#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3knj s GLN 3 N 0.00 0.56 -0.39 5.31 -0.21 -1.26 -4.82 119.66 118.84 3knj s GLN 3 Ca 0.00 0.02 -0.24 0.00 0.02 0.00 0.00 55.36 55.16 3knj s GLN 3 Cb 0.00 -0.14 0.02 0.00 1.00 0.00 0.00 33.01 33.88 3knj s GLN 3 CO 0.00 -1.09 0.84 0.71 -2.12 0.00 0.00 175.29 173.63 3knj s TYR 4 N 2.33 3.06 -0.13 0.91 1.51 -1.22 -4.85 117.35 118.97 3knj s TYR 4 Ca 0.12 0.53 0.01 0.00 -1.01 0.00 0.00 57.07 56.72 3knj s TYR 4 Cb -0.11 -3.59 -0.01 0.00 -0.11 0.00 0.00 41.96 38.14 3knj s TYR 4 CO -0.21 -0.85 -0.16 -0.47 -1.11 0.00 0.00 175.55 172.75 3knj s TYR 5 N 3.33 2.76 0.41 2.71 6.04 -1.23 -1.23 117.35 130.14 3knj s TYR 5 Ca 0.34 -0.78 0.03 0.00 0.04 0.00 0.00 57.07 56.70 3knj s TYR 5 Cb -0.12 -1.82 -0.03 0.00 -1.04 0.00 0.00 41.96 38.94 3knj s TYR 5 CO 0.20 -0.29 0.09 0.20 -1.54 0.00 0.00 175.55 174.20 3knj s GLY 6 N 0.41 2.56 -0.15 8.97 0.00 -0.63 -4.38 107.32 114.10 3knj s GLY 6 Ca -0.12 -1.31 -0.04 0.00 0.00 0.00 0.00 44.72 43.25 3knj s GLY 6 CO 0.06 -1.90 0.13 -1.59 0.00 0.00 0.00 173.10 169.79 3knj s THR 7 N -3.15 -0.18 -0.21 0.90 2.01 -1.26 -2.69 115.64 111.06 3knj s THR 7 Ca 0.24 0.00 -0.10 0.00 0.31 0.00 0.00 61.69 62.14 3knj s THR 7 Cb 0.04 -0.50 -0.05 0.00 0.01 0.00 0.00 72.50 72.00 3knj s THR 7 CO 0.13 -0.14 0.15 -0.83 -0.69 0.00 0.00 174.62 173.24 3knj s GLY 8 N 2.21 2.02 -0.37 4.40 0.00 -0.34 -3.80 107.32 111.46 3knj s GLY 8 Ca 0.04 -0.76 0.02 0.00 0.00 0.00 0.00 44.72 44.01 3knj s GLY 8 CO -0.09 0.26 0.28 -1.60 0.00 0.00 0.00 173.10 171.96 3knj s ARG 9 N 0.66 0.63 -0.14 2.90 3.52 -1.26 0.41 118.95 125.67 3knj s ARG 9 Ca 0.08 -1.33 -0.00 0.00 -0.13 0.00 0.00 55.73 54.35 3knj s ARG 9 Cb -0.12 -1.15 0.03 0.00 -1.56 0.00 0.00 34.95 32.15 3knj s ARG 9 CO 0.01 -1.24 -0.09 0.50 -0.81 0.00 0.00 175.30 173.67 3knj s ARG 10 N 0.99 1.75 -0.25 5.12 3.52 -0.30 -4.86 118.95 124.92 3knj s ARG 10 Ca 0.20 -0.42 -0.15 0.00 -0.13 0.00 0.00 55.73 55.24 3knj s ARG 10 Cb -0.17 -1.85 0.02 0.00 -1.56 0.00 0.00 34.95 31.39 3knj s ARG 10 CO -0.03 -0.30 0.29 1.17 -0.81 0.00 0.00 175.30 175.62 3knj n LYS 11 N 4.87 -1.59 -3.97 5.12 4.81 -1.26 -3.45 118.16 122.69 3knj n LYS 11 Ca -0.14 1.48 -0.28 0.00 -0.87 0.00 0.00 58.31 58.50 3knj n LYS 11 Cb 0.49 -2.62 -0.02 0.00 0.02 0.00 0.00 35.03 32.90 3knj n LYS 11 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 3knj n GLU 12 N 0.52 -2.52 -3.25 1.64 -0.58 -1.26 -4.81 120.64 110.38 3knj n GLU 12 Ca -0.01 0.35 0.03 0.00 -0.42 0.00 0.00 57.16 57.11 3knj n GLU 12 Cb 0.48 -4.23 -0.03 0.00 -0.57 0.00 0.00 31.44 27.09 3knj n GLU 12 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3knj s ALA 13 N -3.92 -3.16 0.10 0.62 0.00 -1.22 -1.84 121.76 112.33 3knj s ALA 13 Ca 0.10 1.75 0.08 0.00 0.00 0.00 0.00 51.96 53.89 3knj s ALA 13 Cb -0.04 -2.29 -0.03 0.00 0.00 0.00 0.00 23.12 20.76 3knj s ALA 13 CO 0.90 -1.13 -0.19 0.08 0.00 0.00 0.00 175.76 175.42 3knj s VAL 14 N 2.49 1.61 0.01 0.00 1.01 -1.01 -1.15 120.40 123.36 3knj s VAL 14 Ca -0.02 -1.53 0.01 0.00 0.00 0.00 0.00 61.98 60.45 3knj s VAL 14 Cb -0.06 -1.49 -0.01 0.00 0.00 0.00 0.00 36.38 34.82 3knj s VAL 14 CO -0.15 -0.11 -0.03 0.00 0.00 0.00 0.00 175.10 174.81 3knj s ALA 15 N -1.25 0.24 0.04 5.51 0.00 0.16 -0.72 121.76 125.75 3knj s ALA 15 Ca 0.05 -0.34 -0.14 0.00 0.00 0.00 0.00 51.96 51.53 3knj s ALA 15 Cb -0.10 0.02 -0.06 0.00 0.00 0.00 0.00 23.12 22.98 3knj s ALA 15 CO 0.04 -0.02 0.45 1.03 0.00 0.00 0.00 175.76 177.26 3knj s ARG 16 N -0.69 3.94 -0.53 0.00 0.52 0.10 -1.20 118.95 121.09 3knj s ARG 16 Ca -0.05 0.43 0.04 0.00 -0.52 0.00 0.00 55.73 55.62 3knj s ARG 16 Cb -0.05 -3.15 0.16 0.00 0.52 0.00 0.00 34.95 32.43 3knj s ARG 16 CO -0.00 0.64 0.37 0.08 0.02 0.00 0.00 175.30 176.40 3knj s VAL 17 N -1.19 1.69 0.36 3.52 1.01 -1.09 -3.33 120.40 121.36 3knj s VAL 17 Ca 0.28 -3.26 -0.07 0.00 0.00 0.00 0.00 61.98 58.93 3knj s VAL 17 Cb -0.16 -2.14 -0.05 0.00 0.00 0.00 0.00 36.38 34.03 3knj s VAL 17 CO 0.16 -1.04 0.66 -0.36 0.00 0.00 0.00 175.10 174.52 3knj s PHE 18 N -0.44 3.49 0.01 5.22 2.99 -1.04 -1.60 117.98 126.60 3knj s PHE 18 Ca 0.25 0.78 -0.07 0.00 0.00 0.00 0.00 56.93 57.90 3knj s PHE 18 Cb -0.08 -2.23 -0.00 0.00 0.00 0.00 0.00 43.02 40.70 3knj s PHE 18 CO -0.12 0.01 0.12 -0.51 -0.00 0.00 0.00 175.22 174.72 3knj s LEU 19 N -3.86 1.63 -0.11 -0.37 1.43 -0.36 -2.22 118.68 114.82 3knj s LEU 19 Ca 0.47 -0.26 -0.04 0.00 -1.03 0.00 0.00 54.13 53.26 3knj s LEU 19 Cb -0.10 0.62 0.05 0.00 0.03 0.00 0.00 46.19 46.79 3knj s LEU 19 CO 0.33 -0.37 0.23 -0.13 0.23 0.00 0.00 176.35 176.63 3knj s ARG 20 N -1.47 0.13 -0.59 1.70 3.00 -1.25 -3.37 118.95 117.09 3knj s ARG 20 Ca -0.14 0.64 -0.30 0.00 0.00 0.00 0.00 55.73 55.92 3knj s ARG 20 Cb -0.07 -0.12 -0.13 0.00 0.00 0.00 0.00 34.95 34.63 3knj s ARG 20 CO 0.01 -0.26 2.43 -2.30 0.00 0.00 0.00 175.30 175.18 3knj n PRO 21 N 5.05 0.76 -2.80 3.54 -0.02 -1.25 0.26 135.00 140.54 3knj n PRO 21 Ca -0.11 0.09 -0.06 0.00 -2.02 0.00 0.00 63.50 61.40 3knj n PRO 21 Cb 0.50 -2.59 0.01 0.00 -0.02 0.00 0.00 33.50 31.41 3knj n PRO 21 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3knj n GLY 22 N 6.31 1.55 0.24 -1.23 0.00 -1.01 -4.77 105.19 106.27 3knj n GLY 22 Ca 0.47 -1.23 0.17 0.00 0.00 0.00 0.00 46.02 45.43 3knj n GLY 22 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3knj n ASN 23 N -1.42 0.10 0.00 1.61 5.03 -1.26 -2.00 115.26 117.32 3knj n ASN 23 Ca -0.05 1.21 0.00 0.00 0.87 0.00 0.00 54.58 56.61 3knj n ASN 23 Cb 0.37 -0.52 0.00 0.00 -1.02 0.00 0.00 39.78 38.61 3knj n ASN 23 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3knj n GLY 24 N -1.27 1.55 3.52 7.41 0.00 -1.16 -4.29 105.19 110.95 3knj n GLY 24 Ca 0.23 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.83 3knj n GLY 24 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3knj n LYS 25 N 0.00 0.95 -3.33 1.61 2.85 -1.26 -4.48 118.16 114.50 3knj n LYS 25 Ca 0.00 0.13 -0.33 0.00 -1.05 0.00 0.00 58.31 57.06 3knj n LYS 25 Cb 0.00 -2.80 -0.06 0.00 -0.65 0.00 0.00 35.03 31.52 3knj n LYS 25 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 177.40 177.43 3knj s VAL 26 N 9.94 4.85 0.23 0.58 1.01 -1.26 -4.24 120.40 131.51 3knj s VAL 26 Ca 1.09 0.66 0.05 0.00 0.00 0.00 0.00 61.98 63.78 3knj s VAL 26 Cb -0.58 -3.64 -0.05 0.00 0.00 0.00 0.00 36.38 32.11 3knj s VAL 26 CO 0.37 -0.05 -0.05 -0.89 0.00 0.00 0.00 175.10 174.49 3knj s THR 27 N -1.80 1.31 -0.19 3.92 2.01 -1.05 -1.85 115.64 117.99 3knj s THR 27 Ca 0.48 -2.08 -0.07 0.00 0.31 0.00 0.00 61.69 60.32 3knj s THR 27 Cb -0.12 -2.27 0.09 0.00 0.01 0.00 0.00 72.50 70.21 3knj s THR 27 CO 0.20 -0.41 0.41 -0.69 -0.69 0.00 0.00 174.62 173.44 3knj s VAL 28 N -3.24 -0.56 0.00 3.82 1.01 0.83 -1.49 120.40 120.77 3knj s VAL 28 Ca 0.26 0.17 0.00 0.00 0.00 0.00 0.00 61.98 62.41 3knj s VAL 28 Cb 0.04 -0.65 0.00 0.00 0.00 0.00 0.00 36.38 35.77 3knj s VAL 28 CO 0.08 0.07 0.00 0.59 0.00 0.00 0.00 175.10 175.84 3knj n ASN 29 N 5.25 -5.00 0.00 3.32 4.13 0.14 -1.80 115.26 121.30 3knj n ASN 29 Ca -0.10 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.16 3knj n ASN 29 Cb 0.50 -3.21 0.00 0.00 -1.54 0.00 0.00 39.78 35.53 3knj n ASN 29 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3knj n GLY 30 N 0.62 1.29 3.40 7.41 0.00 -1.26 -5.09 105.19 111.57 3knj n GLY 30 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 3knj n GLY 30 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3knj s GLN 31 N -0.21 1.15 0.41 1.61 0.74 -0.75 -5.15 119.66 117.48 3knj s GLN 31 Ca 0.00 -0.37 -0.25 0.00 0.05 0.00 0.00 55.36 54.78 3knj s GLN 31 Cb 0.00 0.53 -0.08 0.00 1.10 0.00 0.00 33.01 34.55 3knj s GLN 31 CO 0.00 -0.46 1.27 0.34 -0.55 0.00 0.00 175.29 175.89 3knj s ASP 32 N -2.39 6.28 0.11 6.67 -1.08 -1.26 -0.12 116.67 124.88 3knj s ASP 32 Ca -0.02 2.59 -0.24 0.00 -0.52 0.00 0.00 52.55 54.36 3knj s ASP 32 Cb -0.00 -2.63 -0.07 0.00 -1.46 0.00 0.00 42.92 38.76 3knj s ASP 32 CO -0.07 -0.86 1.41 0.15 0.52 0.00 0.00 175.17 176.31 3knj h PHE 33 N 2.57 -1.35 -0.19 -5.34 3.57 -1.72 -2.66 116.94 111.84 3knj h PHE 33 Ca -0.49 0.08 -0.69 0.00 3.53 0.00 0.00 57.97 60.40 3knj h PHE 33 Cb 1.25 0.65 -0.00 0.00 2.79 0.00 0.00 35.95 40.64 3knj h PHE 33 CO 0.53 -0.33 3.55 0.09 -2.23 0.00 0.00 178.31 179.92 3knj n ASN 34 N -4.70 8.03 0.00 0.41 4.13 -1.26 -2.80 115.26 119.07 3knj n ASN 34 Ca -0.01 -2.69 0.00 0.00 1.68 0.00 0.00 54.58 53.56 3knj n ASN 34 Cb 0.23 -1.54 0.00 0.00 -1.54 0.00 0.00 39.78 36.93 3knj n ASN 34 CO 0.00 0.00 0.00 1.21 0.28 0.00 0.00 177.26 178.75 3knj n GLU 35 N 3.63 0.00 -0.02 3.52 2.13 -1.02 -4.90 120.64 123.99 3knj n GLU 35 Ca 0.73 0.00 -0.00 0.00 0.66 0.00 0.00 57.16 58.55 3knj n GLU 35 Cb 0.25 0.00 -0.00 0.00 0.27 0.00 0.00 31.44 31.96 3knj n GLU 35 CO 0.00 0.00 0.00 -0.92 -0.41 0.00 0.00 177.13 175.80 3knj h TYR 36 N 0.00 0.00 0.00 4.31 3.20 -1.34 -3.36 116.97 119.78 3knj h TYR 36 Ca 0.00 0.00 -0.63 0.00 3.14 0.00 0.00 58.73 61.24 3knj h TYR 36 Cb 0.00 0.00 0.02 0.00 1.54 0.00 0.00 36.73 38.29 3knj h TYR 36 CO 0.00 0.00 3.54 1.19 -1.64 0.00 0.00 178.16 181.25 3knj n PHE 37 N -2.81 2.37 -1.85 -3.82 0.99 -1.13 -4.93 117.46 106.29 3knj n PHE 37 Ca -0.00 -2.87 -0.42 0.00 -0.00 0.00 0.00 57.45 54.16 3knj n PHE 37 Cb 0.01 -2.35 -0.03 0.00 -1.00 0.00 0.00 39.48 36.11 3knj n PHE 37 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 176.76 176.11 3knj s GLN 38 N 2.56 4.18 0.00 -1.08 -1.52 -1.26 -3.41 119.66 119.13 3knj s GLN 38 Ca 0.62 2.44 0.00 0.00 -1.95 0.00 0.00 55.36 56.47 3knj s GLN 38 Cb 0.16 -3.48 0.00 0.00 -0.22 0.00 0.00 33.01 29.47 3knj s GLN 38 CO -0.05 -0.75 0.00 0.41 -0.25 0.00 0.00 175.29 174.65 3knj n GLY 39 N 4.02 0.00 3.64 3.09 0.00 -1.26 -4.87 105.19 109.81 3knj n GLY 39 Ca 0.16 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.75 3knj n GLY 39 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3knj n LEU 40 N 0.00 3.80 -0.40 0.99 4.77 -1.22 -4.76 117.00 120.18 3knj n LEU 40 Ca 0.00 0.67 0.00 0.00 -0.03 0.00 0.00 56.01 56.65 3knj n LEU 40 Cb 0.09 -1.52 0.00 0.00 -2.33 0.00 0.00 43.42 39.66 3knj n LEU 40 CO 0.00 -0.12 0.01 0.52 -1.33 0.00 0.00 177.39 176.47 3knj n VAL 41 N 6.27 0.00 -1.96 4.08 0.31 -1.26 0.33 118.33 126.10 3knj n VAL 41 Ca 0.24 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.57 3knj n VAL 41 Cb 0.41 -0.11 0.00 0.00 -0.91 0.00 0.00 33.84 33.23 3knj n VAL 41 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 3knj n ARG 42 N 0.29 0.00 0.28 5.55 0.63 -1.26 -4.95 116.66 117.20 3knj n ARG 42 Ca 0.00 -0.24 -0.15 0.00 -0.92 0.00 0.00 57.85 56.54 3knj n ARG 42 Cb 0.01 -0.13 -0.08 0.00 0.45 0.00 0.00 32.46 32.71 3knj n ARG 42 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3knj h ALA 43 N 0.00 -0.72 0.00 5.13 0.00 -0.45 -2.63 119.26 120.59 3knj h ALA 43 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.72 3knj h ALA 43 Cb 1.09 0.28 0.00 0.00 0.00 0.00 0.00 17.79 19.16 3knj h ALA 43 CO 0.00 -0.81 0.00 1.33 0.00 0.00 0.00 179.25 179.77 3knj n VAL 44 N -5.33 0.00 0.04 0.00 0.24 -1.26 -3.24 118.33 108.78 3knj n VAL 44 Ca -0.12 0.00 -0.12 0.00 -2.04 0.00 0.00 64.34 62.06 3knj n VAL 44 Cb 0.32 -0.36 -0.01 0.00 -1.47 0.00 0.00 33.84 32.32 3knj n VAL 44 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3knj h ALA 45 N 1.72 0.47 0.00 2.33 0.00 -1.84 -3.24 119.26 118.70 3knj h ALA 45 Ca 0.00 -0.64 0.00 0.00 0.00 0.00 0.00 54.91 54.27 3knj h ALA 45 Cb 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.75 3knj h ALA 45 CO 0.00 0.76 0.00 0.00 0.00 0.00 0.00 179.25 180.01 3knj n ALA 46 N -2.54 1.93 1.07 0.00 0.00 -1.20 -2.22 120.51 117.55 3knj n ALA 46 Ca -0.06 -0.07 0.12 0.00 0.00 0.00 0.00 53.44 53.44 3knj n ALA 46 Cb 0.76 -1.33 0.24 0.00 0.00 0.00 0.00 19.45 19.12 3knj n ALA 46 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3knj n LEU 47 N -1.52 0.74 -0.33 0.00 4.32 -1.22 -4.20 117.00 114.79 3knj n LEU 47 Ca 0.05 -0.14 0.11 0.00 -0.02 0.00 0.00 56.01 56.00 3knj n LEU 47 Cb 0.24 -0.18 0.28 0.00 -1.62 0.00 0.00 43.42 42.14 3knj n LEU 47 CO 0.19 0.16 1.15 -0.08 -1.22 0.00 0.00 177.39 177.59 3knj h GLU 48 N 0.41 0.68 0.00 3.23 4.57 -1.56 -0.92 114.58 120.99 3knj h GLU 48 Ca 0.00 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.14 3knj h GLU 48 Cb 0.51 -0.15 0.00 0.00 -0.16 0.00 0.00 28.75 28.95 3knj h GLU 48 CO 0.00 0.45 0.02 -0.35 -1.18 0.00 0.00 179.01 177.95 3knj n PRO 49 N -4.82 0.00 -0.01 0.92 -0.04 -1.26 -1.00 135.00 128.80 3knj n PRO 49 Ca 0.21 0.40 0.10 0.00 -0.04 0.00 0.00 63.50 64.17 3knj n PRO 49 Cb 0.52 -1.52 -0.15 0.00 -0.04 0.00 0.00 33.50 32.31 3knj n PRO 49 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3knj n LEU 50 N -1.39 0.26 -0.54 1.53 4.77 -0.35 -4.33 117.00 116.95 3knj n LEU 50 Ca 0.00 -0.13 0.00 0.00 -0.03 0.00 0.00 56.01 55.85 3knj n LEU 50 Cb 0.02 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.11 3knj n LEU 50 CO 0.00 0.07 0.25 0.54 -1.33 0.00 0.00 177.39 176.92 3knj n ARG 51 N -2.04 0.94 -0.02 3.23 3.00 -0.17 -2.44 116.66 119.17 3knj n ARG 51 Ca -0.02 0.00 -0.03 0.00 -0.01 0.00 0.00 57.85 57.79 3knj n ARG 51 Cb 0.49 -1.44 -0.02 0.00 0.00 0.00 0.00 32.46 31.49 3knj n ARG 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3knj n ALA 52 N 0.07 1.91 -1.00 7.54 0.00 -1.26 -4.87 120.51 122.90 3knj n ALA 52 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.25 3knj n ALA 52 Cb 0.25 0.40 0.00 0.00 0.00 0.00 0.00 19.45 20.10 3knj n ALA 52 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 3knj n VAL 53 N -2.64 0.00 0.00 0.00 0.24 -1.11 -5.03 118.33 109.79 3knj n VAL 53 Ca -0.08 0.04 0.00 0.00 -2.04 0.00 0.00 64.34 62.26 3knj n VAL 53 Cb 0.59 -0.13 0.00 0.00 -1.47 0.00 0.00 33.84 32.82 3knj n VAL 53 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 3knj n ASP 54 N -0.01 0.00 -4.40 -1.34 8.00 -1.02 -5.09 116.55 112.70 3knj n ASP 54 Ca 0.00 0.00 -0.45 0.00 0.71 0.00 0.00 54.79 55.05 3knj n ASP 54 Cb 0.00 0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 41.09 3knj n ASP 54 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3knj s ALA 55 N 0.00 4.19 -2.54 2.24 0.00 -1.22 -4.65 121.76 119.77 3knj s ALA 55 Ca 0.00 -3.44 0.21 0.00 0.00 0.00 0.00 51.96 48.72 3knj s ALA 55 Cb 0.00 -3.82 0.18 0.00 0.00 0.00 0.00 23.12 19.48 3knj s ALA 55 CO 0.00 -2.52 1.17 -0.11 0.00 0.00 0.00 175.76 174.30 3knj n LEU 56 N 4.45 2.77 -1.05 0.00 0.00 -1.26 -4.53 117.00 117.37 3knj n LEU 56 Ca 0.27 -1.05 -0.03 0.00 0.00 0.00 0.00 56.01 55.20 3knj n LEU 56 Cb 0.43 -0.02 -0.01 0.00 0.00 0.00 0.00 43.42 43.82 3knj n LEU 56 CO 0.50 0.49 0.23 0.61 0.00 0.00 0.00 177.39 179.22 3knj n GLY 57 N 1.17 0.08 0.89 -3.96 0.00 -1.26 -4.94 105.19 97.16 3knj n GLY 57 Ca 0.12 -0.02 0.08 0.00 0.00 0.00 0.00 46.02 46.21 3knj n GLY 57 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3knj n HIS 58 N -0.18 0.55 -3.75 1.61 8.25 -1.25 -3.85 115.22 116.60 3knj n HIS 58 Ca -0.12 -0.40 -0.13 0.00 -0.26 0.00 0.00 57.72 56.82 3knj n HIS 58 Cb 0.51 -0.01 -0.11 0.00 1.12 0.00 0.00 29.99 31.50 3knj n HIS 58 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 3knj s PHE 59 N -1.08 -0.40 -1.23 4.41 0.40 -0.85 -2.41 117.98 116.82 3knj s PHE 59 Ca 0.31 0.98 -0.08 0.00 -0.60 0.00 0.00 56.93 57.54 3knj s PHE 59 Cb 0.17 0.14 0.20 0.00 0.51 0.00 0.00 43.02 44.04 3knj s PHE 59 CO 0.23 -0.20 1.83 -0.25 0.70 0.00 0.00 175.22 177.53 3knj n ASP 60 N 2.97 5.67 -4.55 1.36 8.00 0.74 -3.00 116.55 127.75 3knj n ASP 60 Ca -0.14 -3.20 -0.15 0.00 0.71 0.00 0.00 54.79 52.02 3knj n ASP 60 Cb 0.57 -1.41 -0.10 0.00 -0.02 0.00 0.00 41.12 40.16 3knj n ASP 60 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3knj n ALA 61 N 3.02 0.49 -1.76 2.24 0.00 -1.26 -3.74 120.51 119.50 3knj n ALA 61 Ca 0.38 -1.29 -0.38 0.00 0.00 0.00 0.00 53.44 52.16 3knj n ALA 61 Cb 0.34 -3.10 0.01 0.00 0.00 0.00 0.00 19.45 16.70 3knj n ALA 61 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 3knj s TYR 62 N 11.86 2.68 0.05 0.00 5.04 -0.94 -2.53 117.35 133.51 3knj s TYR 62 Ca 1.00 1.47 -0.24 0.00 -2.44 0.00 0.00 57.07 56.87 3knj s TYR 62 Cb -0.28 -3.55 0.06 0.00 0.35 0.00 0.00 41.96 38.54 3knj s TYR 62 CO 0.18 -2.02 0.56 0.42 -1.34 0.00 0.00 175.55 173.35 3knj s ILE 63 N -1.43 0.02 -0.13 3.14 1.01 -0.56 -2.50 121.20 120.75 3knj s ILE 63 Ca 0.65 -0.16 -0.08 0.00 0.00 0.00 0.00 60.65 61.05 3knj s ILE 63 Cb -0.34 -0.99 0.05 0.00 0.01 0.00 0.00 42.46 41.19 3knj s ILE 63 CO 0.41 -0.09 0.33 0.28 0.00 0.00 0.00 174.94 175.86 3knj s THR 64 N -2.52 -0.02 -0.05 2.92 -1.32 -1.21 0.27 115.64 113.72 3knj s THR 64 Ca -0.05 0.09 0.01 0.00 -1.21 0.00 0.00 61.69 60.52 3knj s THR 64 Cb -0.01 -0.48 0.02 0.00 -1.51 0.00 0.00 72.50 70.53 3knj s THR 64 CO -0.02 0.03 -0.03 0.54 -2.21 0.00 0.00 174.62 172.93 3knj s VAL 65 N 0.99 0.47 0.18 5.08 0.11 -1.26 0.00 120.40 125.97 3knj s VAL 65 Ca -0.07 -0.06 0.10 0.00 -2.93 0.00 0.00 61.98 59.02 3knj s VAL 65 Cb -0.07 -0.53 -0.04 0.00 -1.53 0.00 0.00 36.38 34.21 3knj s VAL 65 CO -0.07 0.22 -0.16 -0.13 -3.33 0.00 0.00 175.10 171.63 3knj s ARG 66 N 1.10 1.83 0.44 1.54 0.52 0.10 -4.94 118.95 119.54 3knj s ARG 66 Ca -0.08 -1.37 0.00 0.00 -0.52 0.00 0.00 55.73 53.76 3knj s ARG 66 Cb -0.14 -2.03 0.00 0.00 0.52 0.00 0.00 34.95 33.30 3knj s ARG 66 CO -0.01 0.42 0.00 0.41 0.02 0.00 0.00 175.30 176.14 3knj n GLY 67 N 0.16 -2.78 0.00 -3.53 0.00 -1.26 -2.41 105.19 95.37 3knj n GLY 67 Ca -0.12 -0.62 0.00 0.00 0.00 0.00 0.00 46.02 45.28 3knj n GLY 67 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3knj n GLY 68 N -2.81 0.02 3.30 -0.02 0.00 -0.77 -4.10 105.19 100.81 3knj n GLY 68 Ca -0.02 -1.96 -0.25 0.00 0.00 0.00 0.00 46.02 43.79 3knj n GLY 68 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3knj s GLY 69 N 0.00 1.29 0.65 -0.02 0.00 -1.26 -4.99 107.32 102.98 3knj s GLY 69 Ca 0.00 -1.26 0.18 0.00 0.00 0.00 0.00 44.72 43.64 3knj s GLY 69 CO 0.00 -1.25 1.49 0.50 0.00 0.00 0.00 173.10 173.84 3knj h LYS 70 N 4.15 0.00 0.01 2.90 1.57 -2.00 0.72 116.57 123.92 3knj h LYS 70 Ca -0.47 0.00 -0.24 0.00 -1.87 0.00 0.00 60.65 58.07 3knj h LYS 70 Cb 1.18 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.45 3knj h LYS 70 CO 0.40 0.00 -1.31 1.03 -0.57 0.00 0.00 179.45 179.00 3knj h SER 71 N 0.00 0.04 -0.93 0.86 0.87 -1.98 -3.28 113.55 109.13 3knj h SER 71 Ca 0.09 -0.55 0.26 0.00 -1.23 0.00 0.00 61.79 60.35 3knj h SER 71 Cb 1.53 -0.01 -0.05 0.00 -0.44 0.00 0.00 62.40 63.43 3knj h SER 71 CO -0.00 1.52 0.65 1.23 -0.53 0.00 0.00 176.83 179.70 3knj h GLY 72 N -0.82 0.22 0.51 5.77 0.00 -0.03 0.21 103.07 108.94 3knj h GLY 72 Ca -0.35 -0.04 -0.03 0.00 0.00 0.00 0.00 47.33 46.90 3knj h GLY 72 CO -0.18 -0.01 -0.10 1.46 0.00 0.00 0.00 176.54 177.71 3knj h GLN 73 N 0.09 0.14 -0.81 4.80 4.20 -0.98 0.25 115.11 122.80 3knj h GLN 73 Ca 0.45 -0.10 0.08 0.00 0.06 0.00 0.00 58.65 59.15 3knj h GLN 73 Cb 1.65 0.02 -0.07 0.00 0.30 0.00 0.00 27.48 29.38 3knj h GLN 73 CO -0.05 0.71 0.48 0.82 -0.67 0.00 0.00 178.83 180.11 3knj h ILE 74 N -0.41 0.96 -0.15 2.54 2.04 -1.03 0.75 117.51 122.22 3knj h ILE 74 Ca -0.00 -0.29 -0.02 0.00 1.00 0.00 0.00 64.86 65.55 3knj h ILE 74 Cb 0.71 0.06 -0.01 0.00 -0.74 0.00 0.00 36.82 36.84 3knj h ILE 74 CO 0.02 0.15 -0.01 0.44 0.00 0.00 0.00 178.15 178.75 3knj h ASP 75 N 0.83 0.19 0.00 1.72 3.32 -0.58 -0.78 116.42 121.13 3knj h ASP 75 Ca 0.37 -0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.40 3knj h ASP 75 Cb 0.27 -0.05 -0.00 0.00 0.22 0.00 0.00 39.33 39.77 3knj h ASP 75 CO -0.21 0.24 -0.10 0.00 -1.72 0.00 0.00 179.24 177.45 3knj h ALA 76 N 1.79 0.00 -0.84 3.45 0.00 0.17 -3.35 119.26 120.48 3knj h ALA 76 Ca 0.05 -0.14 0.20 0.00 0.00 0.00 0.00 54.91 55.02 3knj h ALA 76 Cb 0.17 0.09 -0.12 0.00 0.00 0.00 0.00 17.79 17.93 3knj h ALA 76 CO 0.00 0.09 0.31 0.82 0.00 0.00 0.00 179.25 180.47 3knj h ILE 77 N -1.00 0.49 -1.24 0.00 2.04 0.32 0.69 117.51 118.80 3knj h ILE 77 Ca -0.01 -0.12 0.36 0.00 1.00 0.00 0.00 64.86 66.09 3knj h ILE 77 Cb 0.18 0.10 -0.05 0.00 -0.74 0.00 0.00 36.82 36.31 3knj h ILE 77 CO -0.00 0.06 0.98 0.50 0.00 0.00 0.00 178.15 179.69 3knj h LYS 78 N 0.35 0.00 0.08 2.37 3.64 -1.28 0.45 116.57 122.19 3knj h LYS 78 Ca 0.51 0.00 -0.19 0.00 -1.27 0.00 0.00 60.65 59.70 3knj h LYS 78 Cb 0.93 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.75 3knj h LYS 78 CO -0.53 0.00 -0.94 1.25 -2.27 0.00 0.00 179.45 176.97 3knj h LEU 79 N 0.00 0.27 -0.75 5.20 7.12 0.26 -3.28 115.31 124.13 3knj h LEU 79 Ca 0.59 -0.86 0.10 0.00 0.13 0.00 0.00 57.88 57.84 3knj h LEU 79 Cb 2.55 -0.09 -0.07 0.00 -0.53 0.00 0.00 40.66 42.52 3knj h LEU 79 CO -0.01 1.41 0.39 1.23 -0.13 0.00 0.00 178.44 181.33 3knj h GLY 80 N -0.43 1.14 1.90 3.75 0.00 -0.82 1.40 103.07 110.01 3knj h GLY 80 Ca -0.20 -0.25 0.00 0.00 0.00 0.00 0.00 47.33 46.88 3knj h GLY 80 CO 0.03 0.07 0.04 -2.22 0.00 0.00 0.00 176.54 174.46 3knj h ILE 81 N 0.65 0.00 0.00 2.60 1.08 -1.29 -0.15 117.51 120.40 3knj h ILE 81 Ca 0.37 0.00 -0.43 0.00 -0.39 0.00 0.00 64.86 64.41 3knj h ILE 81 Cb 0.39 0.64 -0.07 0.00 -3.07 0.00 0.00 36.82 34.72 3knj h ILE 81 CO -0.27 0.00 -2.46 0.00 -0.69 0.00 0.00 178.15 174.73 3knj n ALA 82 N -1.86 1.26 0.67 1.87 0.00 0.28 -3.54 120.51 119.18 3knj n ALA 82 Ca -0.02 -1.07 0.00 0.00 0.00 0.00 0.00 53.44 52.35 3knj n ALA 82 Cb 0.09 -0.01 0.00 0.00 0.00 0.00 0.00 19.45 19.53 3knj n ALA 82 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 3knj n ARG 83 N -3.86 0.37 0.02 0.00 0.63 0.41 -2.86 116.66 111.37 3knj n ARG 83 Ca -0.50 0.00 -0.02 0.00 -0.92 0.00 0.00 57.85 56.41 3knj n ARG 83 Cb 0.92 -1.04 -0.01 0.00 0.45 0.00 0.00 32.46 32.79 3knj n ARG 83 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3knj n ALA 84 N -0.34 2.52 0.00 5.13 0.00 -0.17 -4.18 120.51 123.47 3knj n ALA 84 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.25 3knj n ALA 84 Cb 0.02 0.21 0.00 0.00 0.00 0.00 0.00 19.45 19.68 3knj n ALA 84 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 3knj n LEU 85 N -3.70 0.00 -0.05 0.00 -0.00 -1.14 -0.25 117.00 111.87 3knj n LEU 85 Ca -0.04 0.28 -0.19 0.00 -0.00 0.00 0.00 56.01 56.06 3knj n LEU 85 Cb 0.14 -0.28 -0.13 0.00 -0.00 0.00 0.00 43.42 43.15 3knj n LEU 85 CO 0.05 -0.28 -0.99 0.55 -0.00 0.00 0.00 177.39 176.72 3knj n VAL 86 N -1.25 1.65 0.05 1.47 3.14 -1.18 -3.45 118.33 118.76 3knj n VAL 86 Ca 0.00 -0.65 -0.02 0.00 -2.96 0.00 0.00 64.34 60.71 3knj n VAL 86 Cb 0.04 -1.51 -0.01 0.00 -1.06 0.00 0.00 33.84 31.30 3knj n VAL 86 CO 0.00 0.00 0.00 -0.61 -6.46 0.00 0.00 176.83 169.76 3knj h GLN 87 N 0.04 -0.13 0.00 1.45 4.15 -0.83 -1.13 115.11 118.66 3knj h GLN 87 Ca -0.47 0.01 0.00 0.00 0.77 0.00 0.00 58.65 58.96 3knj h GLN 87 Cb 2.00 0.03 0.00 0.00 0.21 0.00 0.00 27.48 29.72 3knj h GLN 87 CO 0.03 -0.09 0.00 0.66 -1.93 0.00 0.00 178.83 177.50 3knj n TYR 88 N -2.57 0.00 -3.16 3.99 4.02 -1.18 -4.25 117.16 114.02 3knj n TYR 88 Ca -0.02 0.00 0.04 0.00 -0.01 0.00 0.00 57.90 57.91 3knj n TYR 88 Cb 0.06 0.00 -0.00 0.00 -0.02 0.00 0.00 39.34 39.38 3knj n TYR 88 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 176.86 175.05 3knj s ASN 89 N -1.96 -1.56 0.49 7.72 0.01 -0.48 -5.01 114.94 114.15 3knj s ASN 89 Ca 0.12 0.05 0.28 0.00 -0.71 0.00 0.00 52.86 52.61 3knj s ASN 89 Cb 0.06 1.99 0.91 0.00 0.41 0.00 0.00 41.25 44.61 3knj s ASN 89 CO 0.10 -0.27 1.82 1.55 -1.51 0.00 0.00 177.10 178.78 3knj h PRO 90 N 7.81 0.00 0.00 -0.60 0.13 -1.60 -3.30 132.00 134.44 3knj h PRO 90 Ca -0.01 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.97 3knj h PRO 90 Cb 1.19 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.30 3knj h PRO 90 CO 0.13 0.03 -0.75 -0.44 -0.23 0.00 0.00 178.00 176.74 3knj h ASP 91 N 0.00 0.00 0.00 1.44 3.32 -1.92 -3.31 116.42 115.95 3knj h ASP 91 Ca -0.00 0.00 -0.15 0.00 0.02 0.00 0.00 57.03 56.90 3knj h ASP 91 Cb 0.74 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.24 3knj h ASP 91 CO 0.00 0.75 0.06 -1.22 -1.72 0.00 0.00 179.24 177.12 3knj n TYR 92 N -3.52 0.09 -0.08 4.55 4.02 -1.24 -4.07 117.16 116.91 3knj n TYR 92 Ca -0.00 -1.09 -0.15 0.00 -0.01 0.00 0.00 57.90 56.65 3knj n TYR 92 Cb 0.76 -1.25 -0.09 0.00 -0.02 0.00 0.00 39.34 38.74 3knj n TYR 92 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 176.86 175.76 3knj h ARG 93 N 4.08 0.00 -0.07 -0.72 9.65 -1.86 -3.33 114.38 122.12 3knj h ARG 93 Ca 0.15 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.03 3knj h ARG 93 Cb 0.98 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.56 3knj h ARG 93 CO 0.38 0.74 0.00 0.00 2.80 0.00 0.00 179.97 183.89 3knj n ALA 94 N -3.19 1.31 0.00 2.80 0.00 -1.26 -1.76 120.51 118.42 3knj n ALA 94 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.25 3knj n ALA 94 Cb 0.50 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.95 3knj n ALA 94 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 3knj n LYS 95 N 0.13 1.27 0.13 0.00 -0.00 -1.26 -4.63 118.16 113.80 3knj n LYS 95 Ca 0.00 0.00 0.02 0.00 -0.00 0.00 0.00 58.31 58.33 3knj n LYS 95 Cb 0.02 -0.96 0.01 0.00 -0.00 0.00 0.00 35.03 34.10 3knj n LYS 95 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.40 178.65 3knj h LEU 96 N 0.00 0.00 0.00 -5.58 5.85 -1.45 -3.27 115.31 110.86 3knj h LEU 96 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 3knj h LEU 96 Cb 0.91 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.94 3knj h LEU 96 CO 0.00 0.54 -0.26 1.17 -0.34 0.00 0.00 178.44 179.55 3knj n LYS 97 N -3.22 0.18 0.12 1.25 4.81 -1.18 -0.96 118.16 119.15 3knj n LYS 97 Ca 0.01 0.23 -0.13 0.00 -0.87 0.00 0.00 58.31 57.56 3knj n LYS 97 Cb 0.76 -0.98 -0.06 0.00 0.02 0.00 0.00 35.03 34.76 3knj n LYS 97 CO 0.00 0.00 0.00 -1.35 1.17 0.00 0.00 177.40 177.22 3knj h PRO 98 N -0.36 -0.51 0.00 1.64 0.11 -1.82 0.33 132.00 131.39 3knj h PRO 98 Ca 0.00 0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.14 3knj h PRO 98 Cb 0.26 0.12 0.00 0.00 0.11 0.00 0.00 31.00 31.48 3knj h PRO 98 CO 0.00 -0.34 0.00 -0.11 -0.21 0.00 0.00 178.00 177.34 3knj n LEU 99 N -5.41 0.52 -2.44 2.35 -0.00 -1.23 -4.92 117.00 105.87 3knj n LEU 99 Ca -0.07 0.74 -0.02 0.00 -0.00 0.00 0.00 56.01 56.66 3knj n LEU 99 Cb 0.32 -0.81 -0.02 0.00 -0.00 0.00 0.00 43.42 42.91 3knj n LEU 99 CO 0.24 -0.91 -0.56 0.61 -0.00 0.00 0.00 177.39 176.76 3knj n GLY 100 N -1.30 -5.66 0.00 -3.96 0.00 0.12 -5.02 105.19 89.37 3knj n GLY 100 Ca -0.01 0.75 0.00 0.00 0.00 0.00 0.00 46.02 46.76 3knj n GLY 100 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3knj n PHE 101 N 1.78 0.00 -3.58 1.61 0.99 -0.13 -4.95 117.46 113.18 3knj n PHE 101 Ca -0.17 0.00 -0.40 0.00 -0.00 0.00 0.00 57.45 56.88 3knj n PHE 101 Cb 0.26 0.00 -0.09 0.00 -1.00 0.00 0.00 39.48 38.65 3knj n PHE 101 CO 0.00 0.00 0.00 -1.17 -0.00 0.00 0.00 176.76 175.59 3knj s LEU 102 N -0.15 5.66 -0.28 4.37 1.98 -1.09 -4.64 118.68 124.54 3knj s LEU 102 Ca 0.00 -1.95 -0.21 0.00 -2.89 0.00 0.00 54.13 49.07 3knj s LEU 102 Cb 0.00 -1.99 0.08 0.00 0.66 0.00 0.00 46.19 44.94 3knj s LEU 102 CO 0.00 -0.67 0.76 -0.89 -1.89 0.00 0.00 176.35 173.66 3knj s THR 103 N 1.30 0.00 0.09 3.68 2.01 -1.26 -4.95 115.64 116.51 3knj s THR 103 Ca 0.06 0.00 -0.14 0.00 0.31 0.00 0.00 61.69 61.92 3knj s THR 103 Cb -0.26 -1.00 -0.17 0.00 0.01 0.00 0.00 72.50 71.08 3knj s THR 103 CO -0.01 0.00 1.27 0.03 -0.69 0.00 0.00 174.62 175.22 3knj h ARG 104 N 5.65 0.73 -5.04 4.92 2.47 -1.95 -3.49 114.38 117.67 3knj h ARG 104 Ca -0.29 -0.62 0.00 0.00 -1.26 0.00 0.00 59.98 57.81 3knj h ARG 104 Cb 1.19 0.14 0.00 0.00 -1.65 0.00 0.00 29.97 29.64 3knj h ARG 104 CO 0.10 1.23 -0.28 -3.47 0.56 0.00 0.00 179.97 178.11 3knj n ASP 105 N -3.99 -7.21 0.02 7.04 4.64 -1.26 -4.58 116.55 111.20 3knj n ASP 105 Ca -0.08 0.28 0.01 0.00 -1.38 0.00 0.00 54.79 53.63 3knj n ASP 105 Cb 0.73 -4.86 0.07 0.00 -1.04 0.00 0.00 41.12 36.02 3knj n ASP 105 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 3knj n ALA 106 N -0.81 0.97 -1.39 -1.67 0.00 -1.26 -4.50 120.51 111.86 3knj n ALA 106 Ca 0.07 0.02 -0.14 0.00 0.00 0.00 0.00 53.44 53.39 3knj n ALA 106 Cb 0.44 -1.00 -0.14 0.00 0.00 0.00 0.00 19.45 18.75 3knj n ALA 106 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3knj n ARG 107 N -1.57 0.09 -5.24 0.00 1.74 -1.26 -4.84 116.66 105.58 3knj n ARG 107 Ca -0.00 -0.27 -0.31 0.00 -0.77 0.00 0.00 57.85 56.50 3knj n ARG 107 Cb 0.02 -1.66 -0.16 0.00 -1.02 0.00 0.00 32.46 29.64 3knj n ARG 107 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 3knj s VAL 108 N 3.71 1.99 0.00 1.55 -7.23 -1.26 -4.75 120.40 114.41 3knj s VAL 108 Ca 0.88 -1.05 -0.37 0.00 -1.81 0.00 0.00 61.98 59.63 3knj s VAL 108 Cb -0.46 -1.67 -0.16 0.00 0.56 0.00 0.00 36.38 34.65 3knj s VAL 108 CO 0.32 0.56 1.46 0.52 -0.31 0.00 0.00 175.10 177.65 3knj n VAL 109 N 2.77 0.09 -3.27 1.32 0.31 -1.26 -4.90 118.33 113.37 3knj n VAL 109 Ca -0.17 -0.02 -0.31 0.00 -0.01 0.00 0.00 64.34 63.84 3knj n VAL 109 Cb 0.52 -0.99 -0.05 0.00 -0.91 0.00 0.00 33.84 32.42 3knj n VAL 109 CO 0.00 0.00 0.00 -1.83 -1.32 0.00 0.00 176.83 173.68 3knj s GLU 110 N 1.33 3.78 0.26 5.55 -1.05 -1.26 -5.03 118.70 122.28 3knj s GLU 110 Ca 0.88 0.29 -0.16 0.00 -0.15 0.00 0.00 54.97 55.83 3knj s GLU 110 Cb -0.96 -2.58 -0.11 0.00 -0.44 0.00 0.00 34.13 30.04 3knj s GLU 110 CO 0.51 0.22 0.12 -2.13 0.95 0.00 0.00 175.26 174.92 3knj n ARG 111 N -0.53 0.00 -3.30 -4.83 0.63 -1.26 -4.72 116.66 102.65 3knj n ARG 111 Ca 0.01 0.00 -0.40 0.00 -0.92 0.00 0.00 57.85 56.53 3knj n ARG 111 Cb 0.53 -0.71 -0.08 0.00 0.45 0.00 0.00 32.46 32.65 3knj n ARG 111 CO 0.00 0.00 0.00 0.21 -2.51 0.00 0.00 177.63 175.33 3knj s LYS 112 N -0.71 3.83 0.59 -0.14 2.20 -1.26 -4.31 119.74 119.94 3knj s LYS 112 Ca 0.43 -0.02 -0.00 0.00 -0.36 0.00 0.00 55.97 56.01 3knj s LYS 112 Cb -0.49 -3.73 0.04 0.00 -1.51 0.00 0.00 37.83 32.14 3knj s LYS 112 CO 0.44 -0.46 0.83 0.15 -0.36 0.00 0.00 175.35 175.95 3knj s LYS 113 N 2.24 2.45 0.18 4.03 3.01 -1.26 -4.92 119.74 125.46 3knj s LYS 113 Ca 0.17 -0.68 -0.24 0.00 -1.01 0.00 0.00 55.97 54.21 3knj s LYS 113 Cb -0.16 -2.42 -0.08 0.00 -1.01 0.00 0.00 37.83 34.17 3knj s LYS 113 CO 0.11 -0.84 0.77 1.52 0.51 0.00 0.00 175.35 177.42 3knj s TYR 114 N -2.87 3.86 -0.24 3.18 -0.00 -1.26 -3.62 117.35 116.40 3knj s TYR 114 Ca 0.58 1.60 0.00 0.00 -0.00 0.00 0.00 57.07 59.25 3knj s TYR 114 Cb -0.10 -2.74 0.00 0.00 -0.00 0.00 0.00 41.96 39.11 3knj s TYR 114 CO 0.40 0.48 0.00 0.41 -0.00 0.00 0.00 175.55 176.84 3knj n GLY 115 N 1.44 0.57 2.56 5.49 0.00 -1.26 -4.98 105.19 109.00 3knj n GLY 115 Ca -0.05 -0.62 -0.26 0.00 0.00 0.00 0.00 46.02 45.10 3knj n GLY 115 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3knj s LYS 116 N -1.63 0.46 0.18 1.61 -0.14 -1.24 -4.33 119.74 114.65 3knj s LYS 116 Ca 0.00 -0.95 0.08 0.00 -1.36 0.00 0.00 55.97 53.74 3knj s LYS 116 Cb 0.00 -1.10 0.60 0.00 -1.68 0.00 0.00 37.83 35.65 3knj s LYS 116 CO 0.00 -1.15 0.80 0.72 -0.76 0.00 0.00 175.35 174.96 3knj n HIS 117 N 4.47 0.52 -3.40 3.18 8.25 -0.30 -3.33 115.22 124.61 3knj n HIS 117 Ca 0.06 0.60 -0.18 0.00 -0.26 0.00 0.00 57.72 57.95 3knj n HIS 117 Cb 0.40 -1.00 -0.09 0.00 1.12 0.00 0.00 29.99 30.42 3knj n HIS 117 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 3knj s LYS 118 N -4.93 0.44 0.00 -0.41 1.02 -1.26 -4.97 119.74 109.63 3knj s LYS 118 Ca -0.05 -0.48 0.00 0.00 0.02 0.00 0.00 55.97 55.46 3knj s LYS 118 Cb 0.17 -0.74 0.00 0.00 -0.52 0.00 0.00 37.83 36.73 3knj s LYS 118 CO 0.40 -1.10 0.00 0.00 -0.92 0.00 0.00 175.35 173.73 3knj n ALA 119 N 4.86 0.00 -0.07 5.17 0.00 -1.21 -1.32 120.51 127.94 3knj n ALA 119 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.47 3knj n ALA 119 Cb 0.45 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.90 3knj n ALA 119 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3knj n ARG 120 N 0.00 1.66 -1.90 0.00 1.74 -1.26 -4.29 116.66 112.60 3knj n ARG 120 Ca 0.00 -0.28 -0.38 0.00 -0.77 0.00 0.00 57.85 56.42 3knj n ARG 120 Cb 0.00 -0.76 -0.03 0.00 -1.02 0.00 0.00 32.46 30.65 3knj n ARG 120 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 3knj s ARG 121 N -0.32 2.49 0.14 5.56 3.00 -0.43 -4.93 118.95 124.45 3knj s ARG 121 Ca 0.00 0.85 -0.29 0.00 -1.00 0.00 0.00 55.73 55.28 3knj s ARG 121 Cb 0.00 -4.44 -0.07 0.00 0.00 0.00 0.00 34.95 30.44 3knj s ARG 121 CO 0.00 -2.88 0.92 0.00 0.00 0.00 0.00 175.30 173.35 3knj s ALA 122 N 9.93 3.29 1.14 6.12 0.00 -1.26 -1.15 121.76 139.82 3knj s ALA 122 Ca 0.76 0.54 -0.15 0.00 0.00 0.00 0.00 51.96 53.12 3knj s ALA 122 Cb -0.14 -3.21 0.23 0.00 0.00 0.00 0.00 23.12 20.00 3knj s ALA 122 CO 0.22 0.06 0.52 -0.35 0.00 0.00 0.00 175.76 176.21 3knj n PRO 123 N 2.38 -2.70 -2.87 0.00 -0.04 -1.26 -4.87 135.00 125.63 3knj n PRO 123 Ca 0.00 -0.87 -0.41 0.00 -0.04 0.00 0.00 63.50 62.18 3knj n PRO 123 Cb 0.49 -1.34 -0.04 0.00 -0.04 0.00 0.00 33.50 32.57 3knj n PRO 123 CO 0.00 0.00 0.00 -1.14 -0.04 0.00 0.00 175.50 174.32 3knj s GLN 124 N -3.87 4.44 0.14 0.54 0.74 -1.26 -5.01 119.66 115.38 3knj s GLN 124 Ca 0.40 1.13 -0.31 0.00 0.05 0.00 0.00 55.36 56.63 3knj s GLN 124 Cb -0.07 -3.49 -0.09 0.00 1.10 0.00 0.00 33.01 30.46 3knj s GLN 124 CO 0.33 -0.10 1.49 -0.47 -0.55 0.00 0.00 175.29 176.00 3knj s TYR 125 N 1.29 3.10 0.00 1.67 6.04 -1.26 -5.03 117.35 123.15 3knj s TYR 125 Ca 0.43 0.75 0.00 0.00 0.04 0.00 0.00 57.07 58.29 3knj s TYR 125 Cb -0.19 -3.82 0.00 0.00 -1.04 0.00 0.00 41.96 36.91 3knj s TYR 125 CO 0.20 -2.99 0.00 0.43 -1.54 0.00 0.00 175.55 171.65 3knj n SER 126 N 4.07 0.00 0.00 4.32 7.64 -1.26 -4.88 113.62 123.51 3knj n SER 126 Ca 0.13 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.01 3knj n SER 126 Cb 0.40 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.60 3knj n SER 126 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 3knj n LYS 127 N 0.00 -0.53 0.00 1.43 4.81 -1.26 -5.33 118.16 117.28 3knj n LYS 127 Ca 0.00 0.13 0.00 0.00 -0.87 0.00 0.00 58.31 57.57 3knj n LYS 127 Cb 0.00 -3.54 0.00 0.00 0.02 0.00 0.00 35.03 31.51 3knj n LYS 127 CO 0.00 0.00 0.00 2.89 1.17 0.00 0.00 177.40 181.46