82 2k3u h LYS 40 CO -0.20 0.95 0.04 1.25 -1.08 0.00 0.00 179.45 180.40 2k3u h LEU 41 N 0.72 0.86 -1.24 2.94 5.85 -1.18 -2.21 115.31 121.05 2k3u h LEU 41 Ca 0.10 -0.29 0.01 0.00 0.84 0.00 0.00 57.88 58.55 2k3u h LEU 41 Cb 0.71 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 41.47 2k3u h LEU 41 CO 0.05 0.93 0.52 -0.78 -0.34 0.00 0.00 178.44 178.83 2k3u h ASP 42 N 0.76 0.88 -0.46 1.25 3.58 -0.75 0.12 116.42 121.80 2k3u h ASP 42 Ca 0.15 -0.02 -0.13 0.00 0.42 0.00 0.00 57.03 57.45 2k3u h ASP 42 Cb 0.47 -0.22 -0.01 0.00 1.72 0.00 0.00 39.33 41.29 2k3u h ASP 42 CO 0.02 0.63 -0.20 -0.08 -2.88 0.00 0.00 179.24 176.73 2k3u h GLU 43 N 1.04 0.97 0.10 0.28 4.81 -1.30 -1.47 114.58 119.01 2k3u h GLU 43 Ca 0.29 -0.40 -0.00 0.00 -0.13 0.00 0.00 59.36 59.11 2k3u h GLU 43 Cb -0.09 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.25 2k3u h GLU 43 CO -0.07 1.07 -0.05 -0.09 -0.73 0.00 0.00 179.01 179.15 2k3u h ARG 44 N 0.84 -0.13 -0.18 1.92 2.43 -1.03 -3.17 114.38 115.06 2k3u h ARG 44 Ca 0.11 0.01 -0.10 0.00 -0.81 0.00 0.00 59.98 59.20 2k3u h ARG 44 Cb 0.77 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.34 2k3u h ARG 44 CO 0.06 0.14 -0.30 -0.07 -1.51 0.00 0.00 179.97 178.29 2k3u h LEU 45 N -0.39 0.36 -1.52 3.80 3.38 -0.69 0.45 115.31 120.70 2k3u h LEU 45 Ca -0.01 -0.13 -0.03 0.00 0.09 0.00 0.00 57.88 57.80 2k3u h LEU 45 Cb 0.33 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 2k3u h LEU 45 CO 0.02 0.66 -0.03 0.03 0.09 0.00 0.00 178.44 179.21 2k3u h ARG 46 N 0.31 0.27 -0.08 1.13 3.08 -1.38 0.06 114.38 117.77 2k3u h ARG 46 Ca 0.04 -0.04 -0.23 0.00 0.07 0.00 0.00 59.98 59.82 2k3u h ARG 46 Cb 0.70 -0.05 0.01 0.00 0.08 0.00 0.00 29.97 30.71 2k3u h ARG 46 CO 0.05 0.32 -0.87 -0.91 -1.07 0.00 0.00 179.97 177.49 2k3u h ASN 47 N 0.27 0.83 0.21 7.04 2.35 -1.24 -3.20 115.58 121.83 2k3u h ASN 47 Ca 0.06 -0.59 -0.05 0.00 -0.55 0.00 0.00 56.30 55.17 2k3u h ASN 47 Cb 0.23 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.35 2k3u h ASN 47 CO 0.01 1.38 -0.21 1.88 -1.65 0.00 0.00 177.43 178.84 2k3u h TYR 48 N 0.43 0.02 -0.02 1.19 -1.99 -0.51 -2.53 116.97 113.55 2k3u h TYR 48 Ca -0.08 -0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.65 2k3u h TYR 48 Cb 1.50 -0.00 -0.00 0.00 2.00 0.00 0.00 36.73 40.23 2k3u h TYR 48 CO 0.08 0.23 0.01 1.25 -0.00 0.00 0.00 178.16 179.73 2k3u h LEU 49 N 0.01 0.03 -0.34 3.88 6.46 -1.01 0.13 115.31 124.48 2k3u h LEU 49 Ca 0.00 -0.03 -0.00 0.00 -0.12 0.00 0.00 57.88 57.73 2k3u h LEU 49 Cb 0.39 -0.01 -0.02 0.00 -0.73 0.00 0.00 40.66 40.29 2k3u h LEU 49 CO 0.03 0.05 0.20 0.11 -0.62 0.00 0.00 178.44 178.20 2k3u h LYS 50 N 0.00 0.46 0.00 1.25 1.57 -1.52 -2.55 116.57 115.79 2k3u h LYS 50 Ca 0.01 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 2k3u h LYS 50 Cb 0.02 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.24 2k3u h LYS 50 CO -0.00 0.37 0.00 0.87 -0.57 0.00 0.00 179.45 180.12 2k3u h LYS 51 N 0.43 0.00 -0.01 3.15 1.57 -1.42 -3.35 116.57 116.95 2k3u h LYS 51 Ca 0.12 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 2k3u h LYS 51 Cb 0.03 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.34 2k3u h LYS 51 CO -0.02 0.00 -0.32 0.41 -0.57 0.00 0.00 179.45 178.95 2k3u n GLY 52 N 0.81 -0.08 3.76 3.86 0.00 0.44 -5.03 105.19 108.95 2k3u n GLY 52 Ca 0.03 -0.31 -0.28 0.00 0.00 0.00 0.00 46.02 45.46 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 -1.64 1.74 0.02 2.61 -4.23 -0.97 -5.03 115.64 108.13 2k3u s THR 53 Ca 0.07 -1.80 -0.17 0.00 -1.18 0.00 0.00 61.69 58.62 2k3u s THR 53 Cb 0.09 -2.54 -0.35 0.00 1.34 0.00 0.00 72.50 71.04 2k3u s THR 53 CO 0.33 0.00 0.99 0.11 -0.54 0.00 0.00 174.62 175.51 2k3u h LYS 54 N 1.31 0.52 -3.93 3.99 1.79 -1.89 -3.47 116.57 114.89 2k3u h LYS 54 Ca -0.42 -0.88 -0.11 0.00 -2.18 0.00 0.00 60.65 57.06 2k3u h LYS 54 Cb 1.28 0.33 -0.16 0.00 -1.58 0.00 0.00 32.23 32.10 2k3u h LYS 54 CO 0.70 1.42 -0.53 0.54 -1.08 0.00 0.00 179.45 180.51 2k3u s ASN 55 N -7.51 0.25 0.00 0.86 4.22 -1.26 -5.10 114.94 106.40 2k3u s ASN 55 Ca -0.10 -0.70 0.00 0.00 -2.14 0.00 0.00 52.86 49.93 2k3u s ASN 55 Cb 0.04 0.25 0.00 0.00 1.28 0.00 0.00 41.25 42.81 2k3u s ASN 55 CO 0.93 -0.59 0.02 -0.24 -2.04 0.00 0.00 177.10 175.19 2k3u n SER 56 N 0.37 0.05 0.23 3.54 2.88 -1.26 -4.81 113.62 114.62 2k3u n SER 56 Ca -0.17 -0.39 0.09 0.00 -1.33 0.00 0.00 58.87 57.07 2k3u n SER 56 Cb 0.60 0.64 0.55 0.00 -0.75 0.00 0.00 64.21 65.25 2k3u n SER 56 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2k3u h ALA 57 N 0.00 1.26 -0.00 -1.46 0.00 -1.98 -3.21 119.26 113.87 2k3u h ALA 57 Ca 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.71 2k3u h ALA 57 Cb 0.01 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.77 2k3u h ALA 57 CO 0.00 0.28 -0.17 0.00 0.00 0.00 0.00 179.25 179.36 2k3u n GLN 58 N -3.74 0.02 -1.99 0.00 0.00 -1.26 -4.90 117.38 105.52 2k3u n GLN 58 Ca -0.01 -0.01 -0.32 0.00 0.00 0.00 0.00 57.00 56.65 2k3u n GLN 58 Cb 0.33 -1.50 0.02 0.00 0.00 0.00 0.00 30.24 29.09 2k3u n GLN 58 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.06 177.00 2k3u s PHE 59 N -2.98 3.00 0.00 2.61 0.08 -1.21 -1.64 117.98 117.84 2k3u s PHE 59 Ca 0.14 1.50 0.00 0.00 0.12 0.00 0.00 56.93 58.69 2k3u s PHE 59 Cb 0.19 -2.99 0.00 0.00 -0.57 0.00 0.00 43.02 39.64 2k3u s PHE 59 CO 0.58 -1.13 0.00 -1.91 -0.10 0.00 0.00 175.22 172.67 2k3u n GLU 60 N -2.17 0.02 -3.90 0.44 2.13 0.30 -4.58 120.64 112.88 2k3u n GLU 60 Ca 0.09 0.00 -0.09 0.00 0.66 0.00 0.00 57.16 57.81 2k3u n GLU 60 Cb 0.53 -0.83 -0.01 0.00 0.27 0.00 0.00 31.44 31.40 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 -1.65 1.95 0.11 5.31 -2.85 -1.19 -0.14 119.74 121.28 2k3u s LYS 61 Ca 0.00 -1.36 -0.09 0.00 -1.00 0.00 0.00 55.97 53.52 2k3u s LYS 61 Cb 0.00 0.56 0.00 0.00 -2.06 0.00 0.00 37.83 36.33 2k3u s LYS 61 CO 0.00 -0.88 0.23 0.00 0.10 0.00 0.00 175.35 174.80 2k3u s MET 62 N -3.13 0.92 0.00 1.78 0.23 -0.34 -2.33 119.30 116.43 2k3u s MET 62 Ca 0.18 -0.97 0.00 0.00 -1.03 0.00 0.00 55.69 53.87 2k3u s MET 62 Cb -0.04 0.36 -0.00 0.00 -1.53 0.00 0.00 34.83 33.62 2k3u s MET 62 CO 0.12 -0.31 -0.01 0.08 -2.03 0.00 0.00 175.02 172.86 2k3u s VAL 63 N -3.87 0.10 -0.05 5.16 1.01 0.07 -2.04 120.40 120.77 2k3u s VAL 63 Ca 0.07 -0.13 0.05 0.00 0.00 0.00 0.00 61.98 61.97 2k3u s VAL 63 Cb 0.04 -0.11 -0.02 0.00 0.00 0.00 0.00 36.38 36.30 2k3u s VAL 63 CO -0.09 -0.02 -0.19 -0.63 0.00 0.00 0.00 175.10 174.16 2k3u s ILE 64 N -0.15 2.60 -0.19 2.22 1.09 0.05 -0.51 121.20 126.31 2k3u s ILE 64 Ca -0.01 -0.89 0.01 0.00 -1.10 0.00 0.00 60.65 58.66 2k3u s ILE 64 Cb -0.01 -1.98 0.02 0.00 -1.06 0.00 0.00 42.46 39.43 2k3u s ILE 64 CO -0.00 0.58 -0.19 -0.76 -0.10 0.00 0.00 174.94 174.47 2k3u s LEU 65 N -0.54 2.29 0.49 2.97 1.43 -0.25 -1.81 118.68 123.27 2k3u s LEU 65 Ca 0.07 -0.74 0.08 0.00 -1.03 0.00 0.00 54.13 52.52 2k3u s LEU 65 Cb -0.11 -1.49 0.04 0.00 0.03 0.00 0.00 46.19 44.65 2k3u s LEU 65 CO 0.01 -0.02 0.59 0.42 0.23 0.00 0.00 176.35 177.58 2k3u s THR 66 N 1.27 2.46 1.02 5.49 -4.23 -0.87 -2.08 115.64 118.70 2k3u s THR 66 Ca 0.03 -1.12 -0.15 0.00 -1.18 0.00 0.00 61.69 59.27 2k3u s THR 66 Cb -0.14 -2.59 0.07 0.00 1.34 0.00 0.00 72.50 71.18 2k3u s THR 66 CO -0.12 0.00 0.25 -0.62 -0.54 0.00 0.00 174.62 173.59 2k3u n GLU 67 N -1.93 -0.83 -2.66 3.99 1.02 -0.61 -3.70 120.64 115.93 2k3u n GLU 67 Ca 0.09 -0.21 -0.21 0.00 -0.02 0.00 0.00 57.16 56.81 2k3u n GLU 67 Cb 0.61 -1.80 0.01 0.00 -0.02 0.00 0.00 31.44 30.24 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 -1.49 -5.98 -2.17 1.62 3.02 -0.67 -3.14 115.26 106.45 2k3u n ASN 68 Ca 0.04 -0.13 -0.13 0.00 -0.03 0.00 0.00 54.58 54.33 2k3u n ASN 68 Cb 0.57 -4.90 -0.02 0.00 -0.61 0.00 0.00 39.78 34.82 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 -3.42 -1.98 -1.97 3.52 5.02 0.02 -4.91 118.16 114.45 2k3u n LYS 69 Ca -0.19 0.64 -0.38 0.00 -2.02 0.00 0.00 58.31 56.37 2k3u n LYS 69 Cb 0.66 -5.16 0.02 0.00 -0.02 0.00 0.00 35.03 30.53 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 -2.04 2.85 -0.02 0.72 0.00 -1.19 -4.91 107.32 102.74 2k3u s GLY 70 Ca 0.00 1.19 0.01 0.00 0.00 0.00 0.00 44.72 45.92 2k3u s GLY 70 CO 0.00 1.70 -0.02 -0.47 0.00 0.00 0.00 173.10 174.31 2k3u s TYR 71 N -1.38 0.38 -0.03 1.90 6.14 -1.26 -2.05 117.35 121.06 2k3u s TYR 71 Ca 0.67 -0.05 -0.05 0.00 0.64 0.00 0.00 57.07 58.29 2k3u s TYR 71 Cb -0.36 -0.39 0.01 0.00 0.42 0.00 0.00 41.96 41.63 2k3u s TYR 71 CO 0.44 -0.10 0.11 0.71 0.64 0.00 0.00 175.55 177.35 2k3u s TYR 72 N 0.69 -0.04 0.01 4.97 2.02 -0.75 -5.01 117.35 119.24 2k3u s TYR 72 Ca -0.07 0.11 0.02 0.00 -0.37 0.00 0.00 57.07 56.75 2k3u s TYR 72 Cb -0.10 -0.01 -0.01 0.00 -0.40 0.00 0.00 41.96 41.44 2k3u s TYR 72 CO -0.01 -0.15 -0.06 -0.08 -1.57 0.00 0.00 175.55 173.68 2k3u s THR 73 N -0.53 0.46 -0.05 -0.71 -1.32 -1.26 -0.77 115.64 111.46 2k3u s THR 73 Ca -0.06 -0.49 -0.03 0.00 -1.21 0.00 0.00 61.69 59.90 2k3u s THR 73 Cb -0.04 -0.43 0.02 0.00 -1.51 0.00 0.00 72.50 70.54 2k3u s THR 73 CO 0.00 -0.03 0.12 -0.69 -2.21 0.00 0.00 174.62 171.81 2k3u s VAL 74 N -0.51 -0.02 0.53 5.08 1.01 -0.87 -5.02 120.40 120.60 2k3u s VAL 74 Ca -0.02 0.09 -0.17 0.00 0.00 0.00 0.00 61.98 61.87 2k3u s VAL 74 Cb -0.04 -0.19 -0.07 0.00 0.00 0.00 0.00 36.38 36.08 2k3u s VAL 74 CO -0.00 0.04 1.03 -0.31 0.00 0.00 0.00 175.10 175.85 2k3u s TYR 75 N 0.57 3.14 -0.25 5.22 1.51 -1.26 -1.20 117.35 125.07 2k3u s TYR 75 Ca -0.04 1.52 0.11 0.00 -1.01 0.00 0.00 57.07 57.65 2k3u s TYR 75 Cb -0.06 -2.95 -0.15 0.00 -0.11 0.00 0.00 41.96 38.69 2k3u s TYR 75 CO -0.03 -0.77 0.35 1.28 -1.11 0.00 0.00 175.55 175.28 2k3u n LEU 76 N -1.53 0.24 0.19 -1.29 4.77 0.81 -4.21 117.00 115.97 2k3u n LEU 76 Ca 0.08 -0.23 0.12 0.00 -0.03 0.00 0.00 56.01 55.95 2k3u n LEU 76 Cb 0.53 0.00 0.63 0.00 -2.33 0.00 0.00 43.42 42.25 2k3u n LEU 76 CO 0.44 0.06 0.87 0.78 -1.33 0.00 0.00 177.39 178.22 2k3u h ASN 77 N 0.00 0.00 -5.10 -1.43 2.35 -1.72 -3.44 115.58 106.23 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 0.40 0.00 -0.15 0.00 0.05 0.00 0.00 38.32 38.62 2k3u h ASN 77 CO 0.00 0.00 -0.32 0.42 -1.65 0.00 0.00 177.43 175.88 2k3u s THR 78 N -3.60 0.11 0.69 2.81 -4.23 -1.26 -5.17 115.64 105.00 2k3u s THR 78 Ca -0.03 -0.94 -0.16 0.00 -1.18 0.00 0.00 61.69 59.38 2k3u s THR 78 Cb 0.07 -1.12 0.02 0.00 1.34 0.00 0.00 72.50 72.80 2k3u s THR 78 CO 0.21 -0.52 1.21 -2.84 -0.54 0.00 0.00 174.62 172.14 2k3u s PRO 79 N -3.23 2.38 0.69 3.99 0.02 -1.26 -4.77 135.00 132.83 2k3u s PRO 79 Ca -0.00 1.78 -0.17 0.00 0.02 0.00 0.00 61.00 62.63 2k3u s PRO 79 Cb 0.02 -1.86 0.01 0.00 0.02 0.00 0.00 34.50 32.69 2k3u s PRO 79 CO -0.08 -1.65 1.25 -0.48 -0.33 0.00 0.00 177.00 175.72 2k3u s LEU 80 N -4.85 3.45 0.63 -5.54 2.34 -1.26 -5.00 118.68 108.45 2k3u s LEU 80 Ca 0.75 2.50 -0.14 0.00 0.06 0.00 0.00 54.13 57.31 2k3u s LEU 80 Cb -0.30 -4.61 -0.02 0.00 -0.56 0.00 0.00 46.19 40.70 2k3u s LEU 80 CO 0.42 -2.14 1.05 0.00 -1.06 0.00 0.00 176.35 174.62 2k3u s ALA 81 N -1.66 2.76 0.39 1.48 0.00 -1.26 -4.97 121.76 118.50 2k3u s ALA 81 Ca 0.79 0.24 0.10 0.00 0.00 0.00 0.00 51.96 53.09 2k3u s ALA 81 Cb -0.34 -3.19 0.89 0.00 0.00 0.00 0.00 23.12 20.48 2k3u s ALA 81 CO 0.42 -0.91 1.93 1.05 0.00 0.00 0.00 175.76 178.25 2k3u h GLU 82 N 0.02 0.58 0.00 0.00 4.11 -2.02 -2.73 114.58 114.53 2k3u h GLU 82 Ca -0.46 -0.03 -0.13 0.00 0.07 0.00 0.00 59.36 58.81 2k3u h GLU 82 Cb 1.21 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 30.31 2k3u h GLU 82 CO 0.58 0.38 -0.94 -0.44 0.07 0.00 0.00 179.01 178.66 2k3u h ASP 83 N 0.60 0.00 0.20 3.06 3.32 -2.02 -3.01 116.42 118.58 2k3u h ASP 83 Ca 0.36 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.41 2k3u h ASP 83 Cb 0.59 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.14 2k3u h ASP 83 CO -0.13 0.54 -0.01 0.03 -1.72 0.00 0.00 179.24 177.95 2k3u h ARG 84 N 0.00 0.00 0.00 3.56 3.08 -1.88 -2.55 114.38 116.60 2k3u h ARG 84 Ca -0.08 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 59.93 2k3u h ARG 84 Cb 1.48 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.52 2k3u h ARG 84 CO 0.06 0.01 -0.20 0.87 -1.07 0.00 0.00 179.97 179.64 2k3u h LYS 85 N 0.00 0.00 0.00 0.04 1.57 -1.55 -1.53 116.57 115.10 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 0.11 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.42 2k3u h LYS 85 CO 0.00 0.20 0.00 0.27 -0.57 0.00 0.00 179.45 179.35 2k3u n ASN 86 N -3.97 0.24 -4.70 0.86 0.23 -0.98 -3.36 115.26 103.58 2k3u n ASN 86 Ca -0.02 -0.60 -0.42 0.00 -0.53 0.00 0.00 54.58 53.01 2k3u n ASN 86 Cb 0.28 0.67 -0.03 0.00 -2.08 0.00 0.00 39.78 38.62 2k3u n ASN 86 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 2k3u s VAL 87 N -0.67 2.77 0.02 3.53 0.11 -1.09 -4.86 120.40 120.21 2k3u s VAL 87 Ca 0.00 0.34 -0.30 0.00 -2.93 0.00 0.00 61.98 59.09 2k3u s VAL 87 Cb 0.00 -3.22 -0.06 0.00 -1.53 0.00 0.00 36.38 31.57 2k3u s VAL 87 CO 0.00 0.01 1.39 -1.61 -3.33 0.00 0.00 175.10 171.56 2k3u s GLU 88 N 2.30 4.29 0.13 1.54 2.02 -1.26 -2.18 118.70 125.55 2k3u s GLU 88 Ca 0.75 1.97 -0.31 0.00 0.02 0.00 0.00 54.97 57.41 2k3u s GLU 88 Cb -0.43 -3.53 -0.07 0.00 0.10 0.00 0.00 34.13 30.20 2k3u s GLU 88 CO 0.33 -0.55 1.28 -0.51 0.02 0.00 0.00 175.26 175.83 2k3u s LEU 89 N 2.19 4.40 0.57 1.80 1.43 0.12 -4.95 118.68 124.25 2k3u s LEU 89 Ca 0.64 2.24 0.28 0.00 -1.03 0.00 0.00 54.13 56.25 2k3u s LEU 89 Cb -0.32 -3.59 1.71 0.00 0.03 0.00 0.00 46.19 44.02 2k3u s LEU 89 CO 0.27 -0.51 2.22 -0.07 0.23 0.00 0.00 176.35 178.49 2k3u h LEU 90 N 6.15 0.00 0.00 1.79 3.38 -1.90 -3.47 115.31 121.26 2k3u h LEU 90 Ca -0.43 0.00 0.09 0.00 0.09 0.00 0.00 57.88 57.63 2k3u h LEU 90 Cb 1.21 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.95 2k3u h LEU 90 CO 0.80 0.02 0.32 0.61 0.09 0.00 0.00 178.44 180.27 2k3u n GLY 91 N -1.28 0.89 3.76 0.83 0.00 -1.23 -4.61 105.19 103.55 2k3u n GLY 91 Ca -0.03 -1.02 -0.33 0.00 0.00 0.00 0.00 46.02 44.63 2k3u n GLY 91 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2k3u s LYS 92 N -2.02 2.76 -0.91 1.61 2.47 -1.26 -4.52 119.74 117.87 2k3u s LYS 92 Ca 0.12 1.47 -0.18 0.00 -1.56 0.00 0.00 55.97 55.82 2k3u s LYS 92 Cb -0.01 -1.94 -0.11 0.00 -1.46 0.00 0.00 37.83 34.31 2k3u s LYS 92 CO 0.02 -1.30 2.02 -0.12 0.16 0.00 0.00 175.35 176.14 2k3u n MET 93 N -2.35 1.83 -0.23 4.03 0.00 -0.55 -1.58 117.12 118.28 2k3u n MET 93 Ca 0.11 -1.89 0.00 0.00 0.00 0.00 0.00 57.70 55.93 2k3u n MET 93 Cb 0.52 -2.88 0.12 0.00 0.00 0.00 0.00 33.22 30.97 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 7.30 0.61 -2.56 1.12 3.20 -1.38 -2.89 116.97 122.36 2k3u h TYR 94 Ca 0.47 0.03 -0.06 0.00 3.14 0.00 0.00 58.73 62.30 2k3u h TYR 94 Cb 0.57 -0.17 -0.17 0.00 1.54 0.00 0.00 36.73 38.50 2k3u h TYR 94 CO 1.41 0.23 0.08 0.21 -1.64 0.00 0.00 178.16 178.46 2k3u s LYS 95 N -6.07 1.04 0.04 1.82 2.20 -0.88 -0.83 119.74 117.05 2k3u s LYS 95 Ca -0.13 -0.09 0.01 0.00 -0.36 0.00 0.00 55.97 55.40 2k3u s LYS 95 Cb 0.17 0.48 -0.02 0.00 -1.51 0.00 0.00 37.83 36.95 2k3u s LYS 95 CO 0.76 -0.37 -0.06 0.99 -0.36 0.00 0.00 175.35 176.31 2k3u s THR 96 N -2.09 0.40 -0.00 3.43 2.01 -0.18 -1.10 115.64 118.11 2k3u s THR 96 Ca -0.07 -1.11 0.01 0.00 0.31 0.00 0.00 61.69 60.84 2k3u s THR 96 Cb -0.01 -0.60 -0.00 0.00 0.01 0.00 0.00 72.50 71.90 2k3u s THR 96 CO 0.01 -0.48 -0.05 -0.31 -0.69 0.00 0.00 174.62 173.11 2k3u s TYR 97 N -1.65 0.41 0.02 4.92 1.51 0.33 -1.26 117.35 121.64 2k3u s TYR 97 Ca -0.10 -0.08 -0.01 0.00 -1.01 0.00 0.00 57.07 55.87 2k3u s TYR 97 Cb -0.08 -0.26 -0.02 0.00 -0.11 0.00 0.00 41.96 41.49 2k3u s TYR 97 CO -0.01 -0.01 -0.01 -0.06 -1.11 0.00 0.00 175.55 174.35 2k3u s PHE 98 N -0.13 0.24 -0.02 2.71 0.40 0.18 -0.75 117.98 120.61 2k3u s PHE 98 Ca 0.01 -0.50 0.00 0.00 -0.60 0.00 0.00 56.93 55.85 2k3u s PHE 98 Cb -0.02 -0.18 0.02 0.00 0.51 0.00 0.00 43.02 43.36 2k3u s PHE 98 CO -0.00 -0.21 0.02 -0.06 0.70 0.00 0.00 175.22 175.67 2k3u s PHE 99 N -1.51 0.07 0.98 0.36 0.40 -0.98 -2.67 117.98 114.63 2k3u s PHE 99 Ca -0.15 0.09 -0.12 0.00 -0.60 0.00 0.00 56.93 56.14 2k3u s PHE 99 Cb -0.09 -0.23 0.18 0.00 0.51 0.00 0.00 43.02 43.39 2k3u s PHE 99 CO -0.01 -0.08 1.10 0.15 0.70 0.00 0.00 175.22 177.08 2k3u s LYS 100 N 0.90 0.55 0.00 0.44 3.01 -1.26 -0.54 119.74 122.84 2k3u s LYS 100 Ca -0.08 0.46 -0.00 0.00 -1.01 0.00 0.00 55.97 55.35 2k3u s LYS 100 Cb -0.11 -1.76 -0.00 0.00 -1.01 0.00 0.00 37.83 34.95 2k3u s LYS 100 CO -0.02 -2.64 0.29 1.63 0.51 0.00 0.00 175.35 175.12 2k3u n LYS 101 N -4.10 0.13 0.00 1.68 5.02 -0.65 -1.99 118.16 118.25 2k3u n LYS 101 Ca 0.05 -0.01 0.00 0.00 -2.02 0.00 0.00 58.31 56.34 2k3u n LYS 101 Cb 0.58 -1.45 0.00 0.00 -0.02 0.00 0.00 35.03 34.14 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 2.01 0.00 3.04 0.72 0.00 -1.26 -5.09 105.19 104.61 2k3u n GLY 102 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.93 2k3u n GLY 102 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2k3u s GLU 103 N 0.00 0.41 0.00 1.61 2.02 -0.84 -5.04 118.70 116.85 2k3u s GLU 103 Ca 0.00 -0.60 0.00 0.00 0.02 0.00 0.00 54.97 54.39 2k3u s GLU 103 Cb 0.00 0.15 0.00 0.00 0.10 0.00 0.00 34.13 34.38 2k3u s GLU 103 CO 0.00 -0.08 0.56 -1.13 0.02 0.00 0.00 175.26 174.63 2k3u n SER 104 N 1.39 0.36 -3.96 -0.19 3.41 -1.26 -4.72 113.62 108.65 2k3u n SER 104 Ca -0.23 -1.17 -0.25 0.00 -0.26 0.00 0.00 58.87 56.96 2k3u n SER 104 Cb 0.56 0.00 -0.17 0.00 -0.26 0.00 0.00 64.21 64.34 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 -0.17 1.55 -0.12 4.33 2.20 -1.26 -5.11 119.74 121.16 2k3u s LYS 105 Ca 0.00 -0.32 -0.29 0.00 -0.36 0.00 0.00 55.97 55.00 2k3u s LYS 105 Cb 0.00 -1.44 -0.06 0.00 -1.51 0.00 0.00 37.83 34.82 2k3u s LYS 105 CO 0.00 -0.12 1.96 -1.54 -0.36 0.00 0.00 175.35 175.30 2k3u s SER 106 N 1.16 6.08 0.39 1.43 1.04 -1.26 -4.89 113.70 117.65 2k3u s SER 106 Ca -0.05 2.12 0.20 0.00 0.48 0.00 0.00 55.95 58.69 2k3u s SER 106 Cb -0.14 -2.52 0.73 0.00 0.10 0.00 0.00 66.02 64.19 2k3u s SER 106 CO -0.02 -1.43 1.76 0.77 0.98 0.00 0.00 173.24 175.29 2k3u h SER 107 N 12.22 0.00 -4.34 7.02 4.64 -1.92 -3.46 113.55 127.72 2k3u h SER 107 Ca -0.42 0.00 -0.56 0.00 -0.47 0.00 0.00 61.79 60.33 2k3u h SER 107 Cb 1.22 0.00 -0.28 0.00 -0.31 0.00 0.00 62.40 63.02 2k3u h SER 107 CO 0.96 0.33 -0.84 -0.47 -0.87 0.00 0.00 176.83 175.95 2k3u s TYR 108 N -3.62 1.68 0.11 4.77 5.04 -1.19 -5.04 117.35 119.10 2k3u s TYR 108 Ca 0.00 -0.33 -0.08 0.00 -2.44 0.00 0.00 57.07 54.22 2k3u s TYR 108 Cb 0.11 -1.05 -0.01 0.00 0.35 0.00 0.00 41.96 41.35 2k3u s TYR 108 CO 0.67 0.01 0.19 0.14 -1.34 0.00 0.00 175.55 175.22 2k3u s VAL 109 N -0.57 0.13 -0.06 3.14 -7.23 -1.26 -0.65 120.40 113.89 2k3u s VAL 109 Ca 0.07 -1.34 -0.03 0.00 -1.81 0.00 0.00 61.98 58.87 2k3u s VAL 109 Cb -0.08 -1.54 0.04 0.00 0.56 0.00 0.00 36.38 35.36 2k3u s VAL 109 CO 0.00 -0.57 0.14 -0.63 -0.31 0.00 0.00 175.10 173.73 2k3u s ILE 110 N -3.91 -0.05 0.08 -0.62 1.01 -0.38 -4.98 121.20 112.34 2k3u s ILE 110 Ca 0.10 0.18 -0.05 0.00 0.00 0.00 0.00 60.65 60.88 2k3u s ILE 110 Cb 0.05 -0.23 -0.05 0.00 0.01 0.00 0.00 42.46 42.23 2k3u s ILE 110 CO -0.07 0.07 0.32 0.20 0.00 0.00 0.00 174.94 175.46 2k3u s ASN 111 N 1.16 6.49 0.16 3.58 0.01 -1.26 -1.01 114.94 124.07 2k3u s ASN 111 Ca -0.09 0.55 -0.04 0.00 -0.71 0.00 0.00 52.86 52.57 2k3u s ASN 111 Cb -0.12 -2.08 0.02 0.00 0.41 0.00 0.00 41.25 39.48 2k3u s ASN 111 CO -0.06 0.15 0.29 0.61 -1.51 0.00 0.00 177.10 176.58 2k3u n GLY 112 N 0.56 1.98 3.68 0.66 0.00 -0.01 -4.95 105.19 107.11 2k3u n GLY 112 Ca -0.06 -1.25 -0.42 0.00 0.00 0.00 0.00 46.02 44.28 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 -2.15 4.22 0.00 1.61 0.04 -1.09 -4.22 135.00 133.40 2k3u s PRO 113 Ca 0.09 2.16 0.00 0.00 0.04 0.00 0.00 61.00 63.28 2k3u s PRO 113 Cb -0.01 -3.75 0.00 0.00 0.04 0.00 0.00 34.50 30.78 2k3u s PRO 113 CO 0.06 -0.73 0.00 0.41 0.04 0.00 0.00 177.00 176.78 2k3u n GLY 114 N 3.94 0.42 4.94 0.56 0.00 -1.26 -1.48 105.19 112.31 2k3u n GLY 114 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 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 -3.54 1.61 3.00 -1.26 -4.65 118.16 113.33 2k3u n LYS 115 Ca 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 58.31 58.20 2k3u n LYS 115 Cb 0.00 -3.40 -0.04 0.00 0.00 0.00 0.00 35.03 31.59 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 -0.01 0.00 0.14 3.15 -1.32 -1.26 -5.00 115.64 111.34 2k3u s THR 116 Ca 0.00 0.00 0.09 0.00 -1.21 0.00 0.00 61.69 60.57 2k3u s THR 116 Cb 0.00 -1.00 -0.13 0.00 -1.51 0.00 0.00 72.50 69.86 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 2.38 0.00 -0.84 8.08 4.21 -1.87 -3.34 115.58 124.20 2k3u h ASN 117 Ca -0.21 0.00 -0.53 0.00 1.21 0.00 0.00 56.30 56.77 2k3u h ASN 117 Cb 1.20 0.00 -0.07 0.00 -1.12 0.00 0.00 38.32 38.32 2k3u h ASN 117 CO 0.32 0.84 1.56 -1.61 -1.29 0.00 0.00 177.43 177.25 2k3u s GLU 118 N -2.98 3.37 -1.38 0.81 2.02 -1.26 -0.80 118.70 118.47 2k3u s GLU 118 Ca 0.01 -1.32 -0.08 0.00 0.02 0.00 0.00 54.97 53.60 2k3u s GLU 118 Cb 0.10 -5.36 0.00 0.00 0.10 0.00 0.00 34.13 28.98 2k3u s GLU 118 CO 0.79 -2.75 0.40 0.66 0.02 0.00 0.00 175.26 174.38 2k3u n TYR 119 N 10.54 -1.55 -2.64 1.61 4.01 -1.26 -2.90 117.16 124.97 2k3u n TYR 119 Ca 0.42 0.58 -0.11 0.00 -0.16 0.00 0.00 57.90 58.63 2k3u n TYR 119 Cb 0.48 -3.33 -0.01 0.00 -0.31 0.00 0.00 39.34 36.17 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 -4.51 -0.89 -0.70 -0.72 0.00 -1.26 -4.95 120.51 107.48 2k3u n ALA 120 Ca -0.26 0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.24 2k3u n ALA 120 Cb 0.66 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.67 2k3u n ALA 120 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48