#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2khj h PHE 2 N 0.00 0.09 -1.05 3.17 3.04 -1.81 -3.31 116.94 117.07 2khj h PHE 2 Ca 0.00 0.00 0.30 0.00 3.98 0.00 0.00 57.97 62.25 2khj h PHE 2 Cb 0.00 -0.03 -0.04 0.00 2.56 0.00 0.00 35.95 38.44 2khj h PHE 2 CO 0.00 0.05 0.75 -0.97 -2.02 0.00 0.00 178.31 176.13 2khj h ASN 3 N 0.10 0.01 0.01 0.41 -0.73 -1.98 0.15 115.58 113.56 2khj h ASN 3 Ca 0.05 0.00 -0.00 0.00 1.87 0.00 0.00 56.30 58.23 2khj h ASN 3 Cb 0.10 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.69 2khj h ASN 3 CO -0.01 0.00 -0.01 -1.13 -0.37 0.00 0.00 177.43 175.92 2khj h ASN 4 N 0.01 -0.02 -0.52 1.15 -1.24 -1.94 -3.39 115.58 109.64 2khj h ASN 4 Ca 0.50 -0.76 0.06 0.00 0.71 0.00 0.00 56.30 56.81 2khj h ASN 4 Cb 1.99 0.00 -0.03 0.00 0.73 0.00 0.00 38.32 41.01 2khj h ASN 4 CO -0.01 0.78 0.35 -0.25 -1.29 0.00 0.00 177.43 177.01 2khj h TRP 5 N -0.85 0.47 -0.97 0.67 7.01 -0.97 -3.25 115.95 118.06 2khj h TRP 5 Ca -0.00 0.01 0.27 0.00 2.11 0.00 0.00 58.89 61.28 2khj h TRP 5 Cb 0.78 -0.15 -0.05 0.00 -2.10 0.00 0.00 29.16 27.63 2khj h TRP 5 CO 0.20 0.25 0.68 -0.24 -2.79 0.00 0.00 178.44 176.54 2khj h VAL 6 N 0.47 0.54 0.00 2.65 3.04 -1.23 0.25 116.25 121.97 2khj h VAL 6 Ca 0.22 -0.04 -0.11 0.00 -1.01 0.00 0.00 66.70 65.77 2khj h VAL 6 Cb 0.29 0.43 -0.02 0.00 -2.01 0.00 0.00 31.29 29.98 2khj h VAL 6 CO -0.06 0.02 -0.53 0.00 -1.01 0.00 0.00 177.57 175.99 2khj h ALA 7 N 1.54 0.67 0.05 3.17 0.00 -1.85 -3.37 119.26 119.48 2khj h ALA 7 Ca 0.48 -0.49 -0.38 0.00 0.00 0.00 0.00 54.91 54.52 2khj h ALA 7 Cb 1.71 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 19.37 2khj h ALA 7 CO -0.06 0.67 -2.28 1.28 0.00 0.00 0.00 179.25 178.86 2khj n LEU 8 N -3.26 2.73 -4.55 0.00 4.77 -0.28 -5.06 117.00 111.36 2khj n LEU 8 Ca 0.02 0.01 -0.30 0.00 -0.03 0.00 0.00 56.01 55.70 2khj n LEU 8 Cb 0.73 -0.94 -0.11 0.00 -2.33 0.00 0.00 43.42 40.78 2khj n LEU 8 CO 0.41 0.89 -0.43 0.21 -1.33 0.00 0.00 177.39 177.13 2khj s ASN 9 N -6.69 4.28 -0.07 -1.43 3.84 0.71 -5.14 114.94 110.44 2khj s ASN 9 Ca -0.29 -0.38 -0.01 0.00 0.21 0.00 0.00 52.86 52.39 2khj s ASN 9 Cb 0.08 -0.80 -0.03 0.00 -0.55 0.00 0.00 41.25 39.94 2khj s ASN 9 CO 0.68 0.21 0.01 -0.54 -2.79 0.00 0.00 177.10 174.66 2khj s LYS 10 N -1.96 2.96 0.39 0.43 -0.14 -1.26 -4.63 119.74 115.53 2khj s LYS 10 Ca 0.19 -0.44 -0.25 0.00 -1.36 0.00 0.00 55.97 54.11 2khj s LYS 10 Cb -0.11 -2.79 -0.09 0.00 -1.68 0.00 0.00 37.83 33.17 2khj s LYS 10 CO 0.11 0.69 1.10 0.15 -0.76 0.00 0.00 175.35 176.64 2khj s LYS 11 N -1.07 4.16 0.00 1.68 1.02 -1.26 -3.90 119.74 120.37 2khj s LYS 11 Ca 0.15 1.68 0.00 0.00 0.02 0.00 0.00 55.97 57.82 2khj s LYS 11 Cb -0.11 -2.66 0.00 0.00 -0.52 0.00 0.00 37.83 34.53 2khj s LYS 11 CO 0.05 -0.19 0.00 0.41 -0.92 0.00 0.00 175.35 174.70 2khj n GLY 12 N 0.56 0.53 4.00 -3.33 0.00 0.24 -4.99 105.19 102.20 2khj n GLY 12 Ca 0.04 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.88 2khj n GLY 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2khj s ALA 13 N -2.00 4.36 -0.06 4.61 0.00 -1.21 -4.86 121.76 122.59 2khj s ALA 13 Ca 0.00 -1.56 0.04 0.00 0.00 0.00 0.00 51.96 50.45 2khj s ALA 13 Cb 0.00 -1.71 -0.02 0.00 0.00 0.00 0.00 23.12 21.39 2khj s ALA 13 CO 0.00 -0.28 -0.20 0.96 0.00 0.00 0.00 175.76 176.24 2khj s ILE 14 N -2.37 2.54 0.21 0.00 -4.36 -1.26 0.49 121.20 116.45 2khj s ILE 14 Ca 0.53 -0.90 0.05 0.00 -0.26 0.00 0.00 60.65 60.07 2khj s ILE 14 Cb -0.10 -1.97 -0.05 0.00 1.25 0.00 0.00 42.46 41.59 2khj s ILE 14 CO 0.33 0.57 -0.05 0.54 0.24 0.00 0.00 174.94 176.57 2khj s VAL 15 N -0.29 1.21 -0.12 8.37 0.11 0.18 -4.94 120.40 124.91 2khj s VAL 15 Ca 0.01 -2.07 0.01 0.00 -2.93 0.00 0.00 61.98 57.00 2khj s VAL 15 Cb -0.13 -2.16 -0.01 0.00 -1.53 0.00 0.00 36.38 32.55 2khj s VAL 15 CO 0.03 -0.49 -0.15 -0.89 -3.33 0.00 0.00 175.10 170.27 2khj s THR 16 N -3.31 2.89 0.32 5.04 2.01 -1.26 -0.92 115.64 120.41 2khj s THR 16 Ca 0.24 -0.73 0.04 0.00 0.31 0.00 0.00 61.69 61.55 2khj s THR 16 Cb 0.04 -2.19 -0.03 0.00 0.01 0.00 0.00 72.50 70.33 2khj s THR 16 CO 0.06 0.54 0.18 -0.83 -0.69 0.00 0.00 174.62 173.88 2khj s GLY 17 N 0.25 2.20 0.04 4.40 0.00 -0.03 -4.70 107.32 109.48 2khj s GLY 17 Ca -0.10 -1.74 0.05 0.00 0.00 0.00 0.00 44.72 42.93 2khj s GLY 17 CO 0.06 -1.59 -0.16 -1.59 0.00 0.00 0.00 173.10 169.82 2khj s LYS 18 N -3.72 1.04 -0.13 2.90 -2.85 0.83 -0.82 119.74 116.99 2khj s LYS 18 Ca 0.35 -0.80 -0.29 0.00 -1.00 0.00 0.00 55.97 54.22 2khj s LYS 18 Cb 0.04 -1.07 -0.01 0.00 -2.06 0.00 0.00 37.83 34.72 2khj s LYS 18 CO 0.19 0.27 1.10 0.08 0.10 0.00 0.00 175.35 177.10 2khj s VAL 19 N -0.84 4.54 0.00 1.79 1.01 0.20 0.31 120.40 127.41 2khj s VAL 19 Ca 0.03 1.85 0.00 0.00 0.00 0.00 0.00 61.98 63.85 2khj s VAL 19 Cb -0.08 -4.19 0.00 0.00 0.00 0.00 0.00 36.38 32.11 2khj s VAL 19 CO 0.01 -0.06 0.00 0.41 0.00 0.00 0.00 175.10 175.46 2khj n THR 20 N 4.88 0.00 -3.49 3.92 -1.04 -0.86 0.69 114.28 118.38 2khj n THR 20 Ca 0.11 -0.02 -0.15 0.00 -2.04 0.00 0.00 64.05 61.95 2khj n THR 20 Cb 0.47 0.32 -0.04 0.00 -1.82 0.00 0.00 70.33 69.25 2khj n THR 20 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2khj s ALA 21 N -1.03 -1.74 0.01 2.41 0.00 -1.16 -4.97 121.76 115.29 2khj s ALA 21 Ca 0.00 1.07 0.07 0.00 0.00 0.00 0.00 51.96 53.11 2khj s ALA 21 Cb 0.00 0.23 -0.03 0.00 0.00 0.00 0.00 23.12 23.32 2khj s ALA 21 CO 0.00 -0.51 -0.21 0.14 0.00 0.00 0.00 175.76 175.18 2khj s VAL 22 N -2.09 2.51 0.40 0.00 -7.23 -1.26 -0.83 120.40 111.90 2khj s VAL 22 Ca -0.05 -1.14 0.08 0.00 -1.81 0.00 0.00 61.98 59.05 2khj s VAL 22 Cb -0.00 -1.98 -0.02 0.00 0.56 0.00 0.00 36.38 34.93 2khj s VAL 22 CO 0.01 0.44 0.37 -1.81 -0.31 0.00 0.00 175.10 173.80 2khj s ASP 23 N -1.08 5.10 0.31 4.85 1.01 0.05 -4.93 116.67 121.98 2khj s ASP 23 Ca 0.12 -0.70 -0.01 0.00 0.71 0.00 0.00 52.55 52.67 2khj s ASP 23 Cb -0.10 -0.63 0.49 0.00 1.01 0.00 0.00 42.92 43.68 2khj s ASP 23 CO 0.02 -0.61 1.97 0.00 0.21 0.00 0.00 175.17 176.76 2khj h ALA 24 N 1.06 1.43 -0.03 5.23 0.00 -2.02 -2.13 119.26 122.80 2khj h ALA 24 Ca -0.42 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.43 2khj h ALA 24 Cb 1.26 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.75 2khj h ALA 24 CO 0.57 0.52 0.00 1.17 0.00 0.00 0.00 179.25 181.51 2khj n LYS 25 N -4.41 1.24 -4.36 0.00 4.81 -1.26 -5.07 118.16 109.11 2khj n LYS 25 Ca 0.08 -1.46 -0.19 0.00 -0.87 0.00 0.00 58.31 55.87 2khj n LYS 25 Cb 0.04 -1.31 -0.10 0.00 0.02 0.00 0.00 35.03 33.68 2khj n LYS 25 CO 0.00 0.00 0.00 0.20 1.17 0.00 0.00 177.40 178.77 2khj s GLY 26 N -1.32 1.56 -0.03 3.14 0.00 -0.80 -3.34 107.32 106.52 2khj s GLY 26 Ca 0.19 -1.75 -0.01 0.00 0.00 0.00 0.00 44.72 43.15 2khj s GLY 26 CO 0.20 -1.74 0.06 0.00 0.00 0.00 0.00 173.10 171.61 2khj s ALA 27 N -3.14 -0.02 -0.20 3.20 0.00 -0.87 -0.77 121.76 119.96 2khj s ALA 27 Ca 0.26 0.37 -0.06 0.00 0.00 0.00 0.00 51.96 52.53 2khj s ALA 27 Cb 0.03 -0.28 -0.03 0.00 0.00 0.00 0.00 23.12 22.84 2khj s ALA 27 CO 0.08 -0.11 0.02 0.99 0.00 0.00 0.00 175.76 176.75 2khj s THR 28 N 0.98 4.26 -0.09 0.00 2.01 -0.01 -0.34 115.64 122.45 2khj s THR 28 Ca -0.08 -0.21 0.00 0.00 0.31 0.00 0.00 61.69 61.71 2khj s THR 28 Cb -0.11 -2.93 -0.03 0.00 0.01 0.00 0.00 72.50 69.45 2khj s THR 28 CO -0.03 0.43 -0.08 0.54 -0.69 0.00 0.00 174.62 174.78 2khj s VAL 29 N 0.80 3.54 -0.21 3.82 0.11 -1.09 -2.04 120.40 125.33 2khj s VAL 29 Ca 0.02 -0.53 -0.20 0.00 -2.93 0.00 0.00 61.98 58.34 2khj s VAL 29 Cb -0.14 -2.46 -0.03 0.00 -1.53 0.00 0.00 36.38 32.23 2khj s VAL 29 CO 0.02 0.57 0.60 -0.70 -3.33 0.00 0.00 175.10 172.26 2khj s GLU 30 N -0.46 4.18 0.00 1.54 2.12 0.15 -1.24 118.70 124.98 2khj s GLU 30 Ca 0.07 0.54 0.12 0.00 0.36 0.00 0.00 54.97 56.06 2khj s GLU 30 Cb -0.12 -3.59 0.20 0.00 0.26 0.00 0.00 34.13 30.88 2khj s GLU 30 CO 0.02 -0.25 1.05 1.28 -0.54 0.00 0.00 175.26 176.82 2khj n LEU 31 N 5.12 2.45 -0.62 2.70 4.77 0.15 -0.12 117.00 131.44 2khj n LEU 31 Ca -0.02 -1.40 0.08 0.00 -0.03 0.00 0.00 56.01 54.64 2khj n LEU 31 Cb 0.50 -0.10 -0.04 0.00 -2.33 0.00 0.00 43.42 41.45 2khj n LEU 31 CO 0.43 0.53 -0.25 0.00 -1.33 0.00 0.00 177.39 176.77 2khj n ALA 32 N 0.69 -1.64 -0.96 -1.18 0.00 -1.06 -4.75 120.51 111.61 2khj n ALA 32 Ca 0.10 0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.91 2khj n ALA 32 Cb 0.37 -0.66 0.00 0.00 0.00 0.00 0.00 19.45 19.15 2khj n ALA 32 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2khj n ASP 33 N -3.11 -3.31 0.00 0.00 2.03 -1.26 -1.59 116.55 109.31 2khj n ASP 33 Ca -0.03 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.28 2khj n ASP 33 Cb 0.29 -1.51 0.00 0.00 -0.72 0.00 0.00 41.12 39.18 2khj n ASP 33 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2khj n GLY 34 N -1.57 0.86 3.87 0.27 0.00 -1.26 -5.05 105.19 102.32 2khj n GLY 34 Ca 0.00 -0.11 -0.34 0.00 0.00 0.00 0.00 46.02 45.57 2khj n GLY 34 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2khj s VAL 35 N -2.00 5.15 0.14 1.61 1.01 -0.62 -4.21 120.40 121.47 2khj s VAL 35 Ca 0.00 0.33 0.07 0.00 0.00 0.00 0.00 61.98 62.38 2khj s VAL 35 Cb 0.00 -3.63 -0.04 0.00 0.00 0.00 0.00 36.38 32.72 2khj s VAL 35 CO 0.00 0.27 -0.16 -1.61 0.00 0.00 0.00 175.10 173.61 2khj s GLU 36 N -1.98 1.11 0.00 2.72 2.02 -1.26 0.29 118.70 121.61 2khj s GLU 36 Ca 0.33 -1.30 0.00 0.00 0.02 0.00 0.00 54.97 54.02 2khj s GLU 36 Cb -0.14 -1.05 0.00 0.00 0.10 0.00 0.00 34.13 33.04 2khj s GLU 36 CO 0.18 0.21 0.00 0.41 0.02 0.00 0.00 175.26 176.08 2khj n GLY 37 N 0.44 3.74 3.64 -1.39 0.00 -0.38 -4.61 105.19 106.63 2khj n GLY 37 Ca -0.15 -0.64 -0.35 0.00 0.00 0.00 0.00 46.02 44.88 2khj n GLY 37 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2khj s TYR 38 N -0.92 3.13 -0.22 1.61 2.02 -1.26 -2.68 117.35 119.02 2khj s TYR 38 Ca 0.00 0.10 -0.01 0.00 -0.37 0.00 0.00 57.07 56.80 2khj s TYR 38 Cb 0.00 -1.82 0.02 0.00 -0.40 0.00 0.00 41.96 39.76 2khj s TYR 38 CO 0.00 0.37 -0.12 -1.17 -1.57 0.00 0.00 175.55 173.06 2khj s LEU 39 N -0.63 2.75 0.09 -1.29 1.98 0.54 -4.65 118.68 117.48 2khj s LEU 39 Ca 0.10 -0.75 -0.30 0.00 -2.89 0.00 0.00 54.13 50.29 2khj s LEU 39 Cb -0.12 -1.59 -0.05 0.00 0.66 0.00 0.00 46.19 45.08 2khj s LEU 39 CO 0.02 -0.07 0.96 -0.13 -1.89 0.00 0.00 176.35 175.24 2khj s ARG 40 N 1.32 4.67 0.36 1.98 1.81 -1.26 -2.06 118.95 125.76 2khj s ARG 40 Ca 0.02 1.43 0.18 0.00 -1.72 0.00 0.00 55.73 55.65 2khj s ARG 40 Cb -0.15 -3.39 0.57 0.00 -0.45 0.00 0.00 34.95 31.53 2khj s ARG 40 CO -0.08 0.18 1.68 0.00 -0.68 0.00 0.00 175.30 176.40 2khj h ALA 41 N 5.77 0.92 0.01 2.13 0.00 -1.90 -0.06 119.26 126.13 2khj h ALA 41 Ca -0.43 -0.36 -0.19 0.00 0.00 0.00 0.00 54.91 53.93 2khj h ALA 41 Cb 1.21 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.92 2khj h ALA 41 CO 0.72 0.50 -0.86 0.66 0.00 0.00 0.00 179.25 180.27 2khj h SER 42 N 0.00 0.11 0.00 0.00 4.64 -1.93 -3.26 113.55 113.11 2khj h SER 42 Ca -0.00 -0.10 -0.32 0.00 -0.47 0.00 0.00 61.79 60.90 2khj h SER 42 Cb 0.99 -0.04 -0.06 0.00 -0.31 0.00 0.00 62.40 62.99 2khj h SER 42 CO 0.05 0.92 -2.20 -0.62 -0.87 0.00 0.00 176.83 174.11 2khj n GLU 43 N -3.59 0.73 0.14 4.77 -0.58 -1.19 -4.69 120.64 116.23 2khj n GLU 43 Ca -0.02 0.09 0.02 0.00 -0.42 0.00 0.00 57.16 56.83 2khj n GLU 43 Cb 0.81 -1.43 0.10 0.00 -0.57 0.00 0.00 31.44 30.35 2khj n GLU 43 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2khj h ALA 44 N 0.22 0.72 -3.08 0.62 0.00 -1.19 -3.47 119.26 113.09 2khj h ALA 44 Ca -0.47 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 53.94 2khj h ALA 44 Cb 1.82 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.52 2khj h ALA 44 CO -0.05 0.68 0.00 -1.13 0.00 0.00 0.00 179.25 178.76 2khj n SER 45 N -3.35 0.00 -0.27 0.00 3.41 -1.23 -4.96 113.62 107.22 2khj n SER 45 Ca 0.01 -0.18 0.04 0.00 -0.26 0.00 0.00 58.87 58.48 2khj n SER 45 Cb 0.70 0.00 0.02 0.00 -0.26 0.00 0.00 64.21 64.67 2khj n SER 45 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 2khj n ARG 46 N -0.18 0.61 -2.32 4.33 0.63 -1.26 -5.04 116.66 113.43 2khj n ARG 46 Ca 0.00 -0.84 -0.00 0.00 -0.92 0.00 0.00 57.85 56.08 2khj n ARG 46 Cb 0.00 -1.11 0.00 0.00 0.45 0.00 0.00 32.46 31.80 2khj n ARG 46 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 2khj n ASP 47 N 0.24 -5.08 0.00 6.15 8.00 -1.26 -5.10 116.55 119.50 2khj n ASP 47 Ca 0.04 -0.02 0.00 0.00 0.71 0.00 0.00 54.79 55.52 2khj n ASP 47 Cb 0.18 -3.29 0.00 0.00 -0.02 0.00 0.00 41.12 37.99 2khj n ASP 47 CO 0.00 0.00 0.00 -2.11 -0.39 0.00 0.00 177.20 174.70 2khj n ARG 48 N -1.34 0.16 0.08 -1.24 1.85 -1.26 -5.07 116.66 109.83 2khj n ARG 48 Ca 0.00 0.00 -0.06 0.00 -1.00 0.00 0.00 57.85 56.79 2khj n ARG 48 Cb 0.48 0.00 0.08 0.00 -1.05 0.00 0.00 32.46 31.98 2khj n ARG 48 CO 0.00 0.00 0.00 -0.39 -0.01 0.00 0.00 177.63 177.23 2khj h VAL 49 N 0.00 1.42 -3.44 8.89 -1.51 -2.04 -3.40 116.25 116.17 2khj h VAL 49 Ca 0.00 -2.16 -0.67 0.00 -1.23 0.00 0.00 66.70 62.64 2khj h VAL 49 Cb 0.00 2.13 -0.29 0.00 -2.13 0.00 0.00 31.29 31.00 2khj h VAL 49 CO 0.00 0.63 -0.82 -1.61 -1.23 0.00 0.00 177.57 174.55 2khj s GLU 50 N -3.60 3.13 0.00 5.19 2.02 -1.26 -5.05 118.70 119.13 2khj s GLU 50 Ca -0.04 -0.78 0.00 0.00 0.02 0.00 0.00 54.97 54.18 2khj s GLU 50 Cb 0.11 -2.45 0.00 0.00 0.10 0.00 0.00 34.13 31.89 2khj s GLU 50 CO 0.81 0.24 0.00 -0.25 0.02 0.00 0.00 175.26 176.08 2khj n ASP 51 N 3.39 0.00 0.14 -0.19 8.00 -1.26 -4.55 116.55 122.08 2khj n ASP 51 Ca -0.18 0.00 0.05 0.00 0.71 0.00 0.00 54.79 55.36 2khj n ASP 51 Cb 0.53 0.00 0.25 0.00 -0.02 0.00 0.00 41.12 41.88 2khj n ASP 51 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2khj n ALA 52 N -3.00 0.51 0.13 2.24 0.00 -1.26 -1.71 120.51 117.41 2khj n ALA 52 Ca 0.00 0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.53 2khj n ALA 52 Cb 0.00 -0.62 0.04 0.00 0.00 0.00 0.00 19.45 18.87 2khj n ALA 52 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 2khj h THR 53 N 0.00 1.13 0.19 0.00 1.35 -1.86 -2.73 112.91 110.99 2khj h THR 53 Ca 0.00 -2.43 -0.27 0.00 -0.55 0.00 0.00 66.41 63.15 2khj h THR 53 Cb 0.73 2.45 0.03 0.00 -1.73 0.00 0.00 68.15 69.63 2khj h THR 53 CO 0.00 0.61 -1.24 0.25 -0.25 0.00 0.00 175.52 174.89 2khj h LEU 54 N 0.00 0.63 -2.59 3.87 6.46 -1.57 -3.41 115.31 118.71 2khj h LEU 54 Ca -0.01 -0.93 0.00 0.00 -0.12 0.00 0.00 57.88 56.83 2khj h LEU 54 Cb 1.40 -0.21 0.00 0.00 -0.73 0.00 0.00 40.66 41.12 2khj h LEU 54 CO 0.08 1.59 -0.09 1.33 -0.62 0.00 0.00 178.44 180.73 2khj n VAL 55 N -3.89 1.08 -4.29 1.05 0.24 -1.25 -4.96 118.33 106.31 2khj n VAL 55 Ca -0.17 -1.24 -0.20 0.00 -2.04 0.00 0.00 64.34 60.69 2khj n VAL 55 Cb 0.97 0.25 -0.16 0.00 -1.47 0.00 0.00 33.84 33.43 2khj n VAL 55 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 2khj s LEU 56 N -1.49 1.62 0.26 1.34 1.02 -1.03 -5.06 118.68 115.34 2khj s LEU 56 Ca 0.13 -0.16 0.09 0.00 0.02 0.00 0.00 54.13 54.21 2khj s LEU 56 Cb 0.12 -0.50 -0.04 0.00 0.02 0.00 0.00 46.19 45.78 2khj s LEU 56 CO 0.01 0.02 0.05 -0.55 0.02 0.00 0.00 176.35 175.90 2khj s SER 57 N 0.48 4.80 -0.13 2.29 0.15 -1.26 -4.60 113.70 115.43 2khj s SER 57 Ca -0.07 -0.54 -0.29 0.00 0.70 0.00 0.00 55.95 55.74 2khj s SER 57 Cb -0.11 -0.99 -0.02 0.00 -1.71 0.00 0.00 66.02 63.19 2khj s SER 57 CO 0.01 -0.01 1.27 -0.69 1.20 0.00 0.00 173.24 175.02 2khj s VAL 58 N -2.27 4.23 0.00 4.45 1.01 -1.26 -2.50 120.40 124.05 2khj s VAL 58 Ca 0.32 1.50 0.00 0.00 0.00 0.00 0.00 61.98 63.80 2khj s VAL 58 Cb -0.07 -3.97 0.00 0.00 0.00 0.00 0.00 36.38 32.34 2khj s VAL 58 CO 0.21 -0.10 0.00 0.61 0.00 0.00 0.00 175.10 175.82 2khj n GLY 59 N 3.58 0.38 3.83 4.51 0.00 0.22 -4.99 105.19 112.71 2khj n GLY 59 Ca 0.13 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.78 2khj n GLY 59 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2khj s ASP 60 N -2.73 6.64 0.31 1.61 2.15 -1.04 -4.81 116.67 118.80 2khj s ASP 60 Ca 0.00 0.76 -0.09 0.00 0.43 0.00 0.00 52.55 53.64 2khj s ASP 60 Cb 0.00 -2.19 -0.07 0.00 -0.30 0.00 0.00 42.92 40.36 2khj s ASP 60 CO 0.00 0.31 0.65 -1.61 -0.17 0.00 0.00 175.17 174.34 2khj s GLU 61 N -0.80 3.78 0.09 4.34 2.02 -1.26 -0.63 118.70 126.23 2khj s GLU 61 Ca 0.20 0.32 -0.01 0.00 0.02 0.00 0.00 54.97 55.50 2khj s GLU 61 Cb -0.15 -2.53 -0.04 0.00 0.10 0.00 0.00 34.13 31.51 2khj s GLU 61 CO 0.09 0.15 0.01 0.14 0.02 0.00 0.00 175.26 175.68 2khj s VAL 62 N -2.09 0.16 0.02 2.63 -7.23 0.00 -4.94 120.40 108.96 2khj s VAL 62 Ca 0.49 -1.85 0.07 0.00 -1.81 0.00 0.00 61.98 58.88 2khj s VAL 62 Cb -0.11 -1.76 -0.02 0.00 0.56 0.00 0.00 36.38 35.05 2khj s VAL 62 CO 0.26 -0.74 -0.21 -1.61 -0.31 0.00 0.00 175.10 172.49 2khj s GLU 63 N -3.98 1.50 0.21 4.82 2.02 -1.26 -0.85 118.70 121.15 2khj s GLU 63 Ca 0.15 -0.85 -0.04 0.00 0.02 0.00 0.00 54.97 54.24 2khj s GLU 63 Cb 0.08 -1.54 -0.03 0.00 0.10 0.00 0.00 34.13 32.73 2khj s GLU 63 CO -0.04 0.41 0.23 0.00 0.02 0.00 0.00 175.26 175.87 2khj s ALA 64 N -0.67 0.76 -0.20 5.21 0.00 -0.10 -4.24 121.76 122.53 2khj s ALA 64 Ca 0.08 -1.46 -0.10 0.00 0.00 0.00 0.00 51.96 50.48 2khj s ALA 64 Cb -0.08 1.28 -0.05 0.00 0.00 0.00 0.00 23.12 24.27 2khj s ALA 64 CO 0.01 -0.66 0.12 0.21 0.00 0.00 0.00 175.76 175.44 2khj s LYS 65 N -4.12 4.14 -0.50 0.00 2.47 0.51 -0.65 119.74 121.61 2khj s LYS 65 Ca 0.34 -0.23 -0.17 0.00 -1.56 0.00 0.00 55.97 54.35 2khj s LYS 65 Cb 0.05 -3.39 0.07 0.00 -1.46 0.00 0.00 37.83 33.10 2khj s LYS 65 CO 0.11 0.31 0.50 0.12 0.16 0.00 0.00 175.35 176.55 2khj s PHE 66 N 0.31 3.16 -0.09 4.03 5.36 0.18 -1.90 117.98 129.04 2khj s PHE 66 Ca 0.08 -0.83 0.02 0.00 -0.96 0.00 0.00 56.93 55.24 2khj s PHE 66 Cb -0.11 -3.40 -0.06 0.00 -0.34 0.00 0.00 43.02 39.10 2khj s PHE 66 CO -0.02 -0.93 -0.06 -2.37 -1.46 0.00 0.00 175.22 170.39 2khj n THR 67 N 5.37 0.51 -3.86 0.12 5.66 -0.99 0.80 114.28 121.89 2khj n THR 67 Ca -0.10 -0.22 -0.05 0.00 -3.05 0.00 0.00 64.05 60.62 2khj n THR 67 Cb 0.44 -0.82 0.02 0.00 -1.55 0.00 0.00 70.33 68.43 2khj n THR 67 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 175.07 171.19 2khj s GLY 68 N -4.65 0.26 -0.02 1.09 0.00 -0.97 -4.59 107.32 98.43 2khj s GLY 68 Ca -0.10 -0.55 0.06 0.00 0.00 0.00 0.00 44.72 44.12 2khj s GLY 68 CO 0.22 1.52 -0.20 0.54 0.00 0.00 0.00 173.10 175.18 2khj s VAL 69 N -2.10 1.56 -0.22 1.40 0.11 -1.26 -0.61 120.40 119.28 2khj s VAL 69 Ca 0.20 -0.83 -0.10 0.00 -2.93 0.00 0.00 61.98 58.32 2khj s VAL 69 Cb -0.04 -1.31 -0.05 0.00 -1.53 0.00 0.00 36.38 33.46 2khj s VAL 69 CO 0.08 0.44 0.13 -1.81 -3.33 0.00 0.00 175.10 170.61 2khj s ASP 70 N -0.36 6.01 0.37 3.54 1.01 -0.23 -4.97 116.67 122.04 2khj s ASP 70 Ca 0.05 0.13 0.27 0.00 0.71 0.00 0.00 52.55 53.71 2khj s ASP 70 Cb -0.09 -2.07 1.13 0.00 1.01 0.00 0.00 42.92 42.91 2khj s ASP 70 CO -0.00 0.12 1.81 0.08 0.21 0.00 0.00 175.17 177.39 2khj h ARG 71 N 7.11 0.00 -0.09 8.23 0.11 -1.97 -2.29 114.38 125.49 2khj h ARG 71 Ca -0.39 0.00 -0.19 0.00 0.10 0.00 0.00 59.98 59.50 2khj h ARG 71 Cb 1.16 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.24 2khj h ARG 71 CO 0.70 0.00 -0.73 -0.22 0.10 0.00 0.00 179.97 179.81 2khj h LYS 72 N 0.00 0.46 0.00 0.08 3.64 -1.95 -3.31 116.57 115.49 2khj h LYS 72 Ca 0.00 -0.37 0.00 0.00 -1.27 0.00 0.00 60.65 59.01 2khj h LYS 72 Cb 0.42 0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.31 2khj h LYS 72 CO 0.00 1.01 -1.43 0.09 -2.27 0.00 0.00 179.45 176.84 2khj n ASN 73 N -3.85 0.63 -2.78 4.20 3.02 -1.11 -4.98 115.26 110.39 2khj n ASN 73 Ca -0.05 -0.49 -0.21 0.00 -0.03 0.00 0.00 54.58 53.80 2khj n ASN 73 Cb 0.71 1.46 0.01 0.00 -0.61 0.00 0.00 39.78 41.36 2khj n ASN 73 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2khj n ARG 74 N -1.84 -3.41 -4.28 3.52 5.12 -0.88 -4.98 116.66 109.91 2khj n ARG 74 Ca 0.00 0.88 -0.15 0.00 -1.93 0.00 0.00 57.85 56.65 2khj n ARG 74 Cb 0.42 -5.64 -0.10 0.00 -1.16 0.00 0.00 32.46 25.98 2khj n ARG 74 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2khj s ALA 75 N -3.06 1.56 -0.02 7.54 0.00 -1.21 -4.02 121.76 122.55 2khj s ALA 75 Ca 0.18 -1.72 -0.14 0.00 0.00 0.00 0.00 51.96 50.27 2khj s ALA 75 Cb -0.08 0.72 -0.05 0.00 0.00 0.00 0.00 23.12 23.70 2khj s ALA 75 CO 0.22 -0.36 0.39 0.96 0.00 0.00 0.00 175.76 176.97 2khj s ILE 76 N -3.65 5.08 -0.25 0.00 -4.36 -1.26 -1.07 121.20 115.69 2khj s ILE 76 Ca 0.30 0.79 -0.03 0.00 -0.26 0.00 0.00 60.65 61.45 2khj s ILE 76 Cb 0.07 -3.69 0.02 0.00 1.25 0.00 0.00 42.46 40.10 2khj s ILE 76 CO 0.08 0.56 -0.04 -0.94 0.24 0.00 0.00 174.94 174.84 2khj s SER 77 N -0.88 4.43 -0.02 4.36 1.04 0.22 -4.27 113.70 118.57 2khj s SER 77 Ca 0.23 -0.75 0.01 0.00 0.48 0.00 0.00 55.95 55.92 2khj s SER 77 Cb -0.16 -1.71 0.01 0.00 0.10 0.00 0.00 66.02 64.26 2khj s SER 77 CO 0.12 -0.12 -0.03 -1.48 0.98 0.00 0.00 173.24 172.71 2khj s LEU 78 N 1.38 1.55 -0.01 2.42 -0.00 -1.26 -2.30 118.68 120.46 2khj s LEU 78 Ca 0.02 -0.07 0.01 0.00 -0.00 0.00 0.00 54.13 54.09 2khj s LEU 78 Cb -0.16 -0.28 -0.04 0.00 -0.00 0.00 0.00 46.19 45.71 2khj s LEU 78 CO -0.03 -0.02 -0.00 -0.94 -0.00 0.00 0.00 176.35 175.35 2khj s SER 79 N 0.53 5.10 0.33 1.48 1.04 -0.80 -4.35 113.70 117.03 2khj s SER 79 Ca -0.06 -0.00 0.09 0.00 0.48 0.00 0.00 55.95 56.46 2khj s SER 79 Cb -0.09 -1.33 0.50 0.00 0.10 0.00 0.00 66.02 65.20 2khj s SER 79 CO -0.01 0.29 1.13 0.55 0.98 0.00 0.00 173.24 176.19 2khj n VAL 80 N 1.46 0.42 0.30 5.02 3.14 -1.26 -0.36 118.33 127.05 2khj n VAL 80 Ca -0.15 0.75 0.15 0.00 -2.96 0.00 0.00 64.34 62.13 2khj n VAL 80 Cb 0.53 -1.75 0.91 0.00 -1.06 0.00 0.00 33.84 32.47 2khj n VAL 80 CO 0.00 0.00 0.00 0.03 -6.46 0.00 0.00 176.83 170.40 2khj h ARG 81 N 0.00 0.00 0.00 1.45 3.08 -1.87 -3.41 114.38 113.63 2khj h ARG 81 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2khj h ARG 81 Cb 0.87 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.92 2khj h ARG 81 CO 0.00 0.01 0.00 0.00 -1.07 0.00 0.00 179.97 178.91 2khj n ALA 82 N -2.31 0.00 -2.76 0.04 0.00 -1.26 -3.73 120.51 110.49 2khj n ALA 82 Ca -0.03 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.32 2khj n ALA 82 Cb 0.09 0.00 0.06 0.00 0.00 0.00 0.00 19.45 19.60 2khj n ALA 82 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 2khj n LYS 83 N 0.00 0.83 -3.55 0.00 3.00 -1.26 -4.83 118.16 112.35 2khj n LYS 83 Ca 0.00 -1.82 -0.08 0.00 -0.00 0.00 0.00 58.31 56.42 2khj n LYS 83 Cb 0.00 -1.37 -0.02 0.00 0.00 0.00 0.00 35.03 33.64 2khj n LYS 83 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.40 177.74 2khj s ASP 84 N -1.60 -0.35 0.00 3.14 2.15 -1.24 -5.20 116.67 113.58 2khj s ASP 84 Ca 0.30 -0.08 0.00 0.00 0.43 0.00 0.00 52.55 53.20 2khj s ASP 84 Cb 0.24 0.42 0.00 0.00 -0.30 0.00 0.00 42.92 43.29 2khj s ASP 84 CO -0.20 -0.71 0.00 -0.62 -0.17 0.00 0.00 175.17 173.47 2khj n GLU 85 N -0.30 0.00 -4.20 4.34 -0.58 -1.26 -4.80 120.64 113.84 2khj n GLU 85 Ca -0.09 0.00 -0.13 0.00 -0.42 0.00 0.00 57.16 56.52 2khj n GLU 85 Cb 0.62 0.00 -0.10 0.00 -0.57 0.00 0.00 31.44 31.39 2khj n GLU 85 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2khj s ALA 86 N -1.68 1.18 0.00 0.62 0.00 -1.26 -4.80 121.76 115.81 2khj s ALA 86 Ca 0.00 -1.34 0.00 0.00 0.00 0.00 0.00 51.96 50.62 2khj s ALA 86 Cb 0.00 0.08 0.00 0.00 0.00 0.00 0.00 23.12 23.20 2khj s ALA 86 CO 0.00 -0.12 0.00 -3.47 0.00 0.00 0.00 175.76 172.17 2khj n ASP 87 N 0.12 0.00 -3.44 0.00 2.03 -1.26 -4.90 116.55 109.11 2khj n ASP 87 Ca -0.13 0.00 -0.28 0.00 0.52 0.00 0.00 54.79 54.90 2khj n ASP 87 Cb 0.60 0.00 -0.11 0.00 -0.72 0.00 0.00 41.12 40.88 2khj n ASP 87 CO 0.00 0.00 0.00 -0.70 -1.92 0.00 0.00 177.20 174.58 2khj s GLU 88 N -0.75 0.74 0.00 -0.67 -6.30 -1.26 -5.37 118.70 105.08 2khj s GLU 88 Ca 0.00 -1.71 0.00 0.00 -2.50 0.00 0.00 54.97 50.76 2khj s GLU 88 Cb 0.00 -1.39 0.00 0.00 0.00 0.00 0.00 34.13 32.74 2khj s GLU 88 CO 0.00 -1.29 0.00 0.36 0.02 0.00 0.00 175.26 174.35