#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xka h GLU 51 N 0.00 -0.35 0.00 0.00 4.81 -2.01 0.43 114.58 117.45 1xka h GLU 51 Ca 0.00 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 1xka h GLU 51 Cb 0.61 0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.07 1xka h GLU 51 CO 0.00 -0.23 0.04 0.25 -0.73 0.00 0.00 179.01 178.34 1xka n THR 52 N -5.41 1.43 -3.33 0.32 -2.24 -1.25 -4.83 114.28 98.97 1xka n THR 52 Ca -0.02 0.40 -0.15 0.00 -2.27 0.00 0.00 64.05 62.00 1xka n THR 52 Cb 0.33 -1.40 0.04 0.00 -2.10 0.00 0.00 70.33 67.21 1xka n THR 52 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1xka n SER 53 N -1.35 -6.57 0.06 3.42 7.64 0.15 -4.91 113.62 112.06 1xka n SER 53 Ca 0.00 -0.63 0.10 0.00 1.01 0.00 0.00 58.87 59.36 1xka n SER 53 Cb 0.04 -4.65 0.43 0.00 -1.01 0.00 0.00 64.21 59.02 1xka n SER 53 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 1xka n PRO 54 N -3.03 0.10 -3.07 1.43 -0.04 -1.26 -4.74 135.00 124.40 1xka n PRO 54 Ca -0.07 0.27 -0.40 0.00 -0.04 0.00 0.00 63.50 63.26 1xka n PRO 54 Cb 0.59 -1.67 -0.05 0.00 -0.04 0.00 0.00 33.50 32.32 1xka n PRO 54 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1xka s GLN 56 N 1.85 3.66 -0.86 0.00 -1.52 0.18 -3.94 119.66 119.02 1xka s GLN 56 Ca 0.31 -0.01 -0.04 0.00 -1.95 0.00 0.00 55.36 53.68 1xka s GLN 56 Cb -0.16 -2.78 0.00 0.00 -0.22 0.00 0.00 33.01 29.85 1xka s GLN 56 CO 0.11 0.41 0.74 0.09 -0.25 0.00 0.00 175.29 176.39 1xka n ASN 57 N -0.10 -3.81 -3.40 5.90 4.13 -1.26 -3.42 115.26 113.31 1xka n ASN 57 Ca -0.02 -0.38 -0.17 0.00 1.68 0.00 0.00 54.58 55.69 1xka n ASN 57 Cb 0.52 -3.55 0.09 0.00 -1.54 0.00 0.00 39.78 35.30 1xka n ASN 57 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1xka n GLN 58 N -3.35 -6.65 -2.06 3.52 3.00 -1.26 -4.82 117.38 105.75 1xka n GLN 58 Ca -0.07 0.83 -0.32 0.00 -0.01 0.00 0.00 57.00 57.43 1xka n GLN 58 Cb 0.57 -5.80 0.00 0.00 0.00 0.00 0.00 30.24 25.01 1xka n GLN 58 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.06 177.26 1xka s GLY 59 N -4.21 2.00 -0.93 1.08 0.00 -1.22 -4.74 107.32 99.31 1xka s GLY 59 Ca 0.07 0.25 -0.22 0.00 0.00 0.00 0.00 44.72 44.82 1xka s GLY 59 CO 0.71 0.55 1.26 0.54 0.00 0.00 0.00 173.10 176.16 1xka s LYS 60 N -4.30 3.51 -0.06 2.90 -0.14 -0.35 -4.85 119.74 116.46 1xka s LYS 60 Ca 0.61 -1.28 -0.30 0.00 -1.36 0.00 0.00 55.97 53.64 1xka s LYS 60 Cb -0.14 -4.98 -0.02 0.00 -1.68 0.00 0.00 37.83 31.01 1xka s LYS 60 CO 0.39 -1.99 0.99 0.00 -0.76 0.00 0.00 175.35 173.98 1xka s LYS 62 N 1.53 2.05 0.00 0.00 2.20 0.13 -4.95 119.74 120.71 1xka s LYS 62 Ca 0.50 -2.27 0.00 0.00 -0.36 0.00 0.00 55.97 53.84 1xka s LYS 62 Cb -0.20 -1.22 0.00 0.00 -1.51 0.00 0.00 37.83 34.90 1xka s LYS 62 CO 0.23 -0.35 0.00 0.41 -0.36 0.00 0.00 175.35 175.28 1xka n GLY 64 N -1.08 -0.56 0.00 5.54 0.00 -1.08 -1.06 105.19 106.95 1xka n GLY 64 Ca -0.12 0.57 0.00 0.00 0.00 0.00 0.00 46.02 46.46 1xka n GLY 64 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1xka n LEU 65 N 0.00 0.00 -0.03 0.99 4.77 -1.26 -4.81 117.00 116.66 1xka n LEU 65 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1xka n LEU 65 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1xka n LEU 65 CO 0.00 0.00 0.24 0.61 -1.33 0.00 0.00 177.39 176.91 1xka n GLY 66 N 5.00 -0.43 3.28 -0.72 0.00 -1.26 -4.43 105.19 106.63 1xka n GLY 66 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 1xka n GLY 66 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1xka s GLU 67 N -1.95 1.47 0.18 1.61 -1.05 -1.26 -5.02 118.70 112.69 1xka s GLU 67 Ca 0.00 -1.82 -0.10 0.00 -0.15 0.00 0.00 54.97 52.91 1xka s GLU 67 Cb 0.00 0.05 -0.01 0.00 -0.44 0.00 0.00 34.13 33.73 1xka s GLU 67 CO 0.00 -0.44 0.32 1.52 0.95 0.00 0.00 175.26 177.62 1xka s TYR 68 N -3.78 0.41 -0.01 4.83 1.13 -1.26 -2.64 117.35 116.04 1xka s TYR 68 Ca 0.38 -0.76 0.01 0.00 -1.41 0.00 0.00 57.07 55.28 1xka s TYR 68 Cb 0.06 -0.02 0.00 0.00 -1.10 0.00 0.00 41.96 40.90 1xka s TYR 68 CO 0.17 -0.78 -0.03 0.99 -2.51 0.00 0.00 175.55 173.39 1xka s THR 69 N -3.98 0.25 -0.18 -3.49 2.01 -0.22 -4.96 115.64 105.07 1xka s THR 69 Ca 0.19 -0.10 -0.04 0.00 0.31 0.00 0.00 61.69 62.05 1xka s THR 69 Cb 0.03 -0.24 -0.02 0.00 0.01 0.00 0.00 72.50 72.28 1xka s THR 69 CO 0.02 0.09 -0.03 0.00 -0.69 0.00 0.00 174.62 174.01 1xka s THR 71 N 0.73 4.36 0.20 0.00 2.01 0.31 -4.88 115.64 118.37 1xka s THR 71 Ca -0.01 -1.16 -0.30 0.00 0.31 0.00 0.00 61.69 60.52 1xka s THR 71 Cb -0.14 -3.56 -0.09 0.00 0.01 0.00 0.00 72.50 68.72 1xka s THR 71 CO 0.02 -0.38 1.31 0.00 -0.69 0.00 0.00 174.62 174.88 1xka n LEU 73 N 2.68 0.00 -4.55 0.00 4.77 -1.26 -4.94 117.00 113.69 1xka n LEU 73 Ca 0.06 0.00 -0.41 0.00 -0.03 0.00 0.00 56.01 55.63 1xka n LEU 73 Cb 0.43 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.43 1xka n LEU 73 CO 0.58 0.00 0.13 -1.61 -1.33 0.00 0.00 177.39 175.16 1xka s GLU 74 N 0.00 3.60 0.00 3.23 8.01 -1.26 -4.38 118.70 127.90 1xka s GLU 74 Ca 0.00 -0.28 0.00 0.00 0.01 0.00 0.00 54.97 54.70 1xka s GLU 74 Cb 0.00 -3.80 0.00 0.00 -4.31 0.00 0.00 34.13 26.02 1xka s GLU 74 CO 0.00 -0.57 0.00 0.41 0.01 0.00 0.00 175.26 175.11 1xka n GLY 75 N 4.87 0.99 3.32 -1.39 0.00 -1.26 -5.06 105.19 106.66 1xka n GLY 75 Ca -0.07 -0.42 -0.14 0.00 0.00 0.00 0.00 46.02 45.39 1xka n GLY 75 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1xka s PHE 76 N -2.46 -0.40 0.36 1.61 0.08 -1.26 -3.44 117.98 112.47 1xka s PHE 76 Ca 0.00 0.85 0.06 0.00 0.12 0.00 0.00 56.93 57.96 1xka s PHE 76 Cb 0.00 0.17 -0.03 0.00 -0.57 0.00 0.00 43.02 42.59 1xka s PHE 76 CO 0.00 -0.33 0.21 -1.21 -0.10 0.00 0.00 175.22 173.80 1xka s GLU 77 N -0.47 1.80 0.00 0.44 2.02 0.55 -4.74 118.70 118.31 1xka s GLU 77 Ca -0.06 -2.07 0.00 0.00 0.02 0.00 0.00 54.97 52.86 1xka s GLU 77 Cb -0.03 -0.05 0.00 0.00 0.10 0.00 0.00 34.13 34.15 1xka s GLU 77 CO 0.03 -0.57 0.00 0.41 0.02 0.00 0.00 175.26 175.14 1xka n GLY 78 N -0.73 1.53 0.44 -1.39 0.00 -1.26 -0.76 105.19 103.03 1xka n GLY 78 Ca 0.02 -1.81 0.26 0.00 0.00 0.00 0.00 46.02 44.49 1xka n GLY 78 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1xka h LYS 79 N 0.00 0.26 -0.07 1.61 3.64 -2.00 -0.91 116.57 119.10 1xka h LYS 79 Ca 0.00 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 1xka h LYS 79 Cb 0.00 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 31.76 1xka h LYS 79 CO 0.00 0.17 0.00 0.09 -2.27 0.00 0.00 179.45 177.44 1xka n ASN 80 N -4.48 2.72 -3.14 4.20 4.13 -1.26 -4.22 115.26 113.21 1xka n ASN 80 Ca 0.24 -3.04 -0.23 0.00 1.68 0.00 0.00 54.58 53.24 1xka n ASN 80 Cb 0.96 -0.45 0.04 0.00 -1.54 0.00 0.00 39.78 38.79 1xka n ASN 80 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1xka n GLU 82 N -4.21 0.39 -3.52 0.00 0.00 -0.39 -4.52 120.64 108.38 1xka n GLU 82 Ca -0.09 -0.02 -0.32 0.00 0.00 0.00 0.00 57.16 56.74 1xka n GLU 82 Cb 0.61 -1.61 -0.05 0.00 0.00 0.00 0.00 31.44 30.38 1xka n GLU 82 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.13 176.62 1xka s LEU 83 N -4.21 4.21 -0.10 -1.84 1.43 0.06 -4.92 118.68 113.31 1xka s LEU 83 Ca 0.01 0.79 -0.22 0.00 -1.03 0.00 0.00 54.13 53.69 1xka s LEU 83 Cb 0.14 -3.53 -0.04 0.00 0.03 0.00 0.00 46.19 42.79 1xka s LEU 83 CO 0.82 -0.02 0.64 -0.36 0.23 0.00 0.00 176.35 177.66 1xka s PHE 84 N -1.75 3.53 0.69 0.29 0.08 -1.26 -0.33 117.98 119.24 1xka s PHE 84 Ca 0.45 1.13 -0.17 0.00 0.12 0.00 0.00 56.93 58.46 1xka s PHE 84 Cb -0.12 -2.75 0.01 0.00 -0.57 0.00 0.00 43.02 39.60 1xka s PHE 84 CO 0.22 0.07 1.21 2.41 -0.10 0.00 0.00 175.22 179.04 1xka n THR 85 N 3.88 3.95 -1.41 0.64 -1.04 -1.22 -4.78 114.28 114.28 1xka n THR 85 Ca -0.02 -0.41 -0.48 0.00 -2.04 0.00 0.00 64.05 61.09 1xka n THR 85 Cb 0.51 -1.35 -0.11 0.00 -1.82 0.00 0.00 70.33 67.55 1xka n THR 85 CO 0.00 0.00 0.00 -2.11 -0.64 0.00 0.00 175.07 172.32 1xka n ARG 86 N -2.17 0.31 -0.00 -2.82 1.85 -1.26 -4.77 116.66 107.80 1xka n ARG 86 Ca 0.15 0.06 0.02 0.00 -1.00 0.00 0.00 57.85 57.07 1xka n ARG 86 Cb 0.49 -1.89 -0.02 0.00 -1.05 0.00 0.00 32.46 29.99 1xka n ARG 86 CO 0.00 0.00 0.00 1.63 -0.01 0.00 0.00 177.63 179.25 1xka n LYS 87 N 8.18 3.62 -4.02 2.89 5.02 -1.26 -3.70 118.16 128.88 1xka n LYS 87 Ca 0.55 -0.01 -0.09 0.00 -2.02 0.00 0.00 58.31 56.74 1xka n LYS 87 Cb 0.10 -0.83 -0.11 0.00 -0.02 0.00 0.00 35.03 34.17 1xka n LYS 87 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1xka s LEU 88 N -2.59 2.33 0.32 -0.35 1.02 -1.26 -4.12 118.68 114.03 1xka s LEU 88 Ca 0.00 -0.67 0.21 0.00 0.02 0.00 0.00 54.13 53.69 1xka s LEU 88 Cb 0.03 0.12 0.17 0.00 0.02 0.00 0.00 46.19 46.52 1xka s LEU 88 CO 0.16 -0.40 1.38 0.00 0.02 0.00 0.00 176.35 177.51 1xka h SER 90 N 0.00 0.00 -3.39 0.00 4.64 -1.96 -1.69 113.55 111.15 1xka h SER 90 Ca -0.01 0.00 -0.73 0.00 -0.47 0.00 0.00 61.79 60.58 1xka h SER 90 Cb 1.13 0.00 -0.23 0.00 -0.31 0.00 0.00 62.40 62.99 1xka h SER 90 CO 0.02 0.11 -0.38 -0.22 -0.87 0.00 0.00 176.83 175.48 1xka s LEU 91 N -8.64 5.38 -1.58 5.97 1.98 -1.24 -4.51 118.68 116.04 1xka s LEU 91 Ca -0.04 -1.23 0.00 0.00 -2.89 0.00 0.00 54.13 49.96 1xka s LEU 91 Cb 0.16 -2.14 0.00 0.00 0.66 0.00 0.00 46.19 44.87 1xka s LEU 91 CO 0.67 -0.57 0.00 0.47 -1.89 0.00 0.00 176.35 175.03 1xka n ASP 92 N 5.14 -5.23 -1.84 3.68 8.00 -1.26 -2.25 116.55 122.79 1xka n ASP 92 Ca -0.12 0.03 -0.14 0.00 0.71 0.00 0.00 54.79 55.27 1xka n ASP 92 Cb 0.44 -4.31 -0.04 0.00 -0.02 0.00 0.00 41.12 37.20 1xka n ASP 92 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1xka n ASN 93 N -1.38 -4.00 -1.03 -2.24 5.15 -0.64 0.22 115.26 111.35 1xka n ASN 93 Ca -0.21 0.27 -0.13 0.00 -0.60 0.00 0.00 54.58 53.90 1xka n ASN 93 Cb 0.65 -3.55 -0.06 0.00 -0.53 0.00 0.00 39.78 36.29 1xka n ASN 93 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1xka n GLY 94 N -0.51 1.42 2.82 8.20 0.00 -0.95 -1.87 105.19 114.29 1xka n GLY 94 Ca -0.15 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.48 1xka n GLY 94 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1xka n ASP 95 N -0.19 -2.22 -4.77 1.61 8.00 0.13 -4.91 116.55 114.20 1xka n ASP 95 Ca -0.13 0.00 -0.38 0.00 0.71 0.00 0.00 54.79 54.99 1xka n ASP 95 Cb 0.44 -1.28 -0.03 0.00 -0.02 0.00 0.00 41.12 40.24 1xka n ASP 95 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1xka h ASP 97 N 2.70 0.00 0.00 0.00 5.19 -1.06 -3.47 116.42 119.78 1xka h ASP 97 Ca -0.48 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.93 1xka h ASP 97 Cb 1.22 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.73 1xka h ASP 97 CO 0.63 0.72 0.00 0.00 -3.12 0.00 0.00 179.24 177.47 1xka n GLN 98 N -3.58 0.00 -1.96 3.56 6.02 -1.26 -4.98 117.38 115.18 1xka n GLN 98 Ca -0.00 0.00 -0.38 0.00 -0.01 0.00 0.00 57.00 56.61 1xka n GLN 98 Cb 0.73 0.00 0.02 0.00 1.02 0.00 0.00 30.24 32.01 1xka n GLN 98 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 1xka s PHE 99 N 2.43 2.50 -0.06 1.08 0.08 -0.92 -4.91 117.98 118.18 1xka s PHE 99 Ca 0.00 1.44 -0.04 0.00 0.12 0.00 0.00 56.93 58.44 1xka s PHE 99 Cb 0.00 -3.64 0.02 0.00 -0.57 0.00 0.00 43.02 38.83 1xka s PHE 99 CO 0.00 -2.37 0.15 0.00 -0.10 0.00 0.00 175.22 172.89 1xka s HIS 101 N 0.40 0.27 -0.16 0.00 -3.43 -1.06 -5.00 115.29 106.30 1xka s HIS 101 Ca -0.03 -0.63 -0.03 0.00 -0.80 0.00 0.00 55.06 53.58 1xka s HIS 101 Cb -0.04 0.09 -0.02 0.00 -1.43 0.00 0.00 32.58 31.18 1xka s HIS 101 CO -0.02 -0.82 -0.05 -1.21 -2.00 0.00 0.00 174.74 170.64 1xka s GLU 102 N -3.95 3.59 -0.24 -0.38 2.02 -1.26 -0.74 118.70 117.73 1xka s GLU 102 Ca 0.16 -0.56 0.02 0.00 0.02 0.00 0.00 54.97 54.61 1xka s GLU 102 Cb 0.02 -2.87 0.05 0.00 0.10 0.00 0.00 34.13 31.43 1xka s GLU 102 CO 0.01 0.19 -0.11 -2.00 0.02 0.00 0.00 175.26 173.37 1xka s GLU 103 N 0.48 2.21 -0.89 1.61 2.56 0.27 -4.73 118.70 120.21 1xka s GLU 103 Ca -0.05 -1.21 -0.01 0.00 0.00 0.00 0.00 54.97 53.71 1xka s GLU 103 Cb -0.15 -2.78 0.00 0.00 2.00 0.00 0.00 34.13 33.20 1xka s GLU 103 CO 0.03 -0.53 0.74 1.04 -0.56 0.00 0.00 175.26 175.99 1xka n GLN 104 N 4.50 -4.94 -3.72 4.30 6.02 -1.26 -3.08 117.38 119.20 1xka n GLN 104 Ca -0.14 0.62 -0.22 0.00 -0.01 0.00 0.00 57.00 57.24 1xka n GLN 104 Cb 0.43 -4.97 0.03 0.00 1.02 0.00 0.00 30.24 26.75 1xka n GLN 104 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1xka n ASN 105 N -2.49 -1.39 -3.53 1.08 3.02 -1.26 -4.97 115.26 105.71 1xka n ASN 105 Ca -0.19 -0.86 -0.17 0.00 -0.03 0.00 0.00 54.58 53.33 1xka n ASN 105 Cb 0.62 -3.90 -0.06 0.00 -0.61 0.00 0.00 39.78 35.83 1xka n ASN 105 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1xka s SER 106 N -4.29 -0.64 0.08 6.41 0.15 -1.18 -4.94 113.70 109.29 1xka s SER 106 Ca 0.04 0.75 -0.28 0.00 0.70 0.00 0.00 55.95 57.17 1xka s SER 106 Cb -0.01 0.60 -0.06 0.00 -1.71 0.00 0.00 66.02 64.84 1xka s SER 106 CO 0.82 -0.56 0.87 -0.69 1.20 0.00 0.00 173.24 174.89 1xka s VAL 107 N -1.05 4.59 -0.10 4.45 1.01 -1.24 0.95 120.40 129.01 1xka s VAL 107 Ca -0.09 1.87 -0.01 0.00 0.00 0.00 0.00 61.98 63.75 1xka s VAL 107 Cb -0.00 -4.23 0.03 0.00 0.00 0.00 0.00 36.38 32.17 1xka s VAL 107 CO 0.09 0.35 -0.05 0.54 0.00 0.00 0.00 175.10 176.02 1xka s VAL 108 N -0.07 0.83 0.36 2.92 0.11 0.08 -4.84 120.40 119.78 1xka s VAL 108 Ca 0.43 -0.17 -0.06 0.00 -2.93 0.00 0.00 61.98 59.25 1xka s VAL 108 Cb -0.22 -0.89 -0.05 0.00 -1.53 0.00 0.00 36.38 33.69 1xka s VAL 108 CO 0.27 0.33 0.65 0.00 -3.33 0.00 0.00 175.10 173.02 1xka s SER 110 N -3.40 -0.12 0.35 0.00 1.04 -0.97 -4.97 113.70 105.62 1xka s SER 110 Ca 0.46 -0.86 0.03 0.00 0.48 0.00 0.00 55.95 56.06 1xka s SER 110 Cb -0.10 0.60 -0.04 0.00 0.10 0.00 0.00 66.02 66.58 1xka s SER 110 CO 0.33 -1.16 0.12 0.00 0.98 0.00 0.00 173.24 173.51 1xka s ALA 112 N -3.39 3.29 0.36 0.00 0.00 -1.26 -4.94 121.76 115.81 1xka s ALA 112 Ca 0.31 -0.79 -0.28 0.00 0.00 0.00 0.00 51.96 51.20 1xka s ALA 112 Cb 0.05 -2.58 -0.12 0.00 0.00 0.00 0.00 23.12 20.48 1xka s ALA 112 CO 0.15 -0.95 1.40 -2.13 0.00 0.00 0.00 175.76 174.23 1xka n ARG 113 N -2.67 2.42 -0.26 0.00 0.63 -1.26 -2.06 116.66 113.46 1xka n ARG 113 Ca 0.06 0.85 0.00 0.00 -0.92 0.00 0.00 57.85 57.83 1xka n ARG 113 Cb 0.59 -2.51 0.00 0.00 0.45 0.00 0.00 32.46 30.99 1xka n ARG 113 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1xka n GLY 114 N 0.65 0.74 3.13 5.14 0.00 -1.26 -4.60 105.19 108.99 1xka n GLY 114 Ca 0.03 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.94 1xka n GLY 114 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1xka s TYR 115 N -2.28 0.79 -0.04 1.61 2.02 -0.87 -0.91 117.35 117.67 1xka s TYR 115 Ca 0.00 -0.83 0.03 0.00 -0.37 0.00 0.00 57.07 55.90 1xka s TYR 115 Cb 0.00 -0.47 0.00 0.00 -0.40 0.00 0.00 41.96 41.09 1xka s TYR 115 CO 0.00 -0.16 -0.11 -0.08 -1.57 0.00 0.00 175.55 173.63 1xka s THR 116 N -3.12 0.97 -0.03 -0.71 -1.32 0.85 -4.78 115.64 107.50 1xka s THR 116 Ca 0.06 -0.45 -0.30 0.00 -1.21 0.00 0.00 61.69 59.79 1xka s THR 116 Cb 0.02 -0.86 -0.06 0.00 -1.51 0.00 0.00 72.50 70.09 1xka s THR 116 CO -0.04 0.30 1.62 -0.22 -2.21 0.00 0.00 174.62 174.07 1xka s LEU 117 N 0.26 4.32 1.16 9.08 2.96 -1.26 0.37 118.68 135.57 1xka s LEU 117 Ca -0.05 2.24 -0.13 0.00 -0.22 0.00 0.00 54.13 55.97 1xka s LEU 117 Cb -0.11 -3.54 0.26 0.00 0.50 0.00 0.00 46.19 43.31 1xka s LEU 117 CO 0.01 -0.89 0.90 0.00 -1.32 0.00 0.00 176.35 175.05 1xka n ALA 118 N 6.71 -2.98 -0.05 5.97 0.00 -0.31 -4.81 120.51 125.04 1xka n ALA 118 Ca 0.17 -1.17 0.03 0.00 0.00 0.00 0.00 53.44 52.46 1xka n ALA 118 Cb 0.43 -1.95 0.37 0.00 0.00 0.00 0.00 19.45 18.30 1xka n ALA 118 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1xka h ASP 119 N -2.59 0.57 0.63 0.00 3.32 -1.93 -0.32 116.42 116.09 1xka h ASP 119 Ca -0.60 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 56.43 1xka h ASP 119 Cb 1.33 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 40.74 1xka h ASP 119 CO 0.47 0.43 0.00 -0.46 -1.72 0.00 0.00 179.24 177.96 1xka n ASN 120 N -4.44 0.54 -0.74 6.45 2.04 -1.26 -4.88 115.26 112.96 1xka n ASN 120 Ca 0.04 0.64 -0.07 0.00 -0.44 0.00 0.00 54.58 54.75 1xka n ASN 120 Cb 0.07 -0.75 -0.01 0.00 -2.53 0.00 0.00 39.78 36.55 1xka n ASN 120 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1xka n GLY 121 N -0.11 0.37 1.52 4.83 0.00 -0.13 -4.88 105.19 106.79 1xka n GLY 121 Ca 0.02 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.41 1xka n GLY 121 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1xka n LYS 122 N -2.08 0.00 -1.49 1.61 5.02 -1.26 -4.26 118.16 115.70 1xka n LYS 122 Ca -0.08 0.00 -0.31 0.00 -2.02 0.00 0.00 58.31 55.90 1xka n LYS 122 Cb 0.45 -0.24 0.08 0.00 -0.02 0.00 0.00 35.03 35.30 1xka n LYS 122 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1xka s ALA 123 N -2.00 2.38 -0.15 7.82 0.00 -1.26 -0.41 121.76 128.14 1xka s ALA 123 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 51.96 51.96 1xka s ALA 123 Cb 0.00 -3.17 0.02 0.00 0.00 0.00 0.00 23.12 19.98 1xka s ALA 123 CO 0.00 -1.57 -0.15 0.00 0.00 0.00 0.00 175.76 174.05 1xka s ILE 125 N 1.44 5.25 0.34 0.00 -1.09 0.16 -4.82 121.20 122.49 1xka s ILE 125 Ca 0.04 0.28 -0.29 0.00 -2.23 0.00 0.00 60.65 58.46 1xka s ILE 125 Cb -0.13 -3.61 -0.11 0.00 -1.58 0.00 0.00 42.46 37.02 1xka s ILE 125 CO -0.11 0.19 1.55 -2.84 -1.23 0.00 0.00 174.94 172.50 1xka s PRO 126 N 1.88 4.10 0.00 2.79 0.02 -1.26 -0.10 135.00 142.43 1xka s PRO 126 Ca 0.10 2.59 0.24 0.00 0.02 0.00 0.00 61.00 63.95 1xka s PRO 126 Cb -0.16 -2.99 0.27 0.00 0.02 0.00 0.00 34.50 31.64 1xka s PRO 126 CO 0.11 -0.60 1.25 0.25 -0.33 0.00 0.00 177.00 177.68 1xka n THR 127 N 1.27 0.00 -4.21 0.99 -2.24 -0.09 -4.86 114.28 105.14 1xka n THR 127 Ca 0.04 -0.07 -0.16 0.00 -2.27 0.00 0.00 64.05 61.60 1xka n THR 127 Cb 0.38 0.66 -0.08 0.00 -2.10 0.00 0.00 70.33 69.19 1xka n THR 127 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1xka s GLY 128 N -2.80 1.81 0.05 3.38 0.00 -1.26 -5.04 107.32 103.45 1xka s GLY 128 Ca 0.14 -1.80 0.22 0.00 0.00 0.00 0.00 44.72 43.29 1xka s GLY 128 CO 0.69 -1.32 1.71 -1.55 0.00 0.00 0.00 173.10 172.63 1xka n PRO 129 N -0.49 0.05 -3.17 2.90 -0.04 -1.26 -4.15 135.00 128.83 1xka n PRO 129 Ca 0.04 0.16 -0.20 0.00 -0.04 0.00 0.00 63.50 63.46 1xka n PRO 129 Cb 0.63 -1.57 -0.04 0.00 -0.04 0.00 0.00 33.50 32.48 1xka n PRO 129 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1xka n TYR 130 N -1.65 -0.19 -1.87 0.54 4.01 -1.26 -5.13 117.16 111.61 1xka n TYR 130 Ca 0.05 -3.63 -0.34 0.00 -0.16 0.00 0.00 57.90 53.82 1xka n TYR 130 Cb 0.27 -0.31 0.04 0.00 -0.31 0.00 0.00 39.34 39.03 1xka n TYR 130 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 1xka s PRO 131 N -1.76 2.89 0.71 -0.72 0.04 -1.26 -4.97 135.00 129.93 1xka s PRO 131 Ca 0.37 1.51 -0.16 0.00 0.04 0.00 0.00 61.00 62.77 1xka s PRO 131 Cb 0.27 -1.95 0.03 0.00 0.04 0.00 0.00 34.50 32.88 1xka s PRO 131 CO -0.10 -1.20 1.24 0.00 0.04 0.00 0.00 177.00 176.99 1xka n GLY 133 N 0.62 0.45 3.55 0.00 0.00 -1.26 -4.98 105.19 103.57 1xka n GLY 133 Ca 0.14 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.80 1xka n GLY 133 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xka s LYS 134 N -0.60 3.85 0.46 1.61 -0.14 -1.21 -5.06 119.74 118.64 1xka s LYS 134 Ca 0.00 -0.39 -0.24 0.00 -1.36 0.00 0.00 55.97 53.98 1xka s LYS 134 Cb 0.00 -3.34 -0.07 0.00 -1.68 0.00 0.00 37.83 32.73 1xka s LYS 134 CO 0.00 0.01 1.32 -0.65 -0.76 0.00 0.00 175.35 175.27 1xka s GLN 135 N 1.11 3.65 -1.34 1.68 -0.21 -1.26 -4.87 119.66 118.42 1xka s GLN 135 Ca 0.05 2.17 -0.11 0.00 0.02 0.00 0.00 55.36 57.48 1xka s GLN 135 Cb -0.14 -2.54 0.12 0.00 1.00 0.00 0.00 33.01 31.44 1xka s GLN 135 CO 0.04 -0.76 1.98 0.25 -2.12 0.00 0.00 175.29 174.68 1xka n THR 136 N -0.35 4.01 -2.81 -0.19 -2.24 -1.26 -4.89 114.28 106.55 1xka n THR 136 Ca 0.06 -3.91 -0.43 0.00 -2.27 0.00 0.00 64.05 57.51 1xka n THR 136 Cb 0.44 -2.45 -0.03 0.00 -2.10 0.00 0.00 70.33 66.19 1xka n THR 136 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1xka s LEU 137 N 0.92 4.56 -0.01 3.22 1.43 -1.26 -4.73 118.68 122.81 1xka s LEU 137 Ca 0.43 -1.88 0.09 0.00 -1.03 0.00 0.00 54.13 51.73 1xka s LEU 137 Cb 0.10 -2.45 -0.14 0.00 0.03 0.00 0.00 46.19 43.74 1xka s LEU 137 CO -0.03 -1.20 0.19 -0.62 0.23 0.00 0.00 176.35 174.93 1xka n GLU 138 N 7.27 0.29 0.00 1.70 1.02 -1.26 -5.30 120.64 124.37 1xka n GLU 138 Ca 0.27 -0.08 0.00 0.00 -0.02 0.00 0.00 57.16 57.33 1xka n GLU 138 Cb 0.50 -1.21 0.00 0.00 -0.02 0.00 0.00 31.44 30.71 1xka n GLU 138 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85