#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3knj s ARG 3 N 0.00 3.23 0.00 0.00 0.52 -1.26 -4.59 118.95 116.85 3knj s ARG 3 Ca 0.00 -0.64 0.00 0.00 -0.52 0.00 0.00 55.73 54.57 3knj s ARG 3 Cb 0.00 -2.70 0.00 0.00 0.52 0.00 0.00 34.95 32.77 3knj s ARG 3 CO 0.00 0.02 0.00 -0.89 0.02 0.00 0.00 175.30 174.45 3knj n ILE 4 N -1.80 0.00 -0.45 1.52 5.41 -1.06 -5.03 119.36 117.96 3knj n ILE 4 Ca -0.02 0.00 -0.29 0.00 1.00 0.00 0.00 62.75 63.44 3knj n ILE 4 Cb 0.57 0.00 0.27 0.00 -0.71 0.00 0.00 39.64 39.78 3knj n ILE 4 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3knj s ALA 5 N -2.00 -0.76 0.00 -1.39 0.00 -1.26 -4.14 121.76 112.21 3knj s ALA 5 Ca 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 51.96 51.61 3knj s ALA 5 Cb 0.00 -3.15 0.00 0.00 0.00 0.00 0.00 23.12 19.97 3knj s ALA 5 CO 0.00 -4.21 0.00 0.41 0.00 0.00 0.00 175.76 171.96 3knj n GLY 6 N 1.13 0.30 0.00 0.00 0.00 -1.26 -3.00 105.19 102.36 3knj n GLY 6 Ca 0.05 0.65 0.00 0.00 0.00 0.00 0.00 46.02 46.72 3knj n GLY 6 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3knj n VAL 7 N 0.00 0.00 -1.68 1.61 0.31 -1.26 -5.12 118.33 112.19 3knj n VAL 7 Ca 0.00 0.00 -0.48 0.00 -0.01 0.00 0.00 64.34 63.85 3knj n VAL 7 Cb 0.00 0.00 -0.05 0.00 -0.91 0.00 0.00 33.84 32.88 3knj n VAL 7 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3knj n GLU 8 N 0.00 2.15 -3.89 5.55 1.02 -1.16 -4.71 120.64 119.60 3knj n GLU 8 Ca 0.00 0.78 -0.28 0.00 -0.02 0.00 0.00 57.16 57.64 3knj n GLU 8 Cb 0.09 -2.61 -0.12 0.00 -0.02 0.00 0.00 31.44 28.78 3knj n GLU 8 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 3knj s ILE 9 N 3.17 2.78 0.50 -3.67 1.09 -1.26 -2.56 121.20 121.24 3knj s ILE 9 Ca 0.89 -4.12 -0.20 0.00 -1.10 0.00 0.00 60.65 56.11 3knj s ILE 9 Cb -0.70 -2.84 -0.08 0.00 -1.06 0.00 0.00 42.46 37.79 3knj s ILE 9 CO 0.48 -0.99 1.08 -2.16 -0.10 0.00 0.00 174.94 173.25 3knj s PRO 10 N -1.28 3.68 -0.09 2.79 0.04 -1.26 -5.04 135.00 133.84 3knj s PRO 10 Ca 0.24 1.49 -0.09 0.00 0.04 0.00 0.00 61.00 62.68 3knj s PRO 10 Cb -0.07 -2.12 0.02 0.00 0.04 0.00 0.00 34.50 32.37 3knj s PRO 10 CO -0.15 -0.56 0.26 1.03 0.04 0.00 0.00 177.00 177.62 3knj s ARG 11 N -3.15 0.32 -1.57 4.56 0.52 -1.26 -4.94 118.95 113.42 3knj s ARG 11 Ca 0.68 0.31 -0.03 0.00 -0.52 0.00 0.00 55.73 56.17 3knj s ARG 11 Cb -0.20 0.16 0.01 0.00 0.52 0.00 0.00 34.95 35.43 3knj s ARG 11 CO 0.24 -0.05 0.31 0.09 0.02 0.00 0.00 175.30 175.91 3knj n ASN 12 N 2.81 -5.64 -3.89 0.23 3.02 -1.26 -4.98 115.26 105.54 3knj n ASN 12 Ca -0.13 -0.15 -0.12 0.00 -0.03 0.00 0.00 54.58 54.15 3knj n ASN 12 Cb 0.58 -4.64 -0.14 0.00 -0.61 0.00 0.00 39.78 34.98 3knj n ASN 12 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 3knj s LYS 13 N -5.42 0.07 -0.06 3.52 1.02 -1.26 -4.88 119.74 112.74 3knj s LYS 13 Ca 0.17 -0.07 -0.40 0.00 0.02 0.00 0.00 55.97 55.69 3knj s LYS 13 Cb -0.08 -0.04 -0.18 0.00 -0.52 0.00 0.00 37.83 37.01 3knj s LYS 13 CO 0.21 0.01 1.29 2.89 -0.92 0.00 0.00 175.35 178.83 3knj n ARG 14 N 2.96 0.49 -0.29 1.68 1.85 -1.26 -3.67 116.66 118.42 3knj n ARG 14 Ca -0.13 0.18 0.29 0.00 -1.00 0.00 0.00 57.85 57.19 3knj n ARG 14 Cb 0.59 -1.74 0.53 0.00 -1.05 0.00 0.00 32.46 30.79 3knj n ARG 14 CO 0.00 0.00 0.00 1.33 -0.01 0.00 0.00 177.63 178.95 3knj n VAL 15 N 2.44 -0.37 0.17 8.89 0.24 -0.83 0.11 118.33 128.98 3knj n VAL 15 Ca 0.21 1.80 0.08 0.00 -2.04 0.00 0.00 64.34 64.40 3knj n VAL 15 Cb 0.10 -2.93 0.44 0.00 -1.47 0.00 0.00 33.84 29.99 3knj n VAL 15 CO 0.00 0.00 0.00 -2.24 -2.14 0.00 0.00 176.83 172.45 3knj h ASP 16 N 0.00 0.00 0.00 -1.34 -0.00 -1.86 -0.54 116.42 112.68 3knj h ASP 16 Ca 0.76 0.00 -0.37 0.00 -0.00 0.00 0.00 57.03 57.42 3knj h ASP 16 Cb 2.03 0.00 -0.06 0.00 -0.00 0.00 0.00 39.33 41.31 3knj h ASP 16 CO -0.67 0.00 -2.20 0.52 -0.00 0.00 0.00 179.24 176.89 3knj n VAL 17 N -2.15 1.52 -0.33 4.15 0.31 0.12 -4.40 118.33 117.56 3knj n VAL 17 Ca -0.01 -0.27 0.28 0.00 -0.01 0.00 0.00 64.34 64.32 3knj n VAL 17 Cb 0.24 -1.97 0.53 0.00 -0.91 0.00 0.00 33.84 31.73 3knj n VAL 17 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3knj h ALA 18 N -0.97 2.04 -0.28 3.52 0.00 -1.04 0.76 119.26 123.29 3knj h ALA 18 Ca -0.56 0.24 -0.09 0.00 0.00 0.00 0.00 54.91 54.50 3knj h ALA 18 Cb 1.49 0.27 -0.01 0.00 0.00 0.00 0.00 17.79 19.53 3knj h ALA 18 CO -0.34 -0.79 -0.20 -0.07 0.00 0.00 0.00 179.25 177.85 3knj h LEU 19 N 0.13 0.51 -0.49 0.00 -0.00 -1.62 -3.16 115.31 110.68 3knj h LEU 19 Ca 0.79 -0.16 0.10 0.00 -0.00 0.00 0.00 57.88 58.61 3knj h LEU 19 Cb 1.97 -0.14 -0.09 0.00 -0.00 0.00 0.00 40.66 42.41 3knj h LEU 19 CO -0.71 0.72 -0.07 0.74 -0.00 0.00 0.00 178.44 179.12 3knj h THR 20 N 0.46 0.55 0.00 0.22 2.02 0.40 -2.99 112.91 113.57 3knj h THR 20 Ca 0.08 -0.02 -0.47 0.00 0.77 0.00 0.00 66.41 66.77 3knj h THR 20 Cb 0.60 0.50 0.04 0.00 -1.74 0.00 0.00 68.15 67.56 3knj h THR 20 CO 0.04 0.01 2.17 -1.22 0.37 0.00 0.00 175.52 176.89 3knj n TYR 21 N -5.30 1.29 -3.66 3.16 4.02 -1.20 -4.62 117.16 110.84 3knj n TYR 21 Ca 0.05 -1.58 -0.09 0.00 -0.01 0.00 0.00 57.90 56.26 3knj n TYR 21 Cb 0.27 -1.47 -0.08 0.00 -0.02 0.00 0.00 39.34 38.03 3knj n TYR 21 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 3knj s ILE 22 N 4.63 -0.01 -0.53 -0.72 1.01 -1.13 -4.83 121.20 119.62 3knj s ILE 22 Ca 0.46 0.03 -0.28 0.00 0.00 0.00 0.00 60.65 60.86 3knj s ILE 22 Cb 0.11 -0.85 -0.00 0.00 0.01 0.00 0.00 42.46 41.73 3knj s ILE 22 CO 0.07 0.01 1.63 -0.47 0.00 0.00 0.00 174.94 176.19 3knj s TYR 23 N 1.31 1.99 0.00 3.97 6.04 -1.26 -1.83 117.35 127.57 3knj s TYR 23 Ca -0.08 0.60 0.00 0.00 0.04 0.00 0.00 57.07 57.63 3knj s TYR 23 Cb -0.06 -4.24 0.00 0.00 -1.04 0.00 0.00 41.96 36.62 3knj s TYR 23 CO -0.14 -2.28 0.00 0.41 -1.54 0.00 0.00 175.55 172.00 3knj n GLY 24 N 5.43 2.32 3.46 8.97 0.00 -1.26 0.52 105.19 124.63 3knj n GLY 24 Ca 0.17 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.81 3knj n GLY 24 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3knj s ILE 25 N -2.17 4.58 0.45 -0.61 1.09 -0.76 -4.97 121.20 118.80 3knj s ILE 25 Ca 0.00 -0.24 0.02 0.00 -1.10 0.00 0.00 60.65 59.34 3knj s ILE 25 Cb 0.00 -3.24 -0.01 0.00 -1.06 0.00 0.00 42.46 38.16 3knj s ILE 25 CO 0.00 0.20 0.09 0.61 -0.10 0.00 0.00 174.94 175.74 3knj n GLY 26 N 4.97 3.37 0.29 6.18 0.00 -1.26 -4.14 105.19 114.60 3knj n GLY 26 Ca -0.15 -2.22 0.09 0.00 0.00 0.00 0.00 46.02 43.75 3knj n GLY 26 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3knj h LYS 27 N 0.00 0.00 0.00 1.61 1.63 -1.92 0.10 116.57 117.99 3knj h LYS 27 Ca -0.36 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.44 3knj h LYS 27 Cb 1.23 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.86 3knj h LYS 27 CO 0.58 0.00 -0.11 0.00 -3.45 0.00 0.00 179.45 176.47 3knj h ALA 28 N 0.94 0.00 0.00 5.00 0.00 -1.95 -3.35 119.26 119.90 3knj h ALA 28 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.74 3knj h ALA 28 Cb 0.99 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.89 3knj h ALA 28 CO 0.00 0.11 0.00 0.54 0.00 0.00 0.00 179.25 179.90 3knj n ARG 29 N -3.43 0.72 0.00 0.00 1.74 -0.83 -3.33 116.66 111.53 3knj n ARG 29 Ca -0.02 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.06 3knj n ARG 29 Cb 0.06 -1.06 0.00 0.00 -1.02 0.00 0.00 32.46 30.44 3knj n ARG 29 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3knj n ALA 30 N -0.40 -0.09 1.31 7.54 0.00 0.29 -3.43 120.51 125.74 3knj n ALA 30 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.57 3knj n ALA 30 Cb 0.03 0.00 0.69 0.00 0.00 0.00 0.00 19.45 20.16 3knj n ALA 30 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3knj n LYS 31 N -1.87 0.43 0.07 0.00 5.02 -1.25 -1.95 118.16 118.61 3knj n LYS 31 Ca 0.00 0.03 -0.06 0.00 -2.02 0.00 0.00 58.31 56.26 3knj n LYS 31 Cb 0.00 -1.50 -0.10 0.00 -0.02 0.00 0.00 35.03 33.41 3knj n LYS 31 CO 0.00 0.00 0.00 1.49 -0.52 0.00 0.00 177.40 178.37 3knj h GLU 32 N 0.00 0.00 0.03 1.97 4.22 -1.70 0.11 114.58 119.22 3knj h GLU 32 Ca 0.00 0.00 -0.29 0.00 0.08 0.00 0.00 59.36 59.15 3knj h GLU 32 Cb 0.22 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.44 3knj h GLU 32 CO 0.00 0.93 -1.60 0.00 -2.18 0.00 0.00 179.01 176.16 3knj h ALA 33 N 1.07 0.58 0.18 2.92 0.00 -1.52 -3.19 119.26 119.31 3knj h ALA 33 Ca -0.01 -1.31 -0.01 0.00 0.00 0.00 0.00 54.91 53.58 3knj h ALA 33 Cb 1.71 0.38 0.00 0.00 0.00 0.00 0.00 17.79 19.88 3knj h ALA 33 CO 0.12 1.43 -0.08 -0.07 0.00 0.00 0.00 179.25 180.64 3knj h LEU 34 N 0.02 -0.20 -0.54 0.00 3.38 -1.32 0.47 115.31 117.12 3knj h LEU 34 Ca -0.25 -0.17 0.11 0.00 0.09 0.00 0.00 57.88 57.65 3knj h LEU 34 Cb 1.98 0.05 -0.10 0.00 0.09 0.00 0.00 40.66 42.68 3knj h LEU 34 CO 0.10 0.06 -0.16 1.05 0.09 0.00 0.00 178.44 179.59 3knj h GLU 35 N -0.47 -0.02 0.00 1.13 4.11 -0.89 0.75 114.58 119.19 3knj h GLU 35 Ca -0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.41 3knj h GLU 35 Cb 0.36 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.62 3knj h GLU 35 CO 0.04 -0.02 0.00 1.63 0.07 0.00 0.00 179.01 180.73 3knj n LYS 36 N -5.39 0.00 0.10 1.06 4.76 -1.04 -1.49 118.16 116.16 3knj n LYS 36 Ca 0.05 0.40 0.05 0.00 -2.87 0.00 0.00 58.31 55.94 3knj n LYS 36 Cb 0.30 -1.28 0.25 0.00 -1.84 0.00 0.00 35.03 32.45 3knj n LYS 36 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 3knj n THR 37 N -1.52 0.90 -2.41 -0.18 -2.24 0.13 -4.78 114.28 104.18 3knj n THR 37 Ca 0.00 0.65 -0.07 0.00 -2.27 0.00 0.00 64.05 62.37 3knj n THR 37 Cb 0.00 -1.65 0.03 0.00 -2.10 0.00 0.00 70.33 66.61 3knj n THR 37 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3knj n GLY 38 N -1.29 0.06 3.34 3.38 0.00 0.24 -4.95 105.19 105.96 3knj n GLY 38 Ca -0.01 -0.06 -0.28 0.00 0.00 0.00 0.00 46.02 45.67 3knj n GLY 38 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3knj s ILE 39 N -3.16 2.06 0.38 -0.61 1.01 0.13 -5.01 121.20 116.00 3knj s ILE 39 Ca 0.11 -1.53 -0.17 0.00 0.00 0.00 0.00 60.65 59.06 3knj s ILE 39 Cb -0.01 -1.80 -0.09 0.00 0.01 0.00 0.00 42.46 40.56 3knj s ILE 39 CO 0.31 0.18 0.83 0.21 0.00 0.00 0.00 174.94 176.47 3knj s ASN 40 N -1.65 6.80 -0.02 3.58 2.47 -1.26 -4.44 114.94 120.43 3knj s ASN 40 Ca 0.11 1.44 -0.08 0.00 0.42 0.00 0.00 52.86 54.75 3knj s ASN 40 Cb -0.10 -2.44 -0.30 0.00 -1.45 0.00 0.00 41.25 36.96 3knj s ASN 40 CO 0.04 -0.30 0.79 -0.65 -3.72 0.00 0.00 177.10 173.26 3knj h PRO 41 N 1.96 0.35 -0.60 0.43 0.11 -1.98 -3.38 132.00 128.88 3knj h PRO 41 Ca -0.48 -0.59 0.00 0.00 0.11 0.00 0.00 66.00 65.04 3knj h PRO 41 Cb 1.18 0.22 -0.03 0.00 0.11 0.00 0.00 31.00 32.48 3knj h PRO 41 CO 0.63 1.24 0.39 0.00 -0.21 0.00 0.00 178.00 180.05 3knj h ALA 42 N 0.29 1.55 -2.95 -0.75 0.00 -1.95 -3.28 119.26 112.18 3knj h ALA 42 Ca -0.29 -0.05 -0.54 0.00 0.00 0.00 0.00 54.91 54.03 3knj h ALA 42 Cb 2.07 -0.24 0.12 0.00 0.00 0.00 0.00 17.79 19.73 3knj h ALA 42 CO 0.18 0.41 0.62 0.95 0.00 0.00 0.00 179.25 181.41 3knj s THR 43 N -5.67 2.28 0.71 0.00 -4.23 -1.26 -4.56 115.64 102.91 3knj s THR 43 Ca -0.10 0.23 -0.10 0.00 -1.18 0.00 0.00 61.69 60.54 3knj s THR 43 Cb 0.17 -3.12 0.03 0.00 1.34 0.00 0.00 72.50 70.93 3knj s THR 43 CO 0.76 0.01 1.08 -0.13 -0.54 0.00 0.00 174.62 175.81 3knj s ARG 44 N -2.67 2.60 0.25 3.99 1.81 -1.26 -1.96 118.95 121.70 3knj s ARG 44 Ca 0.66 0.25 0.16 0.00 -1.72 0.00 0.00 55.73 55.08 3knj s ARG 44 Cb -0.39 -2.05 0.04 0.00 -0.45 0.00 0.00 34.95 32.09 3knj s ARG 44 CO 0.48 -1.14 1.33 0.28 -0.68 0.00 0.00 175.30 175.57 3knj h VAL 45 N -0.68 0.74 0.00 3.52 2.07 -1.90 -3.20 116.25 116.80 3knj h VAL 45 Ca -0.45 -2.09 0.00 0.00 0.82 0.00 0.00 66.70 64.98 3knj h VAL 45 Cb 1.28 2.31 0.00 0.00 -1.52 0.00 0.00 31.29 33.36 3knj h VAL 45 CO 0.64 0.42 0.00 2.29 0.02 0.00 0.00 177.57 180.94 3knj n LYS 46 N -3.14 0.92 -3.67 1.57 2.85 -1.26 -4.55 118.16 110.87 3knj n LYS 46 Ca -0.00 0.00 -0.21 0.00 -1.05 0.00 0.00 58.31 57.05 3knj n LYS 46 Cb 0.74 -1.09 -0.18 0.00 -0.65 0.00 0.00 35.03 33.85 3knj n LYS 46 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 3knj s ASP 47 N -0.89 1.42 0.00 -5.58 1.11 -1.21 -5.08 116.67 106.44 3knj s ASP 47 Ca 0.00 -0.07 0.00 0.00 0.18 0.00 0.00 52.55 52.66 3knj s ASP 47 Cb 0.00 -0.20 0.00 0.00 1.07 0.00 0.00 42.92 43.79 3knj s ASP 47 CO 0.00 -0.26 0.00 0.00 1.18 0.00 0.00 175.17 176.09 3knj n LEU 48 N 5.27 0.00 -4.44 1.23 -0.00 -1.26 -4.68 117.00 113.12 3knj n LEU 48 Ca -0.04 0.00 -0.34 0.00 -0.00 0.00 0.00 56.01 55.63 3knj n LEU 48 Cb 0.50 0.00 0.10 0.00 -0.00 0.00 0.00 43.42 44.02 3knj n LEU 48 CO 0.07 0.00 -0.02 0.41 -0.00 0.00 0.00 177.39 177.85 3knj n THR 49 N 0.00 0.72 -0.39 1.47 -1.04 -1.26 -4.47 114.28 109.30 3knj n THR 49 Ca 0.00 -0.27 0.32 0.00 -2.04 0.00 0.00 64.05 62.06 3knj n THR 49 Cb 0.00 -0.68 0.59 0.00 -1.82 0.00 0.00 70.33 68.43 3knj n THR 49 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 3knj h GLU 50 N -1.10 0.15 0.55 -2.82 4.39 -2.01 0.41 114.58 114.14 3knj h GLU 50 Ca -0.44 -0.01 -0.03 0.00 0.34 0.00 0.00 59.36 59.22 3knj h GLU 50 Cb 1.31 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.92 3knj h GLU 50 CO 0.37 0.10 -0.30 0.00 -1.16 0.00 0.00 179.01 178.02 3knj h ALA 51 N 1.71 -1.17 -1.63 3.43 0.00 -1.97 0.90 119.26 120.52 3knj h ALA 51 Ca 0.79 -0.17 0.47 0.00 0.00 0.00 0.00 54.91 56.00 3knj h ALA 51 Cb 2.25 0.38 -0.07 0.00 0.00 0.00 0.00 17.79 20.36 3knj h ALA 51 CO -0.49 -1.13 1.25 0.93 0.00 0.00 0.00 179.25 179.80 3knj h GLU 52 N -0.79 0.00 0.00 0.00 5.08 -0.49 1.21 114.58 119.59 3knj h GLU 52 Ca -0.07 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 3knj h GLU 52 Cb 0.62 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.87 3knj h GLU 52 CO 0.10 0.00 -0.11 0.28 -1.00 0.00 0.00 179.01 178.27 3knj h VAL 53 N 0.00 0.00 -0.76 3.13 2.07 -0.55 -3.22 116.25 116.91 3knj h VAL 53 Ca 0.77 -0.24 0.13 0.00 0.82 0.00 0.00 66.70 68.19 3knj h VAL 53 Cb 3.26 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 32.94 3knj h VAL 53 CO -0.01 0.00 0.35 0.58 0.02 0.00 0.00 177.57 178.51 3knj h VAL 54 N -0.24 0.73 0.00 2.57 2.07 0.12 0.20 116.25 121.70 3knj h VAL 54 Ca 0.00 -0.18 -0.02 0.00 0.82 0.00 0.00 66.70 67.32 3knj h VAL 54 Cb 0.11 0.15 -0.00 0.00 -1.52 0.00 0.00 31.29 30.03 3knj h VAL 54 CO 0.00 0.10 -0.07 -0.09 0.02 0.00 0.00 177.57 177.52 3knj h ARG 55 N 0.53 0.00 0.00 1.57 2.43 0.14 0.11 114.38 119.16 3knj h ARG 55 Ca 0.41 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.57 3knj h ARG 55 Cb 0.56 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.11 3knj h ARG 55 CO -0.36 0.07 -0.30 1.25 -1.51 0.00 0.00 179.97 179.13 3knj h LEU 56 N 0.00 0.00 -1.76 3.80 7.12 -0.87 -3.33 115.31 120.27 3knj h LEU 56 Ca -0.00 -0.05 0.51 0.00 0.13 0.00 0.00 57.88 58.47 3knj h LEU 56 Cb 0.21 0.00 -0.10 0.00 -0.53 0.00 0.00 40.66 40.24 3knj h LEU 56 CO 0.01 0.68 1.16 -0.09 -0.13 0.00 0.00 178.44 180.06 3knj h ARG 57 N -1.00 0.02 0.00 1.25 2.43 -0.59 -2.12 114.38 114.37 3knj h ARG 57 Ca -0.01 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 3knj h ARG 57 Cb 0.33 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.87 3knj h ARG 57 CO -0.01 0.01 0.00 0.39 -1.51 0.00 0.00 179.97 178.86 3knj n GLU 58 N -4.26 0.00 0.00 0.20 -0.58 0.01 -2.44 120.64 113.57 3knj n GLU 58 Ca 0.41 0.16 0.00 0.00 -0.42 0.00 0.00 57.16 57.30 3knj n GLU 58 Cb 1.75 -0.84 0.00 0.00 -0.57 0.00 0.00 31.44 31.78 3knj n GLU 58 CO 0.00 0.00 0.00 0.98 -0.48 0.00 0.00 177.13 177.63 3knj n TYR 59 N -0.49 0.00 0.00 -0.32 9.36 -0.80 -2.82 117.16 122.08 3knj n TYR 59 Ca 0.00 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.22 3knj n TYR 59 Cb 0.00 -0.18 0.00 0.00 -0.63 0.00 0.00 39.34 38.53 3knj n TYR 59 CO 0.00 0.00 0.00 0.28 0.22 0.00 0.00 176.86 177.36 3knj n VAL 60 N -1.78 0.00 0.00 2.97 0.31 -1.21 0.11 118.33 118.73 3knj n VAL 60 Ca 0.00 0.40 0.00 0.00 -0.01 0.00 0.00 64.34 64.73 3knj n VAL 60 Cb 0.00 -0.62 0.00 0.00 -0.91 0.00 0.00 33.84 32.31 3knj n VAL 60 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 3knj n GLU 61 N -0.59 0.00 -0.04 5.55 2.13 -1.02 -2.48 120.64 124.19 3knj n GLU 61 Ca 0.00 0.01 -0.08 0.00 0.66 0.00 0.00 57.16 57.75 3knj n GLU 61 Cb 0.00 -1.50 -0.03 0.00 0.27 0.00 0.00 31.44 30.18 3knj n GLU 61 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 3knj n ASN 62 N -0.89 0.68 0.00 4.31 4.13 0.12 -4.79 115.26 118.82 3knj n ASN 62 Ca 0.00 0.08 0.00 0.00 1.68 0.00 0.00 54.58 56.34 3knj n ASN 62 Cb 0.00 -0.21 0.00 0.00 -1.54 0.00 0.00 39.78 38.04 3knj n ASN 62 CO 0.00 0.00 0.00 0.41 0.28 0.00 0.00 177.26 177.95 3knj n THR 63 N -3.29 1.49 -1.21 3.41 -1.04 0.11 -4.85 114.28 108.90 3knj n THR 63 Ca -0.14 0.44 0.00 0.00 -2.04 0.00 0.00 64.05 62.31 3knj n THR 63 Cb 0.60 -1.44 0.00 0.00 -1.82 0.00 0.00 70.33 67.68 3knj n THR 63 CO 0.00 0.00 0.00 -2.67 -0.64 0.00 0.00 175.07 171.76 3knj n TRP 64 N -1.36 0.00 -4.68 -1.42 2.14 -1.26 -5.09 117.44 105.78 3knj n TRP 64 Ca 0.00 0.00 -0.26 0.00 2.07 0.00 0.00 57.50 59.31 3knj n TRP 64 Cb 0.06 0.00 -0.14 0.00 -0.81 0.00 0.00 31.31 30.42 3knj n TRP 64 CO 0.00 0.00 0.00 0.21 2.07 0.00 0.00 177.69 179.97 3knj s LYS 65 N 1.96 1.46 0.01 -2.67 2.20 -1.26 -5.02 119.74 116.42 3knj s LYS 65 Ca 0.00 -0.99 0.01 0.00 -0.36 0.00 0.00 55.97 54.63 3knj s LYS 65 Cb 0.00 -1.60 -0.01 0.00 -1.51 0.00 0.00 37.83 34.71 3knj s LYS 65 CO 0.00 0.41 -0.03 -0.51 -0.36 0.00 0.00 175.35 174.86 3knj s LEU 66 N -1.23 2.09 0.00 5.43 1.02 -1.26 -4.76 118.68 119.97 3knj s LEU 66 Ca 0.08 -0.21 0.00 0.00 0.02 0.00 0.00 54.13 54.03 3knj s LEU 66 Cb -0.09 -0.04 0.00 0.00 0.02 0.00 0.00 46.19 46.08 3knj s LEU 66 CO 0.02 -0.09 0.00 1.21 0.02 0.00 0.00 176.35 177.51 3knj n GLU 67 N 2.49 0.00 0.00 1.70 4.07 0.18 -3.53 120.64 125.56 3knj n GLU 67 Ca -0.16 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 56.94 3knj n GLU 67 Cb 0.58 -0.33 0.00 0.00 -0.06 0.00 0.00 31.44 31.63 3knj n GLU 67 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3knj n GLY 68 N -1.79 1.32 2.65 8.31 0.00 -1.26 -2.94 105.19 111.47 3knj n GLY 68 Ca 0.00 0.43 -0.32 0.00 0.00 0.00 0.00 46.02 46.13 3knj n GLY 68 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3knj n GLU 69 N 0.00 3.14 0.00 1.61 0.00 -1.23 0.92 120.64 125.08 3knj n GLU 69 Ca 0.00 -4.08 0.00 0.00 0.00 0.00 0.00 57.16 53.08 3knj n GLU 69 Cb 0.00 -2.26 0.00 0.00 0.00 0.00 0.00 31.44 29.18 3knj n GLU 69 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.13 177.02 3knj n LEU 70 N -0.51 0.00 -0.12 4.31 7.94 -1.15 -4.28 117.00 123.19 3knj n LEU 70 Ca 0.46 0.00 0.12 0.00 -1.11 0.00 0.00 56.01 55.47 3knj n LEU 70 Cb 0.49 0.00 0.21 0.00 0.53 0.00 0.00 43.42 44.65 3knj n LEU 70 CO 0.41 -0.49 0.38 -1.14 -1.11 0.00 0.00 177.39 175.44 3knj n ARG 71 N -2.47 -0.02 0.05 1.96 0.63 -1.15 0.26 116.66 115.92 3knj n ARG 71 Ca 0.00 0.50 0.13 0.00 -0.92 0.00 0.00 57.85 57.56 3knj n ARG 71 Cb 0.00 -0.90 0.50 0.00 0.45 0.00 0.00 32.46 32.52 3knj n ARG 71 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3knj n ALA 72 N -2.73 2.19 -0.01 5.13 0.00 0.26 -3.28 120.51 122.07 3knj n ALA 72 Ca 0.14 -0.05 -0.12 0.00 0.00 0.00 0.00 53.44 53.40 3knj n ALA 72 Cb 0.47 -1.44 -0.10 0.00 0.00 0.00 0.00 19.45 18.38 3knj n ALA 72 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 3knj h GLU 73 N 0.00 -0.06 0.00 0.00 4.81 0.34 -2.98 114.58 116.69 3knj h GLU 73 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 3knj h GLU 73 Cb 0.54 0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.94 3knj h GLU 73 CO 0.00 0.55 0.00 0.28 -0.73 0.00 0.00 179.01 179.11 3knj h VAL 74 N -0.74 0.00 0.00 0.32 2.07 -1.58 -2.94 116.25 113.38 3knj h VAL 74 Ca -0.01 -0.01 0.00 0.00 0.82 0.00 0.00 66.70 67.50 3knj h VAL 74 Cb 0.63 0.81 0.00 0.00 -1.52 0.00 0.00 31.29 31.21 3knj h VAL 74 CO 0.01 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.60 3knj n ALA 75 N -1.96 -0.35 0.30 1.67 0.00 -1.13 -2.83 120.51 116.20 3knj n ALA 75 Ca -0.02 0.00 0.16 0.00 0.00 0.00 0.00 53.44 53.58 3knj n ALA 75 Cb 0.06 0.03 0.92 0.00 0.00 0.00 0.00 19.45 20.46 3knj n ALA 75 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3knj h ALA 76 N -1.96 1.31 -0.57 0.00 0.00 -1.56 0.33 119.26 116.82 3knj h ALA 76 Ca 0.00 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 3knj h ALA 76 Cb 0.00 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 3knj h ALA 76 CO 0.00 0.04 0.10 -0.97 0.00 0.00 0.00 179.25 178.42 3knj h ASN 77 N 0.00 0.86 0.02 0.00 -0.73 -1.55 1.70 115.58 115.88 3knj h ASN 77 Ca -0.00 -0.18 -0.09 0.00 1.87 0.00 0.00 56.30 57.90 3knj h ASN 77 Cb 0.12 -0.23 0.01 0.00 0.27 0.00 0.00 38.32 38.49 3knj h ASN 77 CO 0.00 0.86 -0.35 0.40 -0.37 0.00 0.00 177.43 177.98 3knj h ILE 78 N 0.86 1.56 -0.89 2.57 2.04 -1.09 -3.24 117.51 119.32 3knj h ILE 78 Ca 0.18 -2.10 0.15 0.00 1.00 0.00 0.00 64.86 64.09 3knj h ILE 78 Cb 0.37 2.88 -0.16 0.00 -0.74 0.00 0.00 36.82 39.18 3knj h ILE 78 CO 0.01 0.58 -0.32 0.11 0.00 0.00 0.00 178.15 178.52 3knj h LYS 79 N -0.49 -0.03 -0.99 2.37 1.57 -0.17 0.42 116.57 119.25 3knj h LYS 79 Ca -0.05 0.00 0.15 0.00 -1.87 0.00 0.00 60.65 58.88 3knj h LYS 79 Cb 1.14 0.01 -0.16 0.00 0.08 0.00 0.00 32.23 33.30 3knj h LYS 79 CO 0.07 -0.02 -0.40 -2.13 -0.57 0.00 0.00 179.45 176.40 3knj n ARG 80 N -5.50 -0.25 0.00 3.15 0.63 0.57 -0.16 116.66 115.10 3knj n ARG 80 Ca 0.10 1.52 0.00 0.00 -0.92 0.00 0.00 57.85 58.55 3knj n ARG 80 Cb 0.41 -2.26 0.00 0.00 0.45 0.00 0.00 32.46 31.06 3knj n ARG 80 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 3knj n LEU 81 N -5.44 0.00 -2.14 6.15 4.77 0.15 -0.05 117.00 120.43 3knj n LEU 81 Ca 0.10 0.00 -0.27 0.00 -0.03 0.00 0.00 56.01 55.81 3knj n LEU 81 Cb 0.39 0.00 0.08 0.00 -2.33 0.00 0.00 43.42 41.56 3knj n LEU 81 CO -0.14 0.00 1.33 1.15 -1.33 0.00 0.00 177.39 178.40 3knj n MET 82 N -0.70 2.31 0.00 3.23 0.00 0.77 -3.83 117.12 118.89 3knj n MET 82 Ca 0.00 -2.64 0.00 0.00 0.00 0.00 0.00 57.70 55.06 3knj n MET 82 Cb 0.00 -2.04 0.00 0.00 0.00 0.00 0.00 33.22 31.18 3knj n MET 82 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 175.97 175.57 3knj n ASP 83 N -0.56 0.00 0.13 3.17 3.85 0.92 -4.70 116.55 119.37 3knj n ASP 83 Ca 0.51 0.00 0.05 0.00 -0.71 0.00 0.00 54.79 54.64 3knj n ASP 83 Cb 0.81 0.00 0.03 0.00 -1.35 0.00 0.00 41.12 40.62 3knj n ASP 83 CO 0.00 0.00 0.00 0.40 -1.01 0.00 0.00 177.20 176.59 3knj h ILE 84 N 0.00 0.50 0.00 2.12 1.08 -1.88 -3.46 117.51 115.86 3knj h ILE 84 Ca 0.00 -1.76 0.00 0.00 -0.39 0.00 0.00 64.86 62.71 3knj h ILE 84 Cb 0.00 2.15 0.00 0.00 -3.07 0.00 0.00 36.82 35.90 3knj h ILE 84 CO 0.00 0.28 0.00 0.61 -0.69 0.00 0.00 178.15 178.35 3knj n GLY 85 N 1.22 0.07 3.61 5.37 0.00 -1.26 -5.13 105.19 109.07 3knj n GLY 85 Ca 0.00 -0.40 -0.35 0.00 0.00 0.00 0.00 46.02 45.26 3knj n GLY 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3knj h TYR 87 N -0.32 0.00 -0.00 0.00 3.20 -1.93 -0.02 116.97 117.90 3knj h TYR 87 Ca -0.47 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.40 3knj h TYR 87 Cb 1.33 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.60 3knj h TYR 87 CO 0.40 0.14 -0.29 -2.13 -1.64 0.00 0.00 178.16 174.64 3knj n ARG 88 N -3.57 0.29 -0.06 1.82 0.63 -1.26 -3.87 116.66 110.65 3knj n ARG 88 Ca -0.01 -0.14 -0.04 0.00 -0.92 0.00 0.00 57.85 56.74 3knj n ARG 88 Cb 0.28 -1.50 -0.04 0.00 0.45 0.00 0.00 32.46 31.65 3knj n ARG 88 CO 0.00 0.00 0.00 0.78 -2.51 0.00 0.00 177.63 175.90 3knj h GLY 89 N 4.98 0.00 -3.36 5.14 0.00 -1.19 -3.38 103.07 105.26 3knj h GLY 89 Ca 0.00 0.00 -0.49 0.00 0.00 0.00 0.00 47.33 46.84 3knj h GLY 89 CO 0.00 0.00 0.43 1.08 0.00 0.00 0.00 176.54 178.05 3knj s LEU 90 N -8.44 4.40 0.00 3.11 1.43 -1.07 0.15 118.68 118.26 3knj s LEU 90 Ca -0.06 2.11 0.00 0.00 -1.03 0.00 0.00 54.13 55.15 3knj s LEU 90 Cb -0.01 -3.86 0.00 0.00 0.03 0.00 0.00 46.19 42.36 3knj s LEU 90 CO 0.20 -0.22 0.00 0.54 0.23 0.00 0.00 176.35 177.10 3knj n ARG 91 N 0.72 0.00 -0.08 1.70 5.12 -1.26 -4.63 116.66 118.23 3knj n ARG 91 Ca 0.01 0.00 -0.12 0.00 -1.93 0.00 0.00 57.85 55.82 3knj n ARG 91 Cb 0.47 0.00 -0.04 0.00 -1.16 0.00 0.00 32.46 31.73 3knj n ARG 91 CO 0.00 0.00 0.00 1.58 -1.93 0.00 0.00 177.63 177.28 3knj n HIS 92 N -0.17 0.00 -0.30 -1.55 -0.00 -0.61 -1.74 115.22 110.84 3knj n HIS 92 Ca 0.00 0.00 0.06 0.00 0.46 0.00 0.00 57.72 58.24 3knj n HIS 92 Cb 0.00 -0.51 0.16 0.00 -0.12 0.00 0.00 29.99 29.52 3knj n HIS 92 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 3knj h ARG 93 N -0.82 0.02 -2.17 1.57 -0.00 0.11 -2.45 114.38 110.64 3knj h ARG 93 Ca -0.14 -0.00 -0.57 0.00 -0.50 0.00 0.00 59.98 58.77 3knj h ARG 93 Cb 0.99 -0.01 -0.41 0.00 0.00 0.00 0.00 29.97 30.54 3knj h ARG 93 CO -0.09 0.02 -0.78 0.54 0.00 0.00 0.00 179.97 179.66 3knj n ARG 94 N -5.50 2.28 -0.77 0.04 3.00 -1.26 -5.05 116.66 109.39 3knj n ARG 94 Ca 0.15 -4.33 0.00 0.00 -0.01 0.00 0.00 57.85 53.67 3knj n ARG 94 Cb 0.51 -2.01 -0.00 0.00 0.00 0.00 0.00 32.46 30.96 3knj n ARG 94 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3knj n GLY 95 N 0.43 -0.18 0.00 -0.13 0.00 -0.93 -4.59 105.19 99.80 3knj n GLY 95 Ca 0.28 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.26 3knj n GLY 95 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3knj n LEU 96 N -2.59 0.00 -4.60 0.99 4.77 -0.71 -4.46 117.00 110.40 3knj n LEU 96 Ca -0.00 0.00 -0.50 0.00 -0.03 0.00 0.00 56.01 55.48 3knj n LEU 96 Cb 0.03 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.07 3knj n LEU 96 CO 0.00 0.00 0.85 -0.81 -1.33 0.00 0.00 177.39 176.10 3knj n PRO 97 N 0.68 1.29 -0.02 3.23 -0.04 -1.26 -4.21 135.00 134.66 3knj n PRO 97 Ca 0.00 0.46 0.01 0.00 -0.04 0.00 0.00 63.50 63.93 3knj n PRO 97 Cb 0.00 -2.05 0.02 0.00 -0.04 0.00 0.00 33.50 31.43 3knj n PRO 97 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 3knj n VAL 98 N 2.10 0.68 -1.25 0.52 0.31 -1.26 -4.26 118.33 115.16 3knj n VAL 98 Ca 0.16 -0.84 -0.09 0.00 -0.01 0.00 0.00 64.34 63.56 3knj n VAL 98 Cb 0.23 0.67 0.22 0.00 -0.91 0.00 0.00 33.84 34.05 3knj n VAL 98 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 3knj n ARG 99 N -0.18 2.47 -3.21 5.55 1.74 -1.26 -4.88 116.66 116.88 3knj n ARG 99 Ca 0.02 -3.08 -0.07 0.00 -0.77 0.00 0.00 57.85 53.95 3knj n ARG 99 Cb 0.21 -2.01 0.01 0.00 -1.02 0.00 0.00 32.46 29.64 3knj n ARG 99 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3knj n GLY 100 N -0.87 -0.25 3.45 -0.13 0.00 -1.26 -5.04 105.19 101.09 3knj n GLY 100 Ca 0.42 0.25 -0.23 0.00 0.00 0.00 0.00 46.02 46.45 3knj n GLY 100 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3knj s GLN 101 N -1.32 1.84 -0.81 1.61 -0.21 -1.26 -5.06 119.66 114.46 3knj s GLN 101 Ca 0.07 -2.10 -0.25 0.00 0.02 0.00 0.00 55.36 53.10 3knj s GLN 101 Cb -0.01 -0.38 -0.06 0.00 1.00 0.00 0.00 33.01 33.56 3knj s GLN 101 CO 0.21 -0.50 2.06 -0.98 -2.12 0.00 0.00 175.29 173.97 3knj s ARG 102 N -3.69 2.33 -0.01 2.91 1.04 -1.26 -4.78 118.95 115.49 3knj s ARG 102 Ca 0.29 0.11 0.02 0.00 -1.04 0.00 0.00 55.73 55.11 3knj s ARG 102 Cb 0.03 -4.87 0.07 0.00 -2.04 0.00 0.00 34.95 28.13 3knj s ARG 102 CO 0.17 -3.51 0.85 0.25 -0.04 0.00 0.00 175.30 173.02 3knj n THR 103 N 7.98 0.16 0.00 4.99 -2.24 -1.26 -4.43 114.28 119.49 3knj n THR 103 Ca 0.38 -0.11 0.00 0.00 -2.27 0.00 0.00 64.05 62.06 3knj n THR 103 Cb 0.47 -0.20 0.00 0.00 -2.10 0.00 0.00 70.33 68.51 3knj n THR 103 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3knj n ARG 104 N -0.14 0.00 -2.37 -0.78 3.00 -1.26 -4.90 116.66 110.21 3knj n ARG 104 Ca 0.02 0.00 -0.38 0.00 -0.01 0.00 0.00 57.85 57.49 3knj n ARG 104 Cb 0.18 0.00 -0.03 0.00 0.00 0.00 0.00 32.46 32.62 3knj n ARG 104 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.63 178.58 3knj s THR 105 N 0.26 3.32 0.00 0.55 -4.23 -1.26 -4.74 115.64 109.55 3knj s THR 105 Ca 0.00 1.09 0.00 0.00 -1.18 0.00 0.00 61.69 61.60 3knj s THR 105 Cb 0.00 -3.60 0.00 0.00 1.34 0.00 0.00 72.50 70.24 3knj s THR 105 CO 0.00 0.08 0.00 0.59 -0.54 0.00 0.00 174.62 174.75 3knj n ASN 106 N 0.06 0.00 -0.31 3.99 4.13 -1.26 -4.91 115.26 116.96 3knj n ASN 106 Ca 0.04 0.00 -0.04 0.00 1.68 0.00 0.00 54.58 56.26 3knj n ASN 106 Cb 0.47 0.00 -0.02 0.00 -1.54 0.00 0.00 39.78 38.70 3knj n ASN 106 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3knj n ALA 107 N 2.11 -0.06 0.29 5.41 0.00 -1.26 -4.94 120.51 122.07 3knj n ALA 107 Ca 0.00 0.06 -0.12 0.00 0.00 0.00 0.00 53.44 53.38 3knj n ALA 107 Cb 0.00 -0.77 -0.06 0.00 0.00 0.00 0.00 19.45 18.62 3knj n ALA 107 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3knj h ARG 108 N 0.21 -0.75 -1.37 0.00 2.47 -1.93 -2.35 114.38 110.66 3knj h ARG 108 Ca -0.08 0.05 0.40 0.00 -1.26 0.00 0.00 59.98 59.09 3knj h ARG 108 Cb 0.34 0.17 -0.05 0.00 -1.65 0.00 0.00 29.97 28.78 3knj h ARG 108 CO 0.12 -0.50 1.20 2.41 0.56 0.00 0.00 179.97 183.76 3knj n THR 109 N -4.24 0.00 -0.10 2.04 -1.04 -1.26 -0.14 114.28 109.55 3knj n THR 109 Ca -0.10 1.24 -0.10 0.00 -2.04 0.00 0.00 64.05 63.05 3knj n THR 109 Cb 0.32 -2.13 -0.16 0.00 -1.82 0.00 0.00 70.33 66.53 3knj n THR 109 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 3knj n ARG 110 N -3.39 0.69 -3.11 -2.82 1.74 -1.08 -5.01 116.66 103.68 3knj n ARG 110 Ca 0.31 -0.00 -0.21 0.00 -0.77 0.00 0.00 57.85 57.18 3knj n ARG 110 Cb 1.61 -1.53 0.01 0.00 -1.02 0.00 0.00 32.46 31.53 3knj n ARG 110 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 3knj s LYS 111 N -2.49 3.01 -1.08 5.56 -0.14 0.81 -4.33 119.74 121.07 3knj s LYS 111 Ca -0.10 -0.74 -0.22 0.00 -1.36 0.00 0.00 55.97 53.55 3knj s LYS 111 Cb 0.06 -2.65 0.04 0.00 -1.68 0.00 0.00 37.83 33.60 3knj s LYS 111 CO 0.83 -0.21 1.58 0.20 -0.76 0.00 0.00 175.35 176.98 3knj s GLY 112 N -4.23 1.22 0.00 -3.33 0.00 -1.26 -4.87 107.32 94.84 3knj s GLY 112 Ca 0.49 -2.34 0.00 0.00 0.00 0.00 0.00 44.72 42.86 3knj s GLY 112 CO 0.35 2.80 0.00 -1.05 0.00 0.00 0.00 173.10 175.20 3knj n PRO 113 N 8.75 0.00 -1.50 2.90 -0.02 -1.26 -4.63 135.00 139.24 3knj n PRO 113 Ca 0.38 0.00 -0.44 0.00 -2.02 0.00 0.00 63.50 61.42 3knj n PRO 113 Cb 0.49 -0.24 -0.07 0.00 -0.02 0.00 0.00 33.50 33.67 3knj n PRO 113 CO 0.00 0.00 0.00 2.89 1.98 0.00 0.00 175.50 180.37 3knj n ARG 114 N -1.15 1.02 -0.13 -0.52 0.00 -1.26 -4.83 116.66 109.79 3knj n ARG 114 Ca 0.00 0.20 0.03 0.00 -0.00 0.00 0.00 57.85 58.08 3knj n ARG 114 Cb 0.00 -2.70 0.10 0.00 -0.00 0.00 0.00 32.46 29.86 3knj n ARG 114 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 3knj n LYS 115 N 8.55 1.59 0.00 2.89 5.02 -1.26 -4.96 118.16 129.98 3knj n LYS 115 Ca 0.42 -0.77 0.00 0.00 -2.02 0.00 0.00 58.31 55.94 3knj n LYS 115 Cb 0.32 -1.26 0.00 0.00 -0.02 0.00 0.00 35.03 34.07 3knj n LYS 115 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 3knj n THR 116 N 0.12 0.00 0.00 -0.18 -1.04 -1.26 -4.95 114.28 106.97 3knj n THR 116 Ca 0.07 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.08 3knj n THR 116 Cb 0.23 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.74 3knj n THR 116 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 3knj n VAL 117 N 0.00 -0.39 -2.27 12.58 0.31 -1.26 -5.02 118.33 122.28 3knj n VAL 117 Ca 0.00 0.00 -0.36 0.00 -0.01 0.00 0.00 64.34 63.97 3knj n VAL 117 Cb 0.00 0.00 -0.01 0.00 -0.91 0.00 0.00 33.84 32.92 3knj n VAL 117 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3knj s ALA 118 N -1.52 2.90 0.00 3.52 0.00 -1.26 -5.05 121.76 120.35 3knj s ALA 118 Ca 0.00 0.90 0.00 0.00 0.00 0.00 0.00 51.96 52.86 3knj s ALA 118 Cb 0.00 -3.37 0.00 0.00 0.00 0.00 0.00 23.12 19.75 3knj s ALA 118 CO 0.00 -0.68 0.00 0.41 0.00 0.00 0.00 175.76 175.49 3knj n GLY 119 N 0.36 1.79 0.02 0.00 0.00 -1.26 -5.32 105.19 100.79 3knj n GLY 119 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 3knj n GLY 119 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60