#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 -3.16 6.41 7.64 -1.26 -5.08 113.62 118.17 2k3u n SER 32 Ca 0.00 -1.34 0.03 0.00 1.01 0.00 0.00 58.87 58.57 2k3u n SER 32 Cb 0.00 -0.07 -0.01 0.00 -1.01 0.00 0.00 64.21 63.13 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 -0.34 -1.19 0.09 0.23 0.00 -1.26 -5.16 107.32 99.70 2k3u s GLY 33 Ca 0.00 1.09 -0.07 0.00 0.00 0.00 0.00 44.72 45.74 2k3u s GLY 33 CO 0.00 3.61 0.15 1.08 0.00 0.00 0.00 173.10 177.94 2k3u s LEU 34 N 2.81 1.60 0.00 0.66 1.43 -1.26 -4.73 118.68 119.20 2k3u s LEU 34 Ca 0.11 -0.80 0.00 0.00 -1.03 0.00 0.00 54.13 52.41 2k3u s LEU 34 Cb -0.11 0.83 0.00 0.00 0.03 0.00 0.00 46.19 46.95 2k3u s LEU 34 CO -0.26 -0.73 0.00 -0.81 0.23 0.00 0.00 176.35 174.79 2k3u n PRO 35 N -0.05 0.69 0.00 1.29 -0.04 -1.26 -5.03 135.00 130.59 2k3u n PRO 35 Ca -0.13 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.33 2k3u n PRO 35 Cb 0.62 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.08 2k3u n PRO 35 CO 0.00 0.00 0.00 -2.37 -0.04 0.00 0.00 175.50 173.09 2k3u n THR 36 N -0.71 0.00 -3.82 0.52 5.66 -1.26 -4.85 114.28 109.81 2k3u n THR 36 Ca 0.00 0.00 -0.14 0.00 -3.05 0.00 0.00 64.05 60.86 2k3u n THR 36 Cb 0.00 0.00 -0.15 0.00 -1.55 0.00 0.00 70.33 68.63 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 -0.97 -0.02 0.35 1.09 -4.23 -1.26 -1.01 115.64 109.59 2k3u s THR 37 Ca 0.00 0.11 0.03 0.00 -1.18 0.00 0.00 61.69 60.65 2k3u s THR 37 Cb 0.00 -0.05 0.27 0.00 1.34 0.00 0.00 72.50 74.06 2k3u s THR 37 CO 0.00 0.05 1.99 0.25 -0.54 0.00 0.00 174.62 176.37 2k3u h LEU 38 N 6.72 0.73 -1.41 4.79 6.46 -1.64 -2.63 115.31 128.32 2k3u h LEU 38 Ca -0.35 -0.01 0.19 0.00 -0.12 0.00 0.00 57.88 57.59 2k3u h LEU 38 Cb 1.17 -0.17 -0.07 0.00 -0.73 0.00 0.00 40.66 40.85 2k3u h LEU 38 CO 0.50 0.51 0.59 1.23 -0.62 0.00 0.00 178.44 180.65 2k3u h GLY 39 N 0.85 1.04 0.88 3.75 0.00 -1.54 0.13 103.07 108.18 2k3u h GLY 39 Ca 0.27 -0.23 -0.12 0.00 0.00 0.00 0.00 47.33 47.25 2k3u h GLY 39 CO -0.07 0.00 -0.34 0.50 0.00 0.00 0.00 176.54 176.63 2k3u h LYS 40 N 0.50 0.56 -0.62 4.80 1.57 -1.70 -2.94 116.57 118.73 2k3u h LYS 40 Ca 0.48 -0.35 -0.09 0.00 -1.87 0.00 0.00 60.65 58.81 2k3u h LYS 40 Cb 1.06 0.04 -0.02 0.00 0.08 0.00 0.00 32.23 33.39 2k3u h LYS 40 CO -0.21 0.96 0.02 1.25 -0.57 0.00 0.00 179.45 180.91 2k3u h LEU 41 N 0.22 1.05 -1.10 2.94 5.85 -1.40 -2.99 115.31 119.87 2k3u h LEU 41 Ca 0.01 -0.29 0.09 0.00 0.84 0.00 0.00 57.88 58.54 2k3u h LEU 41 Cb 0.94 -0.28 -0.07 0.00 0.37 0.00 0.00 40.66 41.62 2k3u h LEU 41 CO 0.08 1.08 0.61 -0.78 -0.34 0.00 0.00 178.44 179.09 2k3u h ASP 42 N 0.98 0.90 -0.53 1.25 1.82 -0.81 0.62 116.42 120.66 2k3u h ASP 42 Ca 0.18 0.03 -0.06 0.00 -0.39 0.00 0.00 57.03 56.79 2k3u h ASP 42 Cb 0.53 -0.16 -0.02 0.00 0.68 0.00 0.00 39.33 40.36 2k3u h ASP 42 CO 0.03 0.53 0.11 -0.08 -1.61 0.00 0.00 179.24 178.21 2k3u h GLU 43 N 0.99 0.86 -0.18 0.28 4.81 -1.38 -0.20 114.58 119.75 2k3u h GLU 43 Ca 0.44 -0.22 -0.00 0.00 -0.13 0.00 0.00 59.36 59.45 2k3u h GLU 43 Cb 0.36 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.63 2k3u h GLU 43 CO -0.20 0.83 0.11 0.00 -0.73 0.00 0.00 179.01 179.02 2k3u h ARG 44 N 0.75 0.25 -0.18 1.92 3.08 -1.20 -2.36 114.38 116.64 2k3u h ARG 44 Ca 0.16 -0.03 -0.13 0.00 0.07 0.00 0.00 59.98 60.05 2k3u h ARG 44 Cb 0.37 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.36 2k3u h ARG 44 CO 0.01 0.23 -0.45 -0.07 -1.07 0.00 0.00 179.97 178.61 2k3u h LEU 45 N 0.20 0.47 -1.36 3.04 3.38 -0.75 0.19 115.31 120.49 2k3u h LEU 45 Ca 0.07 -0.22 -0.07 0.00 0.09 0.00 0.00 57.88 57.75 2k3u h LEU 45 Cb 0.05 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 2k3u h LEU 45 CO -0.01 0.86 -0.32 0.03 0.09 0.00 0.00 178.44 179.09 2k3u h ARG 46 N 0.35 0.00 -0.15 1.13 3.08 -1.07 -2.63 114.38 115.10 2k3u h ARG 46 Ca 0.02 -0.00 -0.07 0.00 0.07 0.00 0.00 59.98 60.00 2k3u h ARG 46 Cb 0.94 -0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.99 2k3u h ARG 46 CO 0.08 0.32 -0.19 -0.91 -1.07 0.00 0.00 179.97 178.21 2k3u h ASN 47 N 0.00 0.43 -0.96 7.04 2.35 -0.82 -3.31 115.58 120.32 2k3u h ASN 47 Ca -0.00 -0.50 0.10 0.00 -0.55 0.00 0.00 56.30 55.35 2k3u h ASN 47 Cb 0.57 -0.12 -0.08 0.00 0.05 0.00 0.00 38.32 38.74 2k3u h ASN 47 CO 0.04 0.84 0.59 1.88 -1.65 0.00 0.00 177.43 179.14 2k3u h TYR 48 N 0.02 1.08 -0.46 1.19 0.05 -0.28 0.22 116.97 118.79 2k3u h TYR 48 Ca 0.02 0.03 -0.07 0.00 0.05 0.00 0.00 58.73 58.76 2k3u h TYR 48 Cb 0.74 -0.34 -0.02 0.00 1.01 0.00 0.00 36.73 38.12 2k3u h TYR 48 CO 0.09 0.46 0.02 -0.07 -1.05 0.00 0.00 178.16 177.60 2k3u h LEU 49 N 0.97 0.77 -0.28 3.88 3.38 -1.65 -0.83 115.31 121.55 2k3u h LEU 49 Ca 0.46 -0.30 -0.09 0.00 0.09 0.00 0.00 57.88 58.04 2k3u h LEU 49 Cb 0.40 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 2k3u h LEU 49 CO -0.24 0.88 -0.18 0.11 0.09 0.00 0.00 178.44 179.10 2k3u h LYS 50 N 0.64 0.62 0.00 1.13 1.57 -1.38 0.87 116.57 120.03 2k3u h LYS 50 Ca 0.13 -0.29 -0.01 0.00 -1.87 0.00 0.00 60.65 58.61 2k3u h LYS 50 Cb 0.47 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.77 2k3u h LYS 50 CO 0.02 0.87 -0.04 0.87 -0.57 0.00 0.00 179.45 180.60 2k3u h LYS 51 N 0.36 0.00 0.00 3.15 1.57 -1.05 -3.40 116.57 117.20 2k3u h LYS 51 Ca 0.06 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 2k3u h LYS 51 Cb 0.71 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.02 2k3u h LYS 51 CO 0.05 0.04 -1.00 0.41 -0.57 0.00 0.00 179.45 178.38 2k3u n GLY 52 N -0.47 0.00 3.91 3.86 0.00 -0.32 -5.06 105.19 107.11 2k3u n GLY 52 Ca -0.01 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.00 4.94 0.24 2.61 -4.23 0.28 -5.02 115.64 112.46 2k3u s THR 53 Ca 0.00 0.12 0.04 0.00 -1.18 0.00 0.00 61.69 60.67 2k3u s THR 53 Cb 0.00 -3.84 -0.02 0.00 1.34 0.00 0.00 72.50 69.97 2k3u s THR 53 CO 0.00 -0.73 1.59 0.11 -0.54 0.00 0.00 174.62 175.05 2k3u h LYS 54 N 0.53 0.29 -2.60 3.99 1.79 -1.92 -3.43 116.57 115.22 2k3u h LYS 54 Ca -0.47 -0.18 -0.19 0.00 -2.18 0.00 0.00 60.65 57.63 2k3u h LYS 54 Cb 1.20 0.02 -0.31 0.00 -1.58 0.00 0.00 32.23 31.56 2k3u h LYS 54 CO 0.62 0.76 -0.49 1.21 -1.08 0.00 0.00 179.45 180.47 2k3u s ASN 55 N -6.89 0.29 0.36 0.86 2.47 -1.26 -5.05 114.94 105.72 2k3u s ASN 55 Ca -0.05 0.56 0.18 0.00 0.42 0.00 0.00 52.86 53.97 2k3u s ASN 55 Cb 0.12 0.89 0.61 0.00 -1.45 0.00 0.00 41.25 41.42 2k3u s ASN 55 CO 0.80 -0.26 1.70 0.77 -3.72 0.00 0.00 177.10 176.40 2k3u h SER 56 N 8.25 0.00 0.00 -4.21 4.64 -1.83 -3.37 113.55 117.03 2k3u h SER 56 Ca -0.16 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.16 2k3u h SER 56 Cb 1.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.21 2k3u h SER 56 CO 0.16 0.40 0.00 0.00 -0.87 0.00 0.00 176.83 176.53 2k3u n ALA 57 N -2.30 2.21 0.07 5.18 0.00 -1.26 -1.72 120.51 122.69 2k3u n ALA 57 Ca -0.00 -0.06 0.11 0.00 0.00 0.00 0.00 53.44 53.49 2k3u n ALA 57 Cb 0.53 -1.16 -0.11 0.00 0.00 0.00 0.00 19.45 18.71 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 -0.73 0.61 -2.62 0.00 10.64 -1.26 -4.99 117.38 119.03 2k3u n GLN 58 Ca 0.07 -0.10 -0.34 0.00 -1.83 0.00 0.00 57.00 54.81 2k3u n GLN 58 Cb 0.03 -1.61 -0.04 0.00 -0.86 0.00 0.00 30.24 27.76 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 -3.45 3.09 0.00 2.61 0.08 -0.70 -0.62 117.98 118.99 2k3u s PHE 59 Ca -0.05 1.59 0.00 0.00 0.12 0.00 0.00 56.93 58.59 2k3u s PHE 59 Cb 0.13 -3.01 0.00 0.00 -0.57 0.00 0.00 43.02 39.57 2k3u s PHE 59 CO 0.87 -0.62 0.00 -0.85 -0.10 0.00 0.00 175.22 174.52 2k3u n GLU 60 N -0.84 3.48 -3.86 0.44 0.28 0.10 -4.69 120.64 115.55 2k3u n GLU 60 Ca 0.08 0.00 -0.09 0.00 -0.16 0.00 0.00 57.16 57.00 2k3u n GLU 60 Cb 0.53 -0.96 -0.04 0.00 1.43 0.00 0.00 31.44 32.40 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 -1.92 1.57 0.06 3.44 -2.85 -1.25 0.10 119.74 118.91 2k3u s LYS 61 Ca 0.00 -1.03 0.01 0.00 -1.00 0.00 0.00 55.97 53.95 2k3u s LYS 61 Cb 0.00 0.53 -0.03 0.00 -2.06 0.00 0.00 37.83 36.27 2k3u s LYS 61 CO 0.00 -0.68 -0.06 0.00 0.10 0.00 0.00 175.35 174.70 2k3u s MET 62 N -3.94 0.64 -0.04 1.78 0.23 -0.26 -2.10 119.30 115.61 2k3u s MET 62 Ca 0.14 -1.04 -0.00 0.00 -1.03 0.00 0.00 55.69 53.76 2k3u s MET 62 Cb -0.03 -0.16 0.03 0.00 -1.53 0.00 0.00 34.83 33.14 2k3u s MET 62 CO 0.04 -0.01 0.02 0.54 -2.03 0.00 0.00 175.02 173.58 2k3u s VAL 63 N -2.62 0.13 -0.13 5.16 0.11 0.19 -1.03 120.40 122.21 2k3u s VAL 63 Ca 0.00 0.18 -0.04 0.00 -2.93 0.00 0.00 61.98 59.20 2k3u s VAL 63 Cb -0.02 -0.27 -0.03 0.00 -1.53 0.00 0.00 36.38 34.53 2k3u s VAL 63 CO -0.03 0.17 0.02 -0.63 -3.33 0.00 0.00 175.10 171.29 2k3u s ILE 64 N 1.45 4.41 -0.15 7.04 1.09 -0.13 -1.08 121.20 133.82 2k3u s ILE 64 Ca -0.04 -0.19 0.01 0.00 -1.10 0.00 0.00 60.65 59.32 2k3u s ILE 64 Cb -0.13 -2.91 -0.00 0.00 -1.06 0.00 0.00 42.46 38.36 2k3u s ILE 64 CO -0.03 0.55 -0.16 -0.76 -0.10 0.00 0.00 174.94 174.44 2k3u s LEU 65 N -0.33 2.44 0.44 2.97 1.43 -0.08 -1.62 118.68 123.94 2k3u s LEU 65 Ca 0.07 -0.48 0.06 0.00 -1.03 0.00 0.00 54.13 52.75 2k3u s LEU 65 Cb -0.12 -1.55 -0.05 0.00 0.03 0.00 0.00 46.19 44.49 2k3u s LEU 65 CO 0.02 0.09 0.06 0.42 0.23 0.00 0.00 176.35 177.17 2k3u s THR 66 N 0.79 1.84 1.13 5.49 -4.23 -0.87 -1.98 115.64 117.82 2k3u s THR 66 Ca -0.06 -1.92 -0.17 0.00 -1.18 0.00 0.00 61.69 58.36 2k3u s THR 66 Cb -0.15 -2.76 0.15 0.00 1.34 0.00 0.00 72.50 71.08 2k3u s THR 66 CO 0.00 0.00 0.28 -0.62 -0.54 0.00 0.00 174.62 173.74 2k3u n GLU 67 N -1.13 -1.81 -2.63 3.99 1.02 -1.00 -3.60 120.64 115.48 2k3u n GLU 67 Ca -0.07 -0.51 -0.17 0.00 -0.02 0.00 0.00 57.16 56.39 2k3u n GLU 67 Cb 0.66 -1.83 -0.00 0.00 -0.02 0.00 0.00 31.44 30.26 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 -2.54 -4.52 -0.75 1.62 3.02 -0.60 -3.16 115.26 108.33 2k3u n ASN 68 Ca 0.01 0.01 -0.10 0.00 -0.03 0.00 0.00 54.58 54.48 2k3u n ASN 68 Cb 0.60 -3.78 -0.04 0.00 -0.61 0.00 0.00 39.78 35.95 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 -3.12 -1.06 -2.13 3.52 5.02 0.28 -4.91 118.16 115.75 2k3u n LYS 69 Ca -0.14 0.80 -0.35 0.00 -2.02 0.00 0.00 58.31 56.59 2k3u n LYS 69 Cb 0.62 -4.85 0.01 0.00 -0.02 0.00 0.00 35.03 30.79 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 -2.61 2.58 -0.14 0.72 0.00 -1.19 -4.91 107.32 101.78 2k3u s GLY 70 Ca 0.00 0.81 -0.07 0.00 0.00 0.00 0.00 44.72 45.46 2k3u s GLY 70 CO 0.00 1.18 0.33 -0.47 0.00 0.00 0.00 173.10 174.13 2k3u s TYR 71 N -1.83 -0.45 -0.12 1.90 6.14 -1.26 -2.05 117.35 119.67 2k3u s TYR 71 Ca 0.73 1.02 -0.05 0.00 0.64 0.00 0.00 57.07 59.41 2k3u s TYR 71 Cb -0.24 0.15 0.06 0.00 0.42 0.00 0.00 41.96 42.35 2k3u s TYR 71 CO 0.30 -0.28 0.25 0.71 0.64 0.00 0.00 175.55 177.18 2k3u s TYR 72 N 1.24 -0.39 -0.09 4.97 1.51 -0.64 -4.99 117.35 118.96 2k3u s TYR 72 Ca -0.09 0.93 0.01 0.00 -1.01 0.00 0.00 57.07 56.91 2k3u s TYR 72 Cb -0.09 -0.05 -0.02 0.00 -0.11 0.00 0.00 41.96 41.69 2k3u s TYR 72 CO -0.10 -0.34 -0.12 -0.08 -1.11 0.00 0.00 175.55 173.81 2k3u s THR 73 N 2.31 3.21 -0.10 -0.71 -1.32 -1.26 -0.96 115.64 116.81 2k3u s THR 73 Ca 0.00 -0.64 -0.04 0.00 -1.21 0.00 0.00 61.69 59.81 2k3u s THR 73 Cb -0.12 -2.32 0.05 0.00 -1.51 0.00 0.00 72.50 68.61 2k3u s THR 73 CO -0.08 0.56 0.21 -0.69 -2.21 0.00 0.00 174.62 172.41 2k3u s VAL 74 N -0.19 -0.19 0.31 5.08 1.01 -0.20 -5.01 120.40 121.22 2k3u s VAL 74 Ca 0.01 0.23 -0.29 0.00 0.00 0.00 0.00 61.98 61.93 2k3u s VAL 74 Cb -0.13 -0.35 -0.10 0.00 0.00 0.00 0.00 36.38 35.80 2k3u s VAL 74 CO 0.03 0.10 1.17 -0.31 0.00 0.00 0.00 175.10 176.09 2k3u s TYR 75 N 1.76 3.34 -0.35 5.22 1.51 -1.26 -1.10 117.35 126.47 2k3u s TYR 75 Ca -0.04 1.59 0.18 0.00 -1.01 0.00 0.00 57.07 57.79 2k3u s TYR 75 Cb -0.11 -3.42 -0.24 0.00 -0.11 0.00 0.00 41.96 38.07 2k3u s TYR 75 CO -0.07 -1.06 0.54 1.28 -1.11 0.00 0.00 175.55 175.12 2k3u n LEU 76 N 0.91 0.34 0.00 -1.29 4.77 0.12 -4.25 117.00 117.59 2k3u n LEU 76 Ca -0.00 -0.20 0.08 0.00 -0.03 0.00 0.00 56.01 55.86 2k3u n LEU 76 Cb 0.44 0.00 0.47 0.00 -2.33 0.00 0.00 43.42 42.00 2k3u n LEU 76 CO 0.55 0.08 0.71 -3.20 -1.33 0.00 0.00 177.39 174.21 2k3u n ASN 77 N -1.83 0.00 -4.05 -1.43 5.15 -1.17 -4.64 115.26 107.29 2k3u n ASN 77 Ca -0.01 -0.31 -0.10 0.00 -0.60 0.00 0.00 54.58 53.56 2k3u n ASN 77 Cb 0.39 -0.11 -0.11 0.00 -0.53 0.00 0.00 39.78 39.42 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 -2.21 0.33 0.65 -0.44 -4.23 -1.26 -5.16 115.64 103.32 2k3u s THR 78 Ca 0.22 -1.24 -0.18 0.00 -1.18 0.00 0.00 61.69 59.31 2k3u s THR 78 Cb 0.11 -0.75 -0.01 0.00 1.34 0.00 0.00 72.50 73.18 2k3u s THR 78 CO 0.21 -0.59 1.25 -2.65 -0.54 0.00 0.00 174.62 172.30 2k3u n PRO 79 N 1.11 1.08 -2.29 3.99 -0.02 -1.26 -4.86 135.00 132.74 2k3u n PRO 79 Ca -0.20 0.42 -0.38 0.00 -2.02 0.00 0.00 63.50 61.32 2k3u n PRO 79 Cb 0.57 -2.49 -0.02 0.00 -0.02 0.00 0.00 33.50 31.54 2k3u n PRO 79 CO 0.00 0.00 0.00 -0.48 1.98 0.00 0.00 175.50 177.00 2k3u s LEU 80 N -4.06 4.22 0.76 2.45 2.34 -1.26 -5.01 118.68 118.12 2k3u s LEU 80 Ca 0.82 2.36 -0.14 0.00 0.06 0.00 0.00 54.13 57.23 2k3u s LEU 80 Cb -0.38 -3.99 0.06 0.00 -0.56 0.00 0.00 46.19 41.31 2k3u s LEU 80 CO 0.41 -0.65 1.20 0.00 -1.06 0.00 0.00 176.35 176.25 2k3u s ALA 81 N -1.39 2.00 0.45 1.48 0.00 -1.26 -4.62 121.76 118.42 2k3u s ALA 81 Ca 0.56 0.83 0.23 0.00 0.00 0.00 0.00 51.96 53.58 2k3u s ALA 81 Cb -0.31 -3.47 1.22 0.00 0.00 0.00 0.00 23.12 20.56 2k3u s ALA 81 CO 0.39 -2.04 1.82 1.05 0.00 0.00 0.00 175.76 176.98 2k3u h GLU 82 N -0.60 0.27 -0.35 0.00 4.11 -1.99 0.98 114.58 117.00 2k3u h GLU 82 Ca -0.47 -0.02 -0.16 0.00 0.07 0.00 0.00 59.36 58.79 2k3u h GLU 82 Cb 1.29 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.47 2k3u h GLU 82 CO 0.48 0.18 -0.41 -0.44 0.07 0.00 0.00 179.01 178.89 2k3u h ASP 83 N 0.28 0.94 1.35 3.06 3.32 -1.98 -3.25 116.42 120.14 2k3u h ASP 83 Ca 0.52 -0.44 -0.11 0.00 0.02 0.00 0.00 57.03 57.02 2k3u h ASP 83 Cb 1.53 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 40.79 2k3u h ASP 83 CO -0.17 1.22 -0.52 0.03 -1.72 0.00 0.00 179.24 178.08 2k3u h ARG 84 N 0.71 0.00 -0.14 3.56 3.08 -1.27 -2.58 114.38 117.73 2k3u h ARG 84 Ca 0.05 0.00 0.04 0.00 0.07 0.00 0.00 59.98 60.14 2k3u h ARG 84 Cb 0.99 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.04 2k3u h ARG 84 CO 0.10 0.52 0.28 0.87 -1.07 0.00 0.00 179.97 180.67 2k3u h LYS 85 N 0.00 0.00 0.00 0.04 1.57 -0.95 -3.10 116.57 114.13 2k3u h LYS 85 Ca -0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 2k3u h LYS 85 Cb 1.33 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.64 2k3u h LYS 85 CO 0.07 0.00 -0.07 0.09 -0.57 0.00 0.00 179.45 178.97 2k3u n ASN 86 N -3.34 1.29 -4.75 0.86 3.02 -1.04 -2.31 115.26 108.97 2k3u n ASN 86 Ca 0.01 -1.98 -0.40 0.00 -0.03 0.00 0.00 54.58 52.18 2k3u n ASN 86 Cb 0.38 -0.12 -0.05 0.00 -0.61 0.00 0.00 39.78 39.39 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 -1.01 3.78 0.49 2.41 0.11 -1.00 -4.89 120.40 120.28 2k3u s VAL 87 Ca 0.07 1.73 -0.21 0.00 -2.93 0.00 0.00 61.98 60.64 2k3u s VAL 87 Cb 0.06 -4.10 -0.08 0.00 -1.53 0.00 0.00 36.38 30.73 2k3u s VAL 87 CO 0.01 0.39 1.08 -1.61 -3.33 0.00 0.00 175.10 171.64 2k3u s GLU 88 N -1.13 3.72 -0.28 1.54 0.41 -1.26 -2.38 118.70 119.32 2k3u s GLU 88 Ca 0.44 1.50 -0.08 0.00 -0.41 0.00 0.00 54.97 56.42 2k3u s GLU 88 Cb -0.29 -2.17 -0.02 0.00 -1.78 0.00 0.00 34.13 29.87 2k3u s GLU 88 CO 0.37 -0.52 0.11 -0.51 -0.49 0.00 0.00 175.26 174.22 2k3u s LEU 89 N -3.40 3.79 0.37 1.80 1.43 -0.18 -4.87 118.68 117.63 2k3u s LEU 89 Ca 0.67 -0.37 0.10 0.00 -1.03 0.00 0.00 54.13 53.50 2k3u s LEU 89 Cb -0.21 -1.96 0.73 0.00 0.03 0.00 0.00 46.19 44.78 2k3u s LEU 89 CO 0.25 -0.12 1.86 -0.07 0.23 0.00 0.00 176.35 178.50 2k3u h LEU 90 N 8.29 0.16 -8.02 1.79 3.38 -1.91 -3.44 115.31 115.56 2k3u h LEU 90 Ca -0.35 -0.04 0.03 0.00 0.09 0.00 0.00 57.88 57.61 2k3u h LEU 90 Cb 1.16 -0.04 -0.06 0.00 0.09 0.00 0.00 40.66 41.80 2k3u h LEU 90 CO 0.59 0.41 0.14 -0.83 0.09 0.00 0.00 178.44 178.84 2k3u s GLY 91 N -4.15 0.04 0.73 0.83 0.00 -1.22 -4.49 107.32 99.07 2k3u s GLY 91 Ca -0.05 -0.42 -0.16 0.00 0.00 0.00 0.00 44.72 44.10 2k3u s GLY 91 CO 0.73 -0.22 1.19 1.17 0.00 0.00 0.00 173.10 175.98 2k3u n LYS 92 N -0.44 0.59 -1.40 2.90 3.00 -1.26 -4.54 118.16 117.00 2k3u n LYS 92 Ca -0.04 0.27 -0.42 0.00 -0.00 0.00 0.00 58.31 58.11 2k3u n LYS 92 Cb 0.60 -2.43 -0.03 0.00 0.00 0.00 0.00 35.03 33.16 2k3u n LYS 92 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.40 177.28 2k3u n MET 93 N -2.51 2.13 -0.29 1.64 0.00 -0.82 -2.38 117.12 114.89 2k3u n MET 93 Ca 0.14 -2.18 -0.02 0.00 -0.00 0.00 0.00 57.70 55.64 2k3u n MET 93 Cb 0.49 -3.08 0.10 0.00 0.00 0.00 0.00 33.22 30.74 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 7.00 0.96 -2.39 1.12 3.20 -1.33 -2.71 116.97 122.81 2k3u h TYR 94 Ca 0.49 0.03 -0.05 0.00 3.14 0.00 0.00 58.73 62.34 2k3u h TYR 94 Cb 0.65 -0.32 -0.17 0.00 1.54 0.00 0.00 36.73 38.43 2k3u h TYR 94 CO 1.36 0.55 0.16 0.21 -1.64 0.00 0.00 178.16 178.80 2k3u s LYS 95 N -6.10 1.10 0.04 1.82 2.20 -0.84 -0.67 119.74 117.30 2k3u s LYS 95 Ca -0.13 -0.01 0.02 0.00 -0.36 0.00 0.00 55.97 55.50 2k3u s LYS 95 Cb 0.17 0.51 -0.02 0.00 -1.51 0.00 0.00 37.83 36.98 2k3u s LYS 95 CO 0.78 -0.39 -0.08 0.99 -0.36 0.00 0.00 175.35 176.29 2k3u s THR 96 N -2.03 0.57 0.05 3.43 2.01 -0.25 -0.90 115.64 118.53 2k3u s THR 96 Ca -0.07 -1.10 0.06 0.00 0.31 0.00 0.00 61.69 60.88 2k3u s THR 96 Cb -0.00 -0.65 -0.03 0.00 0.01 0.00 0.00 72.50 71.83 2k3u s THR 96 CO 0.02 -0.38 -0.16 -0.31 -0.69 0.00 0.00 174.62 173.10 2k3u s TYR 97 N -1.41 1.42 0.01 4.92 2.02 -0.24 -1.50 117.35 122.58 2k3u s TYR 97 Ca -0.09 -0.39 0.00 0.00 -0.37 0.00 0.00 57.07 56.23 2k3u s TYR 97 Cb -0.10 -0.82 -0.01 0.00 -0.40 0.00 0.00 41.96 40.63 2k3u s TYR 97 CO 0.00 0.07 -0.03 -0.06 -1.57 0.00 0.00 175.55 173.97 2k3u s PHE 98 N -0.96 0.24 -0.04 2.71 0.40 0.31 -0.64 117.98 120.01 2k3u s PHE 98 Ca 0.03 -0.29 0.04 0.00 -0.60 0.00 0.00 56.93 56.11 2k3u s PHE 98 Cb -0.09 -0.16 -0.00 0.00 0.51 0.00 0.00 43.02 43.28 2k3u s PHE 98 CO 0.02 -0.09 -0.16 -0.06 0.70 0.00 0.00 175.22 175.63 2k3u s PHE 99 N -0.78 1.64 0.60 0.36 0.40 -0.89 -0.78 117.98 118.53 2k3u s PHE 99 Ca -0.07 -0.47 -0.16 0.00 -0.60 0.00 0.00 56.93 55.63 2k3u s PHE 99 Cb -0.06 -1.11 -0.03 0.00 0.51 0.00 0.00 43.02 42.33 2k3u s PHE 99 CO -0.00 -0.16 1.07 0.15 0.70 0.00 0.00 175.22 176.98 2k3u s LYS 100 N 0.05 3.26 -0.29 0.44 1.02 -1.26 -0.72 119.74 122.24 2k3u s LYS 100 Ca -0.04 1.27 -0.34 0.00 0.02 0.00 0.00 55.97 56.89 2k3u s LYS 100 Cb -0.11 -2.02 -0.10 0.00 -0.52 0.00 0.00 37.83 35.08 2k3u s LYS 100 CO 0.02 -0.87 2.15 0.36 -0.92 0.00 0.00 175.35 176.09 2k3u n LYS 101 N -1.99 1.39 0.00 1.68 2.85 0.20 -1.24 118.16 121.05 2k3u n LYS 101 Ca 0.09 0.40 0.00 0.00 -1.05 0.00 0.00 58.31 57.75 2k3u n LYS 101 Cb 0.53 -2.65 0.00 0.00 -0.65 0.00 0.00 35.03 32.26 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 6.08 2.05 3.89 2.58 0.00 -1.26 -5.05 105.19 113.47 2k3u n GLY 102 Ca 0.36 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.09 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 -0.76 3.09 -0.03 1.61 0.41 -0.38 -5.03 118.70 117.62 2k3u s GLU 103 Ca 0.00 0.37 0.07 0.00 -0.41 0.00 0.00 54.97 55.00 2k3u s GLU 103 Cb 0.00 -2.14 0.11 0.00 -1.78 0.00 0.00 34.13 30.33 2k3u s GLU 103 CO 0.00 -0.77 1.05 -1.13 -0.49 0.00 0.00 175.26 173.93 2k3u n SER 104 N -2.77 0.59 -3.85 -0.19 3.41 -1.26 -4.86 113.62 104.68 2k3u n SER 104 Ca 0.05 -2.25 -0.13 0.00 -0.26 0.00 0.00 58.87 56.28 2k3u n SER 104 Cb 0.56 -0.26 -0.15 0.00 -0.26 0.00 0.00 64.21 64.10 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 -0.61 0.06 0.82 4.33 2.20 -1.26 -5.16 119.74 120.11 2k3u s LYS 105 Ca 0.11 0.03 -0.10 0.00 -0.36 0.00 0.00 55.97 55.65 2k3u s LYS 105 Cb 0.11 -0.14 0.09 0.00 -1.51 0.00 0.00 37.83 36.37 2k3u s LYS 105 CO -0.02 -0.04 1.11 -1.54 -0.36 0.00 0.00 175.35 174.50 2k3u s SER 106 N 0.33 4.00 0.00 1.43 1.04 -1.26 -4.74 113.70 114.49 2k3u s SER 106 Ca -0.03 1.94 0.00 0.00 0.48 0.00 0.00 55.95 58.34 2k3u s SER 106 Cb -0.04 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 63.54 2k3u s SER 106 CO -0.01 -2.38 0.00 -0.24 0.98 0.00 0.00 173.24 171.59 2k3u n SER 107 N -3.75 2.86 -4.18 7.02 2.88 0.04 -4.97 113.62 113.51 2k3u n SER 107 Ca 0.10 -0.09 -0.21 0.00 -1.33 0.00 0.00 58.87 57.34 2k3u n SER 107 Cb 0.53 0.75 -0.13 0.00 -0.75 0.00 0.00 64.21 64.60 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 -1.32 1.39 -0.09 0.66 5.04 -1.09 -5.02 117.35 116.93 2k3u s TYR 108 Ca 0.00 -0.39 -0.21 0.00 -2.44 0.00 0.00 57.07 54.03 2k3u s TYR 108 Cb 0.00 -0.81 0.05 0.00 0.35 0.00 0.00 41.96 41.55 2k3u s TYR 108 CO 0.00 0.07 0.50 0.54 -1.34 0.00 0.00 175.55 175.32 2k3u s VAL 109 N -0.96 0.02 -0.19 3.14 0.11 -1.26 -0.53 120.40 120.73 2k3u s VAL 109 Ca 0.02 -0.16 -0.04 0.00 -2.93 0.00 0.00 61.98 58.87 2k3u s VAL 109 Cb -0.09 -0.77 0.08 0.00 -1.53 0.00 0.00 36.38 34.07 2k3u s VAL 109 CO 0.02 -0.09 0.19 -0.63 -3.33 0.00 0.00 175.10 171.26 2k3u s ILE 110 N -0.73 -0.27 0.46 7.04 1.01 -0.56 -5.00 121.20 123.14 2k3u s ILE 110 Ca -0.08 -0.11 -0.21 0.00 0.00 0.00 0.00 60.65 60.25 2k3u s ILE 110 Cb -0.03 -0.65 -0.09 0.00 0.01 0.00 0.00 42.46 41.70 2k3u s ILE 110 CO 0.05 -0.21 1.01 0.20 0.00 0.00 0.00 174.94 175.98 2k3u s ASN 111 N 2.28 6.56 0.16 3.58 0.01 -1.26 -1.09 114.94 125.17 2k3u s ASN 111 Ca 0.06 1.85 -0.05 0.00 -0.71 0.00 0.00 52.86 54.01 2k3u s ASN 111 Cb -0.16 -2.55 0.02 0.00 0.41 0.00 0.00 41.25 38.97 2k3u s ASN 111 CO -0.11 -0.63 0.29 0.61 -1.51 0.00 0.00 177.10 175.75 2k3u n GLY 112 N -0.35 1.82 3.69 0.66 0.00 0.15 -4.92 105.19 106.24 2k3u n GLY 112 Ca 0.08 -1.18 -0.42 0.00 0.00 0.00 0.00 46.02 44.50 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 -2.10 4.25 0.00 1.61 0.04 -1.02 -4.34 135.00 133.44 2k3u s PRO 113 Ca 0.07 2.11 0.00 0.00 0.04 0.00 0.00 61.00 63.23 2k3u s PRO 113 Cb -0.02 -3.56 0.00 0.00 0.04 0.00 0.00 34.50 30.96 2k3u s PRO 113 CO 0.06 -0.63 0.00 0.41 0.04 0.00 0.00 177.00 176.88 2k3u n GLY 114 N 3.77 0.00 4.88 0.56 0.00 -1.26 -1.92 105.19 111.22 2k3u n GLY 114 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 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 -3.49 1.61 4.81 -1.26 -4.72 118.16 115.11 2k3u n LYS 115 Ca 0.00 0.00 -0.13 0.00 -0.87 0.00 0.00 58.31 57.31 2k3u n LYS 115 Cb 0.00 -1.10 -0.04 0.00 0.02 0.00 0.00 35.03 33.91 2k3u n LYS 115 CO 0.00 0.00 0.00 -0.08 1.17 0.00 0.00 177.40 178.49 2k3u s THR 116 N 0.00 0.00 -0.04 3.15 -1.32 -1.26 -5.07 115.64 111.10 2k3u s THR 116 Ca 0.00 0.00 0.12 0.00 -1.21 0.00 0.00 61.69 60.60 2k3u s THR 116 Cb 0.00 -1.00 -0.08 0.00 -1.51 0.00 0.00 72.50 69.91 2k3u s THR 116 CO 0.00 0.00 1.26 0.78 -2.21 0.00 0.00 174.62 174.45 2k3u h ASN 117 N 2.36 0.00 0.76 8.08 4.21 -1.86 -3.36 115.58 125.77 2k3u h ASN 117 Ca -0.27 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.24 2k3u h ASN 117 Cb 1.22 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.42 2k3u h ASN 117 CO 0.36 0.73 0.00 1.05 -1.29 0.00 0.00 177.43 178.27 2k3u h GLU 118 N 0.00 0.00 0.00 0.81 4.11 -1.93 0.11 114.58 117.68 2k3u h GLU 118 Ca -0.05 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.38 2k3u h GLU 118 Cb 1.59 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.84 2k3u h GLU 118 CO 0.09 0.00 0.00 0.98 0.07 0.00 0.00 179.01 180.15 2k3u n TYR 119 N -2.59 0.00 -0.83 2.06 9.36 -1.26 -4.53 117.16 119.37 2k3u n TYR 119 Ca 0.01 0.00 -0.12 0.00 3.32 0.00 0.00 57.90 61.11 2k3u n TYR 119 Cb 0.24 0.00 0.01 0.00 -0.63 0.00 0.00 39.34 38.96 2k3u n TYR 119 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 2k3u n ALA 120 N 0.91 4.95 -0.49 2.98 0.00 -1.26 -4.96 120.51 122.65 2k3u n ALA 120 Ca 0.00 -1.27 0.00 0.00 0.00 0.00 0.00 53.44 52.17 2k3u n ALA 120 Cb 0.00 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 18.08 2k3u n ALA 120 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48