#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 0.55 -3.77 6.41 7.64 -1.26 -5.03 113.62 118.17 2k3u n SER 32 Ca 0.00 -1.97 -0.29 0.00 1.01 0.00 0.00 58.87 57.62 2k3u n SER 32 Cb 0.00 -0.19 0.01 0.00 -1.01 0.00 0.00 64.21 63.02 2k3u n SER 32 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2k3u n GLY 33 N 0.35 -0.49 2.76 0.23 0.00 -1.26 -4.97 105.19 101.81 2k3u n GLY 33 Ca 0.00 0.16 -0.28 0.00 0.00 0.00 0.00 46.02 45.89 2k3u n GLY 33 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2k3u s LEU 34 N -7.05 1.57 1.06 0.99 0.20 -1.26 -5.15 118.68 109.04 2k3u s LEU 34 Ca 0.59 -1.03 -0.19 0.00 0.69 0.00 0.00 54.13 54.19 2k3u s LEU 34 Cb -0.30 -0.73 0.03 0.00 -0.43 0.00 0.00 46.19 44.76 2k3u s LEU 34 CO 0.73 -0.32 -0.23 -2.65 -0.29 0.00 0.00 176.35 173.59 2k3u n PRO 35 N 4.96 -1.01 -0.35 0.98 -0.02 -1.26 -4.99 135.00 133.31 2k3u n PRO 35 Ca -0.08 -0.28 0.07 0.00 -2.02 0.00 0.00 63.50 61.20 2k3u n PRO 35 Cb 0.46 -1.57 0.20 0.00 -0.02 0.00 0.00 33.50 32.57 2k3u n PRO 35 CO 0.00 0.00 0.00 -2.37 1.98 0.00 0.00 175.50 175.11 2k3u n THR 36 N -4.01 2.16 -4.35 3.45 5.66 -1.26 -4.88 114.28 111.05 2k3u n THR 36 Ca 0.01 -2.25 -0.18 0.00 -3.05 0.00 0.00 64.05 58.57 2k3u n THR 36 Cb 0.63 -0.26 -0.14 0.00 -1.55 0.00 0.00 70.33 69.01 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 -2.94 0.77 0.48 1.09 -4.23 -1.26 -0.94 115.64 108.62 2k3u s THR 37 Ca 0.38 -0.54 0.15 0.00 -1.18 0.00 0.00 61.69 60.50 2k3u s THR 37 Cb 0.33 -0.67 0.23 0.00 1.34 0.00 0.00 72.50 73.73 2k3u s THR 37 CO 0.04 0.13 2.07 -0.07 -0.54 0.00 0.00 174.62 176.25 2k3u h LEU 38 N 5.65 0.01 -2.16 4.79 3.38 -1.55 -2.21 115.31 123.22 2k3u h LEU 38 Ca -0.32 -0.00 0.06 0.00 0.09 0.00 0.00 57.88 57.71 2k3u h LEU 38 Cb 1.18 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.92 2k3u h LEU 38 CO 0.48 0.10 0.20 1.23 0.09 0.00 0.00 178.44 180.54 2k3u h GLY 39 N 0.27 0.00 0.07 0.83 0.00 -0.97 0.11 103.07 103.38 2k3u h GLY 39 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 47.33 46.96 2k3u h GLY 39 CO 0.01 0.00 -2.36 0.28 0.00 0.00 0.00 176.54 174.47 2k3u n LYS 40 N -4.00 0.68 -0.05 4.80 5.02 -0.91 -4.06 118.16 119.65 2k3u n LYS 40 Ca 0.02 0.05 -0.15 0.00 -2.02 0.00 0.00 58.31 56.21 2k3u n LYS 40 Cb 0.34 -1.54 -0.07 0.00 -0.02 0.00 0.00 35.03 33.73 2k3u n LYS 40 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 2k3u h LEU 41 N 0.00 0.58 -1.09 -0.35 5.85 -1.03 -3.02 115.31 116.24 2k3u h LEU 41 Ca -0.54 -0.58 -0.03 0.00 0.84 0.00 0.00 57.88 57.58 2k3u h LEU 41 Cb 2.16 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 42.99 2k3u h LEU 41 CO 0.01 1.05 0.32 -0.78 -0.34 0.00 0.00 178.44 178.70 2k3u h ASP 42 N 0.13 0.86 -0.55 1.25 3.58 -1.03 0.17 116.42 120.84 2k3u h ASP 42 Ca -0.00 -0.09 0.05 0.00 0.42 0.00 0.00 57.03 57.40 2k3u h ASP 42 Cb 0.97 -0.22 -0.05 0.00 1.72 0.00 0.00 39.33 41.76 2k3u h ASP 42 CO 0.08 0.74 0.28 -0.08 -2.88 0.00 0.00 179.24 177.37 2k3u h GLU 43 N 0.95 0.52 -0.14 0.28 4.57 -1.70 -1.05 114.58 118.01 2k3u h GLU 43 Ca 0.23 -0.03 -0.05 0.00 -1.18 0.00 0.00 59.36 58.33 2k3u h GLU 43 Cb 0.11 -0.12 -0.00 0.00 -0.16 0.00 0.00 28.75 28.58 2k3u h GLU 43 CO -0.03 0.34 -0.13 -0.09 -1.18 0.00 0.00 179.01 177.93 2k3u h ARG 44 N 0.53 0.33 -0.16 1.92 2.43 -1.17 -3.00 114.38 115.26 2k3u h ARG 44 Ca 0.24 -0.17 -0.06 0.00 -0.81 0.00 0.00 59.98 59.19 2k3u h ARG 44 Cb 0.16 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.70 2k3u h ARG 44 CO -0.17 0.71 -0.16 -0.07 -1.51 0.00 0.00 179.97 178.77 2k3u h LEU 45 N -0.04 0.25 -0.87 3.80 3.38 -0.54 0.13 115.31 121.42 2k3u h LEU 45 Ca 0.02 -0.06 -0.02 0.00 0.09 0.00 0.00 57.88 57.91 2k3u h LEU 45 Cb 0.65 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 41.29 2k3u h LEU 45 CO 0.03 0.43 0.46 0.03 0.09 0.00 0.00 178.44 179.48 2k3u h ARG 46 N 0.25 1.22 -0.25 1.13 3.08 -1.26 -2.65 114.38 115.90 2k3u h ARG 46 Ca 0.05 -0.16 -0.12 0.00 0.07 0.00 0.00 59.98 59.82 2k3u h ARG 46 Cb 0.43 -0.23 -0.01 0.00 0.08 0.00 0.00 29.97 30.24 2k3u h ARG 46 CO 0.03 0.91 -0.35 -0.91 -1.07 0.00 0.00 179.97 178.58 2k3u h ASN 47 N 1.22 0.56 -0.92 7.04 2.35 -0.99 -3.28 115.58 121.55 2k3u h ASN 47 Ca 0.30 -0.23 0.11 0.00 -0.55 0.00 0.00 56.30 55.93 2k3u h ASN 47 Cb 0.06 -0.16 -0.07 0.00 0.05 0.00 0.00 38.32 38.20 2k3u h ASN 47 CO -0.05 0.86 0.59 1.88 -1.65 0.00 0.00 177.43 179.07 2k3u h TYR 48 N 0.45 0.99 -0.18 1.19 -1.99 -0.44 0.53 116.97 117.53 2k3u h TYR 48 Ca 0.05 0.03 -0.03 0.00 2.00 0.00 0.00 58.73 60.77 2k3u h TYR 48 Cb 0.82 -0.32 -0.01 0.00 2.00 0.00 0.00 36.73 39.23 2k3u h TYR 48 CO 0.03 0.43 -0.02 -0.07 -0.00 0.00 0.00 178.16 178.54 2k3u h LEU 49 N 0.90 0.32 -0.05 3.88 3.38 -1.61 -1.35 115.31 120.79 2k3u h LEU 49 Ca 0.44 -0.33 -0.00 0.00 0.09 0.00 0.00 57.88 58.07 2k3u h LEU 49 Cb 0.46 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.12 2k3u h LEU 49 CO -0.20 0.58 0.03 0.11 0.09 0.00 0.00 178.44 179.05 2k3u h LYS 50 N 0.06 0.07 0.00 1.13 1.57 -1.46 0.73 116.57 118.67 2k3u h LYS 50 Ca 0.05 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 2k3u h LYS 50 Cb 0.43 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.72 2k3u h LYS 50 CO 0.01 0.11 0.00 1.63 -0.57 0.00 0.00 179.45 180.63 2k3u n LYS 51 N -5.02 0.00 0.00 3.15 5.02 0.11 -4.18 118.16 117.24 2k3u n LYS 51 Ca -0.06 0.39 0.00 0.00 -2.02 0.00 0.00 58.31 56.62 2k3u n LYS 51 Cb 0.06 -1.51 0.00 0.00 -0.02 0.00 0.00 35.03 33.56 2k3u n LYS 51 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2k3u n GLY 52 N -0.84 0.00 4.01 0.72 0.00 -0.51 -5.03 105.19 103.55 2k3u n GLY 52 Ca 0.02 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.84 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 -1.62 2.59 0.15 2.61 -4.23 0.21 -5.04 115.64 110.31 2k3u s THR 53 Ca 0.00 -0.88 -0.01 0.00 -1.18 0.00 0.00 61.69 59.62 2k3u s THR 53 Cb 0.00 -2.71 -0.16 0.00 1.34 0.00 0.00 72.50 70.97 2k3u s THR 53 CO 0.00 0.00 1.35 0.11 -0.54 0.00 0.00 174.62 175.54 2k3u h LYS 54 N 0.25 0.32 -1.85 3.99 1.57 -1.90 -3.45 116.57 115.50 2k3u h LYS 54 Ca -0.37 -0.33 -0.14 0.00 -1.87 0.00 0.00 60.65 57.94 2k3u h LYS 54 Cb 1.28 0.09 -0.29 0.00 0.08 0.00 0.00 32.23 33.39 2k3u h LYS 54 CO 0.45 1.02 -0.47 1.21 -0.57 0.00 0.00 179.45 181.09 2k3u s ASN 55 N -7.00 0.15 0.50 0.86 2.47 -1.26 -5.02 114.94 105.64 2k3u s ASN 55 Ca -0.05 0.26 0.19 0.00 0.42 0.00 0.00 52.86 53.69 2k3u s ASN 55 Cb 0.10 1.17 1.28 0.00 -1.45 0.00 0.00 41.25 42.35 2k3u s ASN 55 CO 0.85 -0.30 2.09 -1.28 -3.72 0.00 0.00 177.10 174.74 2k3u h SER 56 N 8.17 0.00 0.47 -4.21 0.87 -1.87 -3.33 113.55 113.64 2k3u h SER 56 Ca -0.20 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.36 2k3u h SER 56 Cb 1.16 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.12 2k3u h SER 56 CO 0.27 0.09 0.00 0.00 -0.53 0.00 0.00 176.83 176.66 2k3u n ALA 57 N -2.45 1.75 0.88 6.23 0.00 -1.26 -1.38 120.51 124.27 2k3u n ALA 57 Ca -0.03 -0.06 0.13 0.00 0.00 0.00 0.00 53.44 53.48 2k3u n ALA 57 Cb 0.17 -1.25 0.40 0.00 0.00 0.00 0.00 19.45 18.77 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 -1.44 0.09 -2.75 0.00 10.64 -1.25 -4.93 117.38 117.73 2k3u n GLN 58 Ca 0.05 0.05 -0.31 0.00 -1.83 0.00 0.00 57.00 54.95 2k3u n GLN 58 Cb 0.16 -1.57 -0.04 0.00 -0.86 0.00 0.00 30.24 27.93 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 -3.04 3.45 0.00 2.61 0.08 -0.48 -0.67 117.98 119.94 2k3u s PHE 59 Ca 0.11 1.19 0.00 0.00 0.12 0.00 0.00 56.93 58.35 2k3u s PHE 59 Cb 0.17 -2.56 0.00 0.00 -0.57 0.00 0.00 43.02 40.06 2k3u s PHE 59 CO 0.62 -0.16 0.00 -1.91 -0.10 0.00 0.00 175.22 173.67 2k3u n GLU 60 N -1.28 0.00 -4.04 0.44 2.13 -0.17 -4.67 120.64 113.05 2k3u n GLU 60 Ca 0.04 0.00 -0.12 0.00 0.66 0.00 0.00 57.16 57.74 2k3u n GLU 60 Cb 0.54 -0.49 -0.04 0.00 0.27 0.00 0.00 31.44 31.72 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 -1.00 1.76 0.15 5.31 -2.85 -1.15 -0.56 119.74 121.40 2k3u s LYS 61 Ca 0.00 -1.54 -0.18 0.00 -1.00 0.00 0.00 55.97 53.25 2k3u s LYS 61 Cb 0.00 0.46 0.04 0.00 -2.06 0.00 0.00 37.83 36.27 2k3u s LYS 61 CO 0.00 -0.73 0.47 0.00 0.10 0.00 0.00 175.35 175.19 2k3u s MET 62 N -3.41 1.19 -0.03 1.78 0.23 0.01 -1.11 119.30 117.96 2k3u s MET 62 Ca 0.27 -0.71 -0.01 0.00 -1.03 0.00 0.00 55.69 54.21 2k3u s MET 62 Cb -0.00 0.51 0.02 0.00 -1.53 0.00 0.00 34.83 33.82 2k3u s MET 62 CO 0.15 -0.49 0.06 0.54 -2.03 0.00 0.00 175.02 173.25 2k3u s VAL 63 N -3.81 -0.02 -0.08 5.16 0.11 0.39 -0.94 120.40 121.21 2k3u s VAL 63 Ca 0.04 0.08 0.04 0.00 -2.93 0.00 0.00 61.98 59.21 2k3u s VAL 63 Cb 0.01 -0.10 0.00 0.00 -1.53 0.00 0.00 36.38 34.76 2k3u s VAL 63 CO -0.10 0.03 -0.20 -0.63 -3.33 0.00 0.00 175.10 170.88 2k3u s ILE 64 N 0.47 1.70 -0.05 7.04 1.01 0.23 -0.57 121.20 131.03 2k3u s ILE 64 Ca -0.04 -0.83 0.05 0.00 0.00 0.00 0.00 60.65 59.84 2k3u s ILE 64 Cb -0.05 -1.48 -0.01 0.00 0.01 0.00 0.00 42.46 40.93 2k3u s ILE 64 CO -0.02 0.48 -0.22 -0.76 0.00 0.00 0.00 174.94 174.43 2k3u s LEU 65 N 0.32 2.00 0.38 2.97 1.43 -0.09 -1.13 118.68 124.57 2k3u s LEU 65 Ca -0.13 -0.45 0.04 0.00 -1.03 0.00 0.00 54.13 52.55 2k3u s LEU 65 Cb -0.16 -1.21 -0.04 0.00 0.03 0.00 0.00 46.19 44.81 2k3u s LEU 65 CO 0.06 0.20 0.07 0.42 0.23 0.00 0.00 176.35 177.33 2k3u s THR 66 N -0.05 1.01 0.95 5.49 -4.23 -0.86 -1.96 115.64 115.99 2k3u s THR 66 Ca -0.05 -2.00 -0.14 0.00 -1.18 0.00 0.00 61.69 58.33 2k3u s THR 66 Cb -0.13 -2.56 0.00 0.00 1.34 0.00 0.00 72.50 71.15 2k3u s THR 66 CO 0.03 0.00 0.22 -0.62 -0.54 0.00 0.00 174.62 173.71 2k3u n GLU 67 N -0.86 -0.22 -2.99 3.99 1.02 -0.86 -3.79 120.64 116.93 2k3u n GLU 67 Ca -0.06 -0.03 -0.20 0.00 -0.02 0.00 0.00 57.16 56.85 2k3u n GLU 67 Cb 0.66 -1.72 0.04 0.00 -0.02 0.00 0.00 31.44 30.40 2k3u n GLU 67 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 2k3u n ASN 68 N -0.50 -5.75 -1.22 1.62 3.02 -0.91 -3.30 115.26 108.23 2k3u n ASN 68 Ca 0.05 -0.28 -0.16 0.00 -0.03 0.00 0.00 54.58 54.17 2k3u n ASN 68 Cb 0.54 -4.56 -0.07 0.00 -0.61 0.00 0.00 39.78 35.08 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 -3.79 -1.36 -1.94 3.52 5.02 0.30 -4.87 118.16 115.04 2k3u n LYS 69 Ca -0.10 1.05 -0.40 0.00 -2.02 0.00 0.00 58.31 56.85 2k3u n LYS 69 Cb 0.61 -5.35 0.00 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 -2.69 2.93 -0.10 0.72 0.00 -1.21 -4.92 107.32 102.05 2k3u s GLY 70 Ca 0.00 1.35 -0.05 0.00 0.00 0.00 0.00 44.72 46.02 2k3u s GLY 70 CO 0.00 1.96 0.23 -0.47 0.00 0.00 0.00 173.10 174.81 2k3u s TYR 71 N -1.22 -0.30 -0.05 1.90 6.14 -1.26 -2.04 117.35 120.52 2k3u s TYR 71 Ca 0.58 0.73 -0.02 0.00 0.64 0.00 0.00 57.07 59.00 2k3u s TYR 71 Cb -0.41 0.01 0.04 0.00 0.42 0.00 0.00 41.96 42.02 2k3u s TYR 71 CO 0.53 -0.23 0.11 0.71 0.64 0.00 0.00 175.55 177.32 2k3u s TYR 72 N 1.31 -0.10 -0.05 4.97 2.02 -0.28 -4.98 117.35 120.23 2k3u s TYR 72 Ca -0.09 0.39 -0.03 0.00 -0.37 0.00 0.00 57.07 56.97 2k3u s TYR 72 Cb -0.11 -0.17 -0.04 0.00 -0.40 0.00 0.00 41.96 41.25 2k3u s TYR 72 CO -0.08 -0.16 0.12 -0.08 -1.57 0.00 0.00 175.55 173.78 2k3u s THR 73 N 1.32 5.15 -0.09 -0.71 -1.32 -1.26 -0.60 115.64 118.13 2k3u s THR 73 Ca -0.07 -0.11 -0.03 0.00 -1.21 0.00 0.00 61.69 60.26 2k3u s THR 73 Cb -0.12 -3.31 0.05 0.00 -1.51 0.00 0.00 72.50 67.60 2k3u s THR 73 CO -0.05 0.46 0.17 -0.69 -2.21 0.00 0.00 174.62 172.31 2k3u s VAL 74 N -1.14 -0.21 -0.14 5.08 1.01 -0.12 -5.00 120.40 119.88 2k3u s VAL 74 Ca 0.20 0.29 -0.29 0.00 0.00 0.00 0.00 61.98 62.18 2k3u s VAL 74 Cb -0.12 -0.30 -0.01 0.00 0.00 0.00 0.00 36.38 35.94 2k3u s VAL 74 CO 0.11 0.12 1.15 -0.31 0.00 0.00 0.00 175.10 176.17 2k3u s TYR 75 N 1.97 3.17 -0.05 5.22 1.51 -1.26 -0.81 117.35 127.10 2k3u s TYR 75 Ca -0.01 1.27 0.12 0.00 -1.01 0.00 0.00 57.07 57.44 2k3u s TYR 75 Cb -0.12 -3.37 -0.02 0.00 -0.11 0.00 0.00 41.96 38.34 2k3u s TYR 75 CO -0.06 -1.07 1.39 -0.07 -1.11 0.00 0.00 175.55 174.63 2k3u h LEU 76 N 8.93 0.00 -0.88 -1.29 3.38 -1.16 -3.38 115.31 120.92 2k3u h LEU 76 Ca -0.28 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.69 2k3u h LEU 76 Cb 1.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.87 2k3u h LEU 76 CO 0.93 0.68 0.00 -3.20 0.09 0.00 0.00 178.44 176.94 2k3u n ASN 77 N -3.28 0.61 -3.90 -0.43 5.15 -0.99 -4.68 115.26 107.74 2k3u n ASN 77 Ca 0.01 -1.40 -0.09 0.00 -0.60 0.00 0.00 54.58 52.50 2k3u n ASN 77 Cb 0.80 -0.31 -0.09 0.00 -0.53 0.00 0.00 39.78 39.66 2k3u n ASN 77 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 2k3u s THR 78 N -1.12 0.14 0.71 -0.44 -4.23 -1.26 -5.16 115.64 104.28 2k3u s THR 78 Ca 0.00 -1.15 -0.16 0.00 -1.18 0.00 0.00 61.69 59.20 2k3u s THR 78 Cb 0.00 -1.11 -0.00 0.00 1.34 0.00 0.00 72.50 72.73 2k3u s THR 78 CO 0.00 -0.64 0.93 -2.65 -0.54 0.00 0.00 174.62 171.73 2k3u n PRO 79 N 0.42 0.51 -1.66 3.99 -0.02 -1.26 -4.98 135.00 132.00 2k3u n PRO 79 Ca -0.17 0.23 -0.38 0.00 -2.02 0.00 0.00 63.50 61.15 2k3u n PRO 79 Cb 0.60 -2.19 0.05 0.00 -0.02 0.00 0.00 33.50 31.94 2k3u n PRO 79 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 2k3u n LEU 80 N -1.52 4.22 -4.55 2.45 7.94 -1.26 -5.05 117.00 119.23 2k3u n LEU 80 Ca 0.13 0.88 -0.33 0.00 -1.11 0.00 0.00 56.01 55.57 2k3u n LEU 80 Cb 0.49 -1.45 -0.12 0.00 0.53 0.00 0.00 43.42 42.88 2k3u n LEU 80 CO 0.49 -1.42 -0.40 0.00 -1.11 0.00 0.00 177.39 174.95 2k3u s ALA 81 N -1.42 2.88 -1.50 1.96 0.00 -1.26 -5.03 121.76 117.40 2k3u s ALA 81 Ca 0.74 -0.93 0.08 0.00 0.00 0.00 0.00 51.96 51.85 2k3u s ALA 81 Cb -0.43 -1.14 0.40 0.00 0.00 0.00 0.00 23.12 21.95 2k3u s ALA 81 CO 0.48 0.57 1.09 -0.85 0.00 0.00 0.00 175.76 177.05 2k3u n GLU 82 N 2.21 0.13 0.04 0.00 0.28 -1.26 -1.50 120.64 120.54 2k3u n GLU 82 Ca -0.18 0.19 -0.11 0.00 -0.16 0.00 0.00 57.16 56.90 2k3u n GLU 82 Cb 0.53 -1.50 -0.06 0.00 1.43 0.00 0.00 31.44 31.84 2k3u n GLU 82 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 177.13 176.53 2k3u h ASP 83 N 0.00 -0.14 0.19 -1.84 3.32 -2.00 -3.14 116.42 112.82 2k3u h ASP 83 Ca 0.00 0.03 -0.09 0.00 0.02 0.00 0.00 57.03 56.98 2k3u h ASP 83 Cb 0.06 0.07 -0.01 0.00 0.22 0.00 0.00 39.33 39.67 2k3u h ASP 83 CO 0.00 -0.07 -0.35 0.03 -1.72 0.00 0.00 179.24 177.13 2k3u h ARG 84 N -0.07 0.23 0.00 3.56 3.08 -1.66 -2.18 114.38 117.34 2k3u h ARG 84 Ca 0.03 -0.10 0.00 0.00 0.07 0.00 0.00 59.98 59.98 2k3u h ARG 84 Cb 0.11 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.15 2k3u h ARG 84 CO -0.07 0.56 0.00 0.87 -1.07 0.00 0.00 179.97 180.26 2k3u h LYS 85 N 0.20 0.00 0.00 0.04 1.57 -1.55 0.15 116.57 116.98 2k3u h LYS 85 Ca 0.02 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 2k3u h LYS 85 Cb 0.72 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.03 2k3u h LYS 85 CO 0.05 0.00 -0.33 0.09 -0.57 0.00 0.00 179.45 178.69 2k3u n ASN 86 N -2.78 1.67 -4.74 0.86 3.02 -0.98 -4.66 115.26 107.65 2k3u n ASN 86 Ca -0.02 -0.18 -0.41 0.00 -0.03 0.00 0.00 54.58 53.93 2k3u n ASN 86 Cb 0.09 0.70 -0.03 0.00 -0.61 0.00 0.00 39.78 39.93 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 -1.04 3.04 -0.18 2.41 0.11 -0.86 -5.02 120.40 118.86 2k3u s VAL 87 Ca 0.00 0.87 -0.20 0.00 -2.93 0.00 0.00 61.98 59.72 2k3u s VAL 87 Cb 0.00 -3.56 -0.03 0.00 -1.53 0.00 0.00 36.38 31.26 2k3u s VAL 87 CO 0.00 0.14 0.58 -1.61 -3.33 0.00 0.00 175.10 170.87 2k3u s GLU 88 N -0.31 4.24 0.16 1.54 2.02 -1.26 -3.71 118.70 121.38 2k3u s GLU 88 Ca 0.57 0.54 -0.32 0.00 0.02 0.00 0.00 54.97 55.78 2k3u s GLU 88 Cb -0.38 -3.54 -0.10 0.00 0.10 0.00 0.00 34.13 30.21 2k3u s GLU 88 CO 0.40 -0.13 1.60 -0.51 0.02 0.00 0.00 175.26 176.64 2k3u s LEU 89 N 1.56 4.37 0.57 1.80 1.43 -0.11 -4.91 118.68 123.39 2k3u s LEU 89 Ca 0.27 2.64 0.27 0.00 -1.03 0.00 0.00 54.13 56.28 2k3u s LEU 89 Cb -0.16 -3.59 1.52 0.00 0.03 0.00 0.00 46.19 43.99 2k3u s LEU 89 CO 0.11 -0.85 2.04 -0.07 0.23 0.00 0.00 176.35 177.80 2k3u h LEU 90 N 6.99 0.00 0.00 1.79 3.38 -1.91 -3.46 115.31 122.09 2k3u h LEU 90 Ca -0.43 0.00 0.16 0.00 0.09 0.00 0.00 57.88 57.70 2k3u h LEU 90 Cb 1.20 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.93 2k3u h LEU 90 CO 0.92 0.00 0.46 0.61 0.09 0.00 0.00 178.44 180.53 2k3u n GLY 91 N -1.50 0.63 3.77 0.83 0.00 -1.22 -4.64 105.19 103.05 2k3u n GLY 91 Ca 0.05 -1.02 -0.34 0.00 0.00 0.00 0.00 46.02 44.71 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 2.89 -0.75 1.61 2.47 -1.26 -4.45 119.74 118.22 2k3u s LYS 92 Ca 0.17 1.49 -0.16 0.00 -1.56 0.00 0.00 55.97 55.91 2k3u s LYS 92 Cb -0.01 -1.95 -0.12 0.00 -1.46 0.00 0.00 37.83 34.28 2k3u s LYS 92 CO 0.02 -1.20 1.93 -0.12 0.16 0.00 0.00 175.35 176.14 2k3u n MET 93 N -2.14 1.57 -0.33 4.03 0.00 -0.62 -2.04 117.12 117.59 2k3u n MET 93 Ca 0.11 -1.60 -0.01 0.00 0.00 0.00 0.00 57.70 56.19 2k3u n MET 93 Cb 0.51 -2.69 0.15 0.00 0.00 0.00 0.00 33.22 31.19 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 7.43 1.17 -3.33 1.12 3.20 -1.20 -3.13 116.97 122.23 2k3u h TYR 94 Ca 0.42 0.02 -0.13 0.00 3.14 0.00 0.00 58.73 62.19 2k3u h TYR 94 Cb 0.46 -0.39 -0.20 0.00 1.54 0.00 0.00 36.73 38.14 2k3u h TYR 94 CO 1.53 0.75 -0.38 0.15 -1.64 0.00 0.00 178.16 178.56 2k3u s LYS 95 N -6.01 0.61 0.03 1.82 -0.14 -0.83 -1.88 119.74 113.34 2k3u s LYS 95 Ca -0.12 -0.37 0.01 0.00 -1.36 0.00 0.00 55.97 54.13 2k3u s LYS 95 Cb 0.18 0.26 -0.02 0.00 -1.68 0.00 0.00 37.83 36.57 2k3u s LYS 95 CO 0.81 -0.16 -0.05 0.99 -0.76 0.00 0.00 175.35 176.17 2k3u s THR 96 N -1.64 0.33 0.03 2.17 2.01 -0.07 -0.91 115.64 117.55 2k3u s THR 96 Ca -0.12 -1.08 0.04 0.00 0.31 0.00 0.00 61.69 60.84 2k3u s THR 96 Cb -0.05 -0.54 -0.02 0.00 0.01 0.00 0.00 72.50 71.90 2k3u s THR 96 CO 0.01 -0.49 -0.13 -0.31 -0.69 0.00 0.00 174.62 173.01 2k3u s TYR 97 N -1.66 1.12 0.01 4.92 1.51 0.27 -0.85 117.35 122.67 2k3u s TYR 97 Ca -0.11 -0.34 0.01 0.00 -1.01 0.00 0.00 57.07 55.62 2k3u s TYR 97 Cb -0.08 -0.67 -0.01 0.00 -0.11 0.00 0.00 41.96 41.08 2k3u s TYR 97 CO -0.01 0.02 -0.03 -0.06 -1.11 0.00 0.00 175.55 174.35 2k3u s PHE 98 N -0.80 0.30 -0.04 2.71 0.40 0.48 -0.46 117.98 120.58 2k3u s PHE 98 Ca 0.01 -0.28 0.02 0.00 -0.60 0.00 0.00 56.93 56.07 2k3u s PHE 98 Cb -0.07 -0.20 0.01 0.00 0.51 0.00 0.00 43.02 43.27 2k3u s PHE 98 CO 0.01 -0.08 -0.08 -0.06 0.70 0.00 0.00 175.22 175.71 2k3u s PHE 99 N -0.76 0.97 1.01 0.36 0.40 -0.27 -0.86 117.98 118.83 2k3u s PHE 99 Ca -0.07 -0.29 -0.12 0.00 -0.60 0.00 0.00 56.93 55.85 2k3u s PHE 99 Cb -0.06 -0.75 0.19 0.00 0.51 0.00 0.00 43.02 42.92 2k3u s PHE 99 CO -0.00 -0.17 1.09 0.15 0.70 0.00 0.00 175.22 176.98 2k3u s LYS 100 N 0.59 0.33 0.00 0.44 1.02 -1.26 -1.00 119.74 119.86 2k3u s LYS 100 Ca -0.09 0.54 0.00 0.00 0.02 0.00 0.00 55.97 56.43 2k3u s LYS 100 Cb -0.13 -1.72 0.00 0.00 -0.52 0.00 0.00 37.83 35.46 2k3u s LYS 100 CO 0.01 -2.80 0.17 0.36 -0.92 0.00 0.00 175.35 172.16 2k3u n LYS 101 N -4.23 0.00 0.00 1.68 2.85 0.16 -3.05 118.16 115.57 2k3u n LYS 101 Ca 0.05 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.31 2k3u n LYS 101 Cb 0.57 -1.45 0.00 0.00 -0.65 0.00 0.00 35.03 33.50 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 2.29 0.00 3.12 2.58 0.00 -1.26 -5.10 105.19 106.82 2k3u n GLY 102 Ca 0.00 0.00 -0.09 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 0.70 0.00 1.61 2.02 -1.17 -5.05 118.70 116.81 2k3u s GLU 103 Ca 0.00 -1.25 0.00 0.00 0.02 0.00 0.00 54.97 53.74 2k3u s GLU 103 Cb 0.00 0.02 0.00 0.00 0.10 0.00 0.00 34.13 34.25 2k3u s GLU 103 CO 0.00 -0.07 0.04 -1.13 0.02 0.00 0.00 175.26 174.13 2k3u n SER 104 N 0.10 0.08 -3.77 -0.19 3.41 -1.26 -4.94 113.62 107.05 2k3u n SER 104 Ca -0.14 -0.86 -0.16 0.00 -0.26 0.00 0.00 58.87 57.45 2k3u n SER 104 Cb 0.61 0.01 -0.16 0.00 -0.26 0.00 0.00 64.21 64.41 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 -0.01 0.07 0.84 4.33 2.20 -1.26 -5.16 119.74 120.75 2k3u s LYS 105 Ca 0.00 0.18 -0.13 0.00 -0.36 0.00 0.00 55.97 55.66 2k3u s LYS 105 Cb 0.00 -0.37 0.09 0.00 -1.51 0.00 0.00 37.83 36.03 2k3u s LYS 105 CO 0.00 -0.18 1.07 -1.13 -0.36 0.00 0.00 175.35 174.74 2k3u n SER 106 N 4.35 0.42 0.00 1.43 3.41 -1.26 -4.95 113.62 117.01 2k3u n SER 106 Ca -0.24 0.53 0.00 0.00 -0.26 0.00 0.00 58.87 58.90 2k3u n SER 106 Cb 0.50 -1.45 0.00 0.00 -0.26 0.00 0.00 64.21 63.00 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 -3.10 3.61 -4.28 4.04 2.88 -0.04 -4.95 113.62 111.78 2k3u n SER 107 Ca 0.12 -0.12 -0.21 0.00 -1.33 0.00 0.00 58.87 57.34 2k3u n SER 107 Cb 0.51 0.97 -0.11 0.00 -0.75 0.00 0.00 64.21 64.82 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 -1.69 1.61 -0.10 0.66 5.04 -1.01 -5.02 117.35 116.84 2k3u s TYR 108 Ca 0.00 -0.49 -0.28 0.00 -2.44 0.00 0.00 57.07 53.86 2k3u s TYR 108 Cb 0.00 -0.84 0.07 0.00 0.35 0.00 0.00 41.96 41.54 2k3u s TYR 108 CO 0.00 0.21 0.66 0.54 -1.34 0.00 0.00 175.55 175.62 2k3u s VAL 109 N -1.84 0.00 -0.05 3.14 0.11 -1.26 -0.38 120.40 120.12 2k3u s VAL 109 Ca 0.10 -0.03 -0.02 0.00 -2.93 0.00 0.00 61.98 59.10 2k3u s VAL 109 Cb -0.07 -0.96 0.04 0.00 -1.53 0.00 0.00 36.38 33.86 2k3u s VAL 109 CO 0.04 -0.02 0.09 -0.63 -3.33 0.00 0.00 175.10 171.26 2k3u s ILE 110 N -0.82 -0.12 0.41 7.04 1.01 -0.03 -4.99 121.20 123.70 2k3u s ILE 110 Ca -0.08 0.32 -0.13 0.00 0.00 0.00 0.00 60.65 60.75 2k3u s ILE 110 Cb -0.02 -0.18 -0.07 0.00 0.01 0.00 0.00 42.46 42.20 2k3u s ILE 110 CO 0.07 0.13 0.82 0.20 0.00 0.00 0.00 174.94 176.17 2k3u s ASN 111 N 1.76 6.61 0.10 3.58 -0.87 -1.26 -0.89 114.94 123.97 2k3u s ASN 111 Ca -0.01 1.28 -0.06 0.00 -1.57 0.00 0.00 52.86 52.50 2k3u s ASN 111 Cb -0.12 -2.38 0.02 0.00 -0.02 0.00 0.00 41.25 38.75 2k3u s ASN 111 CO -0.04 -0.40 0.30 0.61 -2.57 0.00 0.00 177.10 174.99 2k3u n GLY 112 N -1.16 1.42 3.76 0.66 0.00 -0.79 -4.92 105.19 104.16 2k3u n GLY 112 Ca 0.04 -1.05 -0.40 0.00 0.00 0.00 0.00 46.02 44.60 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 -2.02 4.54 0.00 1.61 0.04 -1.19 -4.26 135.00 133.72 2k3u s PRO 113 Ca 0.06 1.93 0.00 0.00 0.04 0.00 0.00 61.00 63.03 2k3u s PRO 113 Cb -0.01 -3.14 0.00 0.00 0.04 0.00 0.00 34.50 31.38 2k3u s PRO 113 CO 0.03 0.08 0.00 0.41 0.04 0.00 0.00 177.00 177.56 2k3u n GLY 114 N 1.06 0.55 4.99 0.56 0.00 -1.26 -1.59 105.19 109.50 2k3u n GLY 114 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 2k3u n GLY 114 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2k3u n LYS 115 N 0.00 0.00 -3.56 1.61 5.02 -1.26 -4.69 118.16 115.28 2k3u n LYS 115 Ca 0.00 0.00 -0.17 0.00 -2.02 0.00 0.00 58.31 56.12 2k3u n LYS 115 Cb 0.00 -1.28 -0.06 0.00 -0.02 0.00 0.00 35.03 33.66 2k3u n LYS 115 CO 0.00 0.00 0.00 -0.08 -0.52 0.00 0.00 177.40 176.80 2k3u s THR 116 N 0.00 0.00 -0.32 -0.18 -1.32 -1.26 -5.04 115.64 107.52 2k3u s THR 116 Ca 0.00 0.00 0.27 0.00 -1.21 0.00 0.00 61.69 60.75 2k3u s THR 116 Cb 0.00 -1.00 0.34 0.00 -1.51 0.00 0.00 72.50 70.33 2k3u s THR 116 CO 0.00 0.00 1.75 0.78 -2.21 0.00 0.00 174.62 174.94 2k3u h ASN 117 N 3.66 0.00 -0.33 8.08 4.21 -1.86 -3.34 115.58 126.00 2k3u h ASN 117 Ca -0.28 0.00 -0.24 0.00 1.21 0.00 0.00 56.30 57.00 2k3u h ASN 117 Cb 1.15 0.00 -0.09 0.00 -1.12 0.00 0.00 38.32 38.26 2k3u h ASN 117 CO 0.28 0.00 0.02 -0.62 -1.29 0.00 0.00 177.43 175.82 2k3u n GLU 118 N -2.91 1.82 -2.27 0.81 1.02 -1.26 -0.54 120.64 117.31 2k3u n GLU 118 Ca 0.03 -1.17 -0.03 0.00 -0.02 0.00 0.00 57.16 55.98 2k3u n GLU 118 Cb 0.42 -1.73 -0.02 0.00 -0.02 0.00 0.00 31.44 30.10 2k3u n GLU 118 CO 0.00 0.00 0.00 0.98 1.18 0.00 0.00 177.13 179.29 2k3u n TYR 119 N 1.51 -2.98 -1.26 -0.32 4.19 -1.26 -4.92 117.16 112.12 2k3u n TYR 119 Ca 0.32 1.61 0.00 0.00 3.31 0.00 0.00 57.90 63.14 2k3u n TYR 119 Cb 0.68 -3.19 0.00 0.00 0.49 0.00 0.00 39.34 37.32 2k3u n TYR 119 CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77 2k3u n ALA 120 N 0.94 1.43 -1.46 2.98 0.00 -1.26 -4.89 120.51 118.24 2k3u n ALA 120 Ca -0.20 -0.77 0.00 0.00 0.00 0.00 0.00 53.44 52.48 2k3u n ALA 120 Cb 0.31 -0.17 0.00 0.00 0.00 0.00 0.00 19.45 19.58 2k3u n ALA 120 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48