#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3knj s THR 3 N 0.00 4.59 0.00 3.45 -1.32 -1.26 -4.86 115.64 116.24 3knj s THR 3 Ca 0.00 1.22 0.00 0.00 -1.21 0.00 0.00 61.69 61.70 3knj s THR 3 Cb 0.00 -3.82 0.00 0.00 -1.51 0.00 0.00 72.50 67.17 3knj s THR 3 CO 0.00 0.15 0.48 -0.38 -2.21 0.00 0.00 174.62 172.66 3knj n ILE 4 N 0.56 0.00 -0.32 5.08 2.08 -1.26 0.39 119.36 125.89 3knj n ILE 4 Ca -0.01 0.87 0.04 0.00 0.56 0.00 0.00 62.75 64.20 3knj n ILE 4 Cb 0.51 -1.25 0.10 0.00 -0.75 0.00 0.00 39.64 38.25 3knj n ILE 4 CO 0.00 0.00 0.00 -3.20 0.56 0.00 0.00 176.55 173.91 3knj n ASN 5 N -1.36 -0.38 -0.13 4.38 2.85 -1.26 0.19 115.26 119.55 3knj n ASN 5 Ca 0.00 1.51 -0.05 0.00 -0.11 0.00 0.00 54.58 55.93 3knj n ASN 5 Cb 0.00 -0.43 0.04 0.00 1.24 0.00 0.00 39.78 40.63 3knj n ASN 5 CO 0.00 0.00 0.00 1.56 -2.11 0.00 0.00 177.26 176.71 3knj h GLN 6 N 0.00 0.28 -0.60 1.20 4.20 -1.19 0.32 115.11 119.32 3knj h GLN 6 Ca 0.39 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 59.07 3knj h GLN 6 Cb 0.61 -0.06 -0.03 0.00 0.30 0.00 0.00 27.48 28.29 3knj h GLN 6 CO -0.89 0.19 0.34 -0.07 -0.67 0.00 0.00 178.83 177.73 3knj h LEU 7 N 0.29 0.72 -0.27 1.46 4.07 0.70 0.02 115.31 122.30 3knj h LEU 7 Ca 0.20 -0.04 0.06 0.00 0.08 0.00 0.00 57.88 58.17 3knj h LEU 7 Cb 0.20 -0.18 -0.06 0.00 1.08 0.00 0.00 40.66 41.69 3knj h LEU 7 CO -0.21 0.57 -0.12 0.58 -1.08 0.00 0.00 178.44 178.17 3knj h VAL 8 N 0.82 0.60 0.00 1.22 2.07 0.39 1.84 116.25 123.20 3knj h VAL 8 Ca 0.21 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.73 3knj h VAL 8 Cb -0.00 0.60 0.00 0.00 -1.52 0.00 0.00 31.29 30.37 3knj h VAL 8 CO -0.04 0.00 0.00 0.54 0.02 0.00 0.00 177.57 178.09 3knj n ARG 9 N -5.29 0.00 0.04 1.57 1.74 0.29 -4.33 116.66 110.68 3knj n ARG 9 Ca -0.00 0.09 -0.12 0.00 -0.77 0.00 0.00 57.85 57.04 3knj n ARG 9 Cb 0.21 -1.00 -0.01 0.00 -1.02 0.00 0.00 32.46 30.64 3knj n ARG 9 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 3knj h LYS 10 N 0.00 0.47 -3.07 5.56 6.56 -1.11 -3.50 116.57 121.48 3knj h LYS 10 Ca 0.00 -0.41 0.35 0.00 -1.06 0.00 0.00 60.65 59.52 3knj h LYS 10 Cb 0.00 0.10 -0.11 0.00 -0.57 0.00 0.00 32.23 31.64 3knj h LYS 10 CO 0.00 1.05 -0.67 0.41 -2.06 0.00 0.00 179.45 178.18 3knj n GLY 11 N 0.69 -2.08 3.69 3.86 0.00 0.63 -4.77 105.19 107.20 3knj n GLY 11 Ca -0.05 -1.00 -0.42 0.00 0.00 0.00 0.00 46.02 44.55 3knj n GLY 11 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3knj s ARG 12 N -2.75 4.41 0.38 1.61 1.81 -1.26 -4.99 118.95 118.16 3knj s ARG 12 Ca 0.00 1.22 -0.24 0.00 -1.72 0.00 0.00 55.73 54.99 3knj s ARG 12 Cb 0.00 -3.53 -0.10 0.00 -0.45 0.00 0.00 34.95 30.88 3knj s ARG 12 CO 0.00 -0.22 0.98 -2.00 -0.68 0.00 0.00 175.30 173.38 3knj s GLU 13 N 1.72 4.33 -0.88 3.54 2.12 -1.26 -5.00 118.70 123.28 3knj s GLU 13 Ca 0.45 1.33 -0.17 0.00 0.36 0.00 0.00 54.97 56.93 3knj s GLU 13 Cb -0.18 -2.53 0.15 0.00 0.26 0.00 0.00 34.13 31.83 3knj s GLU 13 CO 0.18 0.04 0.99 0.21 -0.54 0.00 0.00 175.26 176.15 3knj s LYS 14 N -2.53 3.56 0.00 4.30 2.36 -1.26 -4.98 119.74 121.19 3knj s LYS 14 Ca 0.56 -1.92 0.00 0.00 -2.55 0.00 0.00 55.97 52.06 3knj s LYS 14 Cb -0.17 -4.72 0.00 0.00 -1.05 0.00 0.00 37.83 31.89 3knj s LYS 14 CO 0.22 -1.62 0.00 1.33 1.55 0.00 0.00 175.35 176.83 3knj n VAL 15 N 5.06 0.00 0.00 4.02 0.24 -1.26 -4.91 118.33 121.47 3knj n VAL 15 Ca 0.19 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.49 3knj n VAL 15 Cb 0.48 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.85 3knj n VAL 15 CO 0.00 0.00 0.00 -1.14 -2.14 0.00 0.00 176.83 173.55 3knj n ARG 16 N 0.00 0.00 -4.05 7.34 0.63 -1.26 -5.09 116.66 114.23 3knj n ARG 16 Ca 0.00 0.00 -0.35 0.00 -0.92 0.00 0.00 57.85 56.58 3knj n ARG 16 Cb 0.00 0.00 -0.12 0.00 0.45 0.00 0.00 32.46 32.79 3knj n ARG 16 CO 0.00 0.00 0.00 -1.59 -2.51 0.00 0.00 177.63 173.53 3knj s LYS 17 N -3.26 3.66 0.00 -0.14 -2.85 -1.26 -5.09 119.74 110.80 3knj s LYS 17 Ca 0.00 -0.50 -0.27 0.00 -1.00 0.00 0.00 55.97 54.20 3knj s LYS 17 Cb 0.00 -3.11 -0.04 0.00 -2.06 0.00 0.00 37.83 32.62 3knj s LYS 17 CO 0.00 0.03 0.85 0.15 0.10 0.00 0.00 175.35 176.48 3knj s LYS 18 N 0.97 4.53 0.10 1.78 3.01 -1.26 -4.99 119.74 123.87 3knj s LYS 18 Ca 0.02 1.19 -0.36 0.00 -1.01 0.00 0.00 55.97 55.81 3knj s LYS 18 Cb -0.14 -3.43 -0.16 0.00 -1.01 0.00 0.00 37.83 33.09 3knj s LYS 18 CO 0.02 0.08 1.38 0.45 0.51 0.00 0.00 175.35 177.79 3knj n SER 19 N 3.52 1.89 -0.04 2.83 2.88 -1.26 -4.84 113.62 118.59 3knj n SER 19 Ca 0.02 1.11 0.15 0.00 -1.33 0.00 0.00 58.87 58.82 3knj n SER 19 Cb 0.51 -1.23 0.78 0.00 -0.75 0.00 0.00 64.21 63.52 3knj n SER 19 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 3knj n LYS 20 N 2.65 0.72 -2.94 -1.46 4.81 -1.26 -4.59 118.16 116.08 3knj n LYS 20 Ca 0.18 -0.08 0.02 0.00 -0.87 0.00 0.00 58.31 57.56 3knj n LYS 20 Cb 0.21 -1.50 0.00 0.00 0.02 0.00 0.00 35.03 33.76 3knj n LYS 20 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 3knj s VAL 21 N -2.34 -0.41 0.00 3.15 0.11 -1.26 -4.96 120.40 114.69 3knj s VAL 21 Ca 0.35 0.00 -0.25 0.00 -2.93 0.00 0.00 61.98 59.15 3knj s VAL 21 Cb 0.21 -0.10 -0.31 0.00 -1.53 0.00 0.00 36.38 34.65 3knj s VAL 21 CO 0.43 0.00 1.48 -0.81 -3.33 0.00 0.00 175.10 172.87 3knj n PRO 22 N 4.18 0.00 0.00 1.54 -0.04 -1.26 -4.51 135.00 134.91 3knj n PRO 22 Ca 0.07 -0.91 0.00 0.00 -0.04 0.00 0.00 63.50 62.63 3knj n PRO 22 Cb 0.61 -2.41 0.01 0.00 -0.04 0.00 0.00 33.50 31.67 3knj n PRO 22 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3knj n ALA 23 N 8.27 1.72 -0.95 0.55 0.00 -1.26 -4.88 120.51 123.96 3knj n ALA 23 Ca 0.38 -0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.82 3knj n ALA 23 Cb 0.34 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 18.79 3knj n ALA 23 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3knj n LEU 24 N -0.53 -1.43 -2.29 0.00 7.99 -1.26 -4.28 117.00 115.20 3knj n LEU 24 Ca 0.00 1.79 0.00 0.00 -0.01 0.00 0.00 56.01 57.79 3knj n LEU 24 Cb 0.00 -1.44 0.00 0.00 -0.11 0.00 0.00 43.42 41.87 3knj n LEU 24 CO 0.00 -0.05 0.00 1.17 -1.51 0.00 0.00 177.39 177.00 3knj n LYS 25 N -1.46 -2.77 -1.57 3.23 4.81 -1.26 0.52 118.16 119.65 3knj n LYS 25 Ca 0.00 0.00 -0.03 0.00 -0.87 0.00 0.00 58.31 57.41 3knj n LYS 25 Cb 0.12 -4.09 -0.01 0.00 0.02 0.00 0.00 35.03 31.07 3knj n LYS 25 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3knj n GLY 26 N -0.44 0.04 3.72 3.14 0.00 -1.26 -4.81 105.19 105.58 3knj n GLY 26 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 3knj n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3knj s ALA 27 N -1.59 2.05 -0.50 4.61 0.00 0.18 -4.91 121.76 121.60 3knj s ALA 27 Ca 0.00 0.71 0.24 0.00 0.00 0.00 0.00 51.96 52.91 3knj s ALA 27 Cb 0.00 -3.42 0.41 0.00 0.00 0.00 0.00 23.12 20.10 3knj s ALA 27 CO 0.00 -1.96 1.55 -1.35 0.00 0.00 0.00 175.76 174.00 3knj h PRO 28 N -0.66 0.00 0.00 0.00 0.11 -1.87 -3.46 132.00 126.12 3knj h PRO 28 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3knj h PRO 28 Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 3knj h PRO 28 CO 0.49 0.00 0.00 1.19 -0.21 0.00 0.00 178.00 179.47 3knj n PHE 29 N -2.77 -0.64 0.00 0.65 3.72 -1.26 -4.81 117.46 112.34 3knj n PHE 29 Ca 0.04 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.44 3knj n PHE 29 Cb 0.50 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.04 3knj n PHE 29 CO 0.00 0.00 0.00 -2.13 -0.05 0.00 0.00 176.76 174.58 3knj n ARG 30 N 0.00 0.00 -3.31 -1.08 3.00 -1.24 -4.96 116.66 109.07 3knj n ARG 30 Ca 0.00 0.00 -0.38 0.00 -0.00 0.00 0.00 57.85 57.47 3knj n ARG 30 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 32.46 32.40 3knj n ARG 30 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.63 178.13 3knj s ARG 31 N -0.77 4.22 0.29 -0.14 3.52 -1.26 -2.14 118.95 122.68 3knj s ARG 31 Ca 0.00 0.58 0.01 0.00 -0.13 0.00 0.00 55.73 56.19 3knj s ARG 31 Cb 0.00 -3.33 -0.02 0.00 -1.56 0.00 0.00 34.95 30.04 3knj s ARG 31 CO 0.00 0.41 0.30 0.20 -0.81 0.00 0.00 175.30 175.40 3knj s GLY 32 N -0.27 1.72 -0.01 8.12 0.00 -1.19 -2.09 107.32 113.60 3knj s GLY 32 Ca 0.28 -1.73 0.08 0.00 0.00 0.00 0.00 44.72 43.34 3knj s GLY 32 CO 0.15 -1.26 -0.25 0.14 0.00 0.00 0.00 173.10 171.87 3knj s VAL 33 N -3.60 2.16 -0.25 1.40 1.01 0.18 -2.60 120.40 118.69 3knj s VAL 33 Ca 0.36 -1.12 -0.27 0.00 0.00 0.00 0.00 61.98 60.96 3knj s VAL 33 Cb 0.03 -1.77 0.01 0.00 0.00 0.00 0.00 36.38 34.64 3knj s VAL 33 CO 0.20 0.55 0.96 0.00 0.00 0.00 0.00 175.10 176.80 3knj h THR 35 N 5.50 0.00 -3.79 0.00 1.35 -1.36 -2.02 112.91 112.59 3knj h THR 35 Ca -0.21 -0.70 -0.69 0.00 -0.55 0.00 0.00 66.41 64.26 3knj h THR 35 Cb 1.07 0.00 -0.20 0.00 -1.73 0.00 0.00 68.15 67.29 3knj h THR 35 CO 0.95 0.00 -0.72 -0.69 -0.25 0.00 0.00 175.52 174.81 3knj s VAL 36 N -1.86 3.48 -0.27 6.82 1.01 -1.20 -4.63 120.40 123.75 3knj s VAL 36 Ca -0.10 -0.57 -0.01 0.00 0.00 0.00 0.00 61.98 61.30 3knj s VAL 36 Cb 0.01 -2.41 0.08 0.00 0.00 0.00 0.00 36.38 34.07 3knj s VAL 36 CO 0.15 0.59 0.04 -0.69 0.00 0.00 0.00 175.10 175.19 3knj s VAL 37 N -0.79 1.06 0.00 2.92 1.01 -1.26 -0.50 120.40 122.84 3knj s VAL 37 Ca 0.12 -1.22 0.00 0.00 0.00 0.00 0.00 61.98 60.88 3knj s VAL 37 Cb -0.11 -1.62 0.00 0.00 0.00 0.00 0.00 36.38 34.65 3knj s VAL 37 CO 0.01 -0.42 0.00 -1.14 0.00 0.00 0.00 175.10 173.56 3knj n ARG 38 N 4.81 0.22 -3.64 2.72 0.63 -0.95 -5.03 116.66 115.42 3knj n ARG 38 Ca -0.06 0.00 -0.04 0.00 -0.92 0.00 0.00 57.85 56.84 3knj n ARG 38 Cb 0.44 0.00 -0.07 0.00 0.45 0.00 0.00 32.46 33.28 3knj n ARG 38 CO 0.00 0.00 0.00 -0.08 -2.51 0.00 0.00 177.63 175.04 3knj s THR 39 N 3.94 0.00 0.21 5.15 -1.32 -1.26 -3.83 115.64 118.53 3knj s THR 39 Ca 0.00 0.00 -0.02 0.00 -1.21 0.00 0.00 61.69 60.46 3knj s THR 39 Cb 0.00 -1.00 -0.04 0.00 -1.51 0.00 0.00 72.50 69.95 3knj s THR 39 CO 0.00 0.00 0.18 0.68 -2.21 0.00 0.00 174.62 173.27 3knj s VAL 40 N -0.11 0.00 -0.14 5.08 -7.23 -1.13 -4.99 120.40 111.88 3knj s VAL 40 Ca 0.07 -1.93 -0.15 0.00 -1.81 0.00 0.00 61.98 58.16 3knj s VAL 40 Cb -0.04 -2.47 -0.05 0.00 0.56 0.00 0.00 36.38 34.39 3knj s VAL 40 CO -0.13 0.00 0.35 0.28 -0.31 0.00 0.00 175.10 175.29 3knj s THR 41 N -4.13 5.26 1.31 5.32 -1.32 -1.26 -3.05 115.64 117.77 3knj s THR 41 Ca 0.37 0.68 -0.19 0.00 -1.21 0.00 0.00 61.69 61.33 3knj s THR 41 Cb 0.06 -3.69 0.33 0.00 -1.51 0.00 0.00 72.50 67.69 3knj s THR 41 CO 0.12 0.38 0.99 -2.16 -2.21 0.00 0.00 174.62 171.74 3knj s PRO 42 N 0.43 -2.05 0.00 7.08 0.04 -1.26 -5.00 135.00 134.24 3knj s PRO 42 Ca 0.20 0.26 0.00 0.00 0.04 0.00 0.00 61.00 61.49 3knj s PRO 42 Cb -0.14 -1.47 0.00 0.00 0.04 0.00 0.00 34.50 32.93 3knj s PRO 42 CO 0.06 -4.33 0.00 1.17 0.04 0.00 0.00 177.00 173.94 3knj n LYS 43 N -5.26 3.49 0.00 4.56 4.81 0.12 -4.85 118.16 121.02 3knj n LYS 43 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.54 3knj n LYS 43 Cb 0.59 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.64 3knj n LYS 43 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 3knj n LYS 44 N 0.00 0.00 -0.51 1.64 4.76 -1.26 -2.23 118.16 120.56 3knj n LYS 44 Ca 0.00 0.00 0.09 0.00 -2.87 0.00 0.00 58.31 55.53 3knj n LYS 44 Cb 0.00 0.00 0.31 0.00 -1.84 0.00 0.00 35.03 33.50 3knj n LYS 44 CO 0.00 0.00 0.00 -0.35 -1.37 0.00 0.00 177.40 175.68 3knj n PRO 45 N 13.05 3.25 -3.45 1.97 -0.04 -1.26 -4.96 135.00 143.56 3knj n PRO 45 Ca 0.00 -2.50 -0.32 0.00 -0.04 0.00 0.00 63.50 60.64 3knj n PRO 45 Cb 0.00 -1.76 -0.05 0.00 -0.04 0.00 0.00 33.50 31.64 3knj n PRO 45 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 3knj s ASN 46 N -0.88 6.61 -0.07 3.54 0.01 -0.95 -5.11 114.94 118.10 3knj s ASN 46 Ca 0.45 0.87 -0.04 0.00 -0.71 0.00 0.00 52.86 53.43 3knj s ASN 46 Cb 0.28 -2.21 0.03 0.00 0.41 0.00 0.00 41.25 39.76 3knj s ASN 46 CO 0.24 -0.05 0.16 -0.55 -1.51 0.00 0.00 177.10 175.38 3knj s SER 47 N -2.37 -0.15 0.00 -1.22 0.15 -1.26 -4.47 113.70 104.39 3knj s SER 47 Ca 0.46 0.33 0.00 0.00 0.70 0.00 0.00 55.95 57.44 3knj s SER 47 Cb -0.11 0.26 0.00 0.00 -1.71 0.00 0.00 66.02 64.46 3knj s SER 47 CO 0.22 -0.11 0.00 0.00 1.20 0.00 0.00 173.24 174.55 3knj n ALA 48 N 3.71 0.00 -3.19 5.45 0.00 -1.26 -5.00 120.51 120.22 3knj n ALA 48 Ca -0.21 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.00 3knj n ALA 48 Cb 0.55 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.93 3knj n ALA 48 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3knj n LEU 49 N 0.00 -0.21 -4.70 0.00 7.99 -1.26 -4.33 117.00 114.49 3knj n LEU 49 Ca 0.00 -4.52 -0.42 0.00 -0.01 0.00 0.00 56.01 51.06 3knj n LEU 49 Cb 0.00 0.64 -0.03 0.00 -0.11 0.00 0.00 43.42 43.92 3knj n LEU 49 CO 0.00 2.03 1.36 -0.13 -1.51 0.00 0.00 177.39 179.14 3knj s ARG 50 N -0.80 4.17 -0.24 3.23 3.00 -1.17 -4.75 118.95 122.39 3knj s ARG 50 Ca 0.34 2.47 -0.28 0.00 0.00 0.00 0.00 55.73 58.26 3knj s ARG 50 Cb 0.15 -3.41 0.01 0.00 0.00 0.00 0.00 34.95 31.69 3knj s ARG 50 CO -0.13 -0.74 0.99 0.15 0.00 0.00 0.00 175.30 175.56 3knj s LYS 51 N 2.10 4.22 0.14 3.54 3.01 -1.26 -2.81 119.74 128.68 3knj s LYS 51 Ca 0.75 1.22 -0.03 0.00 -1.01 0.00 0.00 55.97 56.90 3knj s LYS 51 Cb -0.44 -3.65 -0.03 0.00 -1.01 0.00 0.00 37.83 32.69 3knj s LYS 51 CO 0.33 -0.63 0.11 0.08 0.51 0.00 0.00 175.35 175.75 3knj s VAL 52 N 3.15 0.09 0.08 3.17 1.01 -1.25 -2.74 120.40 123.91 3knj s VAL 52 Ca 0.42 -1.80 -0.01 0.00 0.00 0.00 0.00 61.98 60.58 3knj s VAL 52 Cb -0.15 -2.02 -0.04 0.00 0.00 0.00 0.00 36.38 34.18 3knj s VAL 52 CO 0.07 -0.41 0.01 0.00 0.00 0.00 0.00 175.10 174.77 3knj s ALA 53 N -4.03 0.62 -0.25 5.51 0.00 0.94 -2.24 121.76 122.30 3knj s ALA 53 Ca 0.23 -1.29 -0.15 0.00 0.00 0.00 0.00 51.96 50.75 3knj s ALA 53 Cb 0.07 0.51 -0.04 0.00 0.00 0.00 0.00 23.12 23.66 3knj s ALA 53 CO 0.02 -0.42 0.37 0.15 0.00 0.00 0.00 175.76 175.87 3knj s LYS 54 N -3.97 4.06 -0.15 0.00 1.02 0.35 0.35 119.74 121.39 3knj s LYS 54 Ca 0.14 0.06 -0.00 0.00 0.02 0.00 0.00 55.97 56.19 3knj s LYS 54 Cb 0.08 -3.62 0.03 0.00 -0.52 0.00 0.00 37.83 33.80 3knj s LYS 54 CO -0.05 -0.20 -0.08 0.08 -0.92 0.00 0.00 175.35 174.17 3knj s VAL 55 N 1.84 1.23 -0.05 3.17 1.01 0.70 -0.89 120.40 127.41 3knj s VAL 55 Ca 0.15 -0.56 -0.30 0.00 0.00 0.00 0.00 61.98 61.27 3knj s VAL 55 Cb -0.15 -1.29 -0.03 0.00 0.00 0.00 0.00 36.38 34.91 3knj s VAL 55 CO 0.09 0.27 1.09 -0.60 0.00 0.00 0.00 175.10 175.95 3knj s ARG 56 N 1.60 4.43 0.63 2.72 3.52 0.29 -1.83 118.95 130.31 3knj s ARG 56 Ca 0.03 1.53 0.02 0.00 -0.13 0.00 0.00 55.73 57.18 3knj s ARG 56 Cb -0.14 -3.51 0.09 0.00 -1.56 0.00 0.00 34.95 29.83 3knj s ARG 56 CO -0.08 -0.30 0.88 -0.51 -0.81 0.00 0.00 175.30 174.47 3knj s LEU 57 N 1.79 3.11 0.00 -0.88 2.01 -1.24 0.49 118.68 123.95 3knj s LEU 57 Ca 0.53 -0.38 0.15 0.00 0.01 0.00 0.00 54.13 54.44 3knj s LEU 57 Cb -0.22 -2.16 0.89 0.00 0.01 0.00 0.00 46.19 44.71 3knj s LEU 57 CO 0.22 -1.53 1.35 0.35 1.01 0.00 0.00 176.35 177.76 3knj n THR 58 N -2.55 0.00 0.28 5.49 -2.24 -0.89 -2.05 114.28 112.33 3knj n THR 58 Ca 0.13 0.00 0.11 0.00 -2.27 0.00 0.00 64.05 62.02 3knj n THR 58 Cb 0.60 -0.53 0.27 0.00 -2.10 0.00 0.00 70.33 68.57 3knj n THR 58 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 3knj n SER 59 N -0.85 3.21 0.00 3.42 7.64 -1.26 -4.93 113.62 120.84 3knj n SER 59 Ca 0.11 -1.96 0.00 0.00 1.01 0.00 0.00 58.87 58.03 3knj n SER 59 Cb 0.05 -0.31 0.00 0.00 -1.01 0.00 0.00 64.21 62.94 3knj n SER 59 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3knj n GLY 60 N 1.46 1.99 0.00 0.23 0.00 -0.87 -4.94 105.19 103.06 3knj n GLY 60 Ca 0.20 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.19 3knj n GLY 60 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3knj n TYR 61 N 0.00 -0.22 0.00 1.61 4.02 -1.26 -4.73 117.16 116.59 3knj n TYR 61 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.89 3knj n TYR 61 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.32 3knj n TYR 61 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 176.86 173.94 3knj n GLU 62 N 0.00 0.00 -3.91 -0.72 2.13 -1.26 -3.72 120.64 113.16 3knj n GLU 62 Ca 0.00 0.00 -0.10 0.00 0.66 0.00 0.00 57.16 57.72 3knj n GLU 62 Cb 0.00 0.00 -0.11 0.00 0.27 0.00 0.00 31.44 31.60 3knj n GLU 62 CO 0.00 0.00 0.00 0.14 -0.41 0.00 0.00 177.13 176.86 3knj s VAL 63 N 0.00 0.08 -0.12 6.31 -7.23 -0.76 -4.88 120.40 113.80 3knj s VAL 63 Ca 0.00 -0.69 -0.29 0.00 -1.81 0.00 0.00 61.98 59.19 3knj s VAL 63 Cb 0.00 -0.32 -0.03 0.00 0.56 0.00 0.00 36.38 36.59 3knj s VAL 63 CO 0.00 -0.38 1.47 0.42 -0.31 0.00 0.00 175.10 176.30 3knj s THR 64 N -1.22 3.92 0.28 5.32 -4.23 -1.25 -0.22 115.64 118.24 3knj s THR 64 Ca -0.13 1.11 0.10 0.00 -1.18 0.00 0.00 61.69 61.59 3knj s THR 64 Cb -0.08 -3.73 -0.05 0.00 1.34 0.00 0.00 72.50 69.99 3knj s THR 64 CO 0.00 -0.12 -0.04 0.00 -0.54 0.00 0.00 174.62 173.93 3knj s ALA 65 N 3.85 3.09 -0.08 3.99 0.00 1.08 -4.19 121.76 129.50 3knj s ALA 65 Ca 0.64 -1.73 -0.04 0.00 0.00 0.00 0.00 51.96 50.84 3knj s ALA 65 Cb -0.27 -0.64 -0.04 0.00 0.00 0.00 0.00 23.12 22.17 3knj s ALA 65 CO 0.22 0.25 0.09 -0.47 0.00 0.00 0.00 175.76 175.85 3knj s TYR 66 N -2.38 3.41 -0.41 0.00 6.04 -0.77 -0.04 117.35 123.19 3knj s TYR 66 Ca 0.32 0.36 -0.01 0.00 0.04 0.00 0.00 57.07 57.77 3knj s TYR 66 Cb -0.06 -1.85 0.11 0.00 -1.04 0.00 0.00 41.96 39.13 3knj s TYR 66 CO 0.19 0.62 0.19 0.42 -1.54 0.00 0.00 175.55 175.42 3knj s ILE 67 N -1.04 3.03 0.77 3.14 1.01 -1.11 -1.51 121.20 125.49 3knj s ILE 67 Ca 0.17 -2.26 -0.10 0.00 0.00 0.00 0.00 60.65 58.46 3knj s ILE 67 Cb -0.12 -3.10 0.08 0.00 0.01 0.00 0.00 42.46 39.32 3knj s ILE 67 CO 0.07 -0.69 1.12 -2.84 0.00 0.00 0.00 174.94 172.60 3knj s PRO 68 N 0.92 2.02 0.10 2.79 0.02 -1.26 -4.62 135.00 134.96 3knj s PRO 68 Ca 0.10 -0.05 0.00 0.00 0.02 0.00 0.00 61.00 61.07 3knj s PRO 68 Cb -0.22 -2.03 0.00 0.00 0.02 0.00 0.00 34.50 32.27 3knj s PRO 68 CO -0.05 -1.48 0.00 0.41 -0.33 0.00 0.00 177.00 175.55 3knj n GLY 69 N -3.18 -2.72 3.28 0.52 0.00 -1.26 -4.83 105.19 96.99 3knj n GLY 69 Ca 0.08 -1.98 -0.44 0.00 0.00 0.00 0.00 46.02 43.68 3knj n GLY 69 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3knj s GLU 70 N -0.42 3.45 0.00 1.61 2.56 -1.26 -4.96 118.70 119.67 3knj s GLU 70 Ca 0.00 -2.58 0.00 0.00 0.00 0.00 0.00 54.97 52.39 3knj s GLU 70 Cb 0.00 -4.29 0.00 0.00 2.00 0.00 0.00 34.13 31.84 3knj s GLU 70 CO 0.00 -1.26 0.00 0.41 -0.56 0.00 0.00 175.26 173.85 3knj n GLY 71 N 3.69 2.50 0.00 -1.50 0.00 -1.26 -4.74 105.19 103.88 3knj n GLY 71 Ca 0.14 -1.99 0.00 0.00 0.00 0.00 0.00 46.02 44.17 3knj n GLY 71 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 3knj n HIS 72 N 0.43 0.00 0.00 1.61 1.44 -1.26 -4.97 115.22 112.47 3knj n HIS 72 Ca 0.00 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.71 3knj n HIS 72 Cb 0.00 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.11 3knj n HIS 72 CO 0.00 0.00 0.00 0.27 -2.81 0.00 0.00 176.34 173.80 3knj n ASN 73 N 0.00 0.00 -1.83 4.39 0.23 -1.26 -5.04 115.26 111.75 3knj n ASN 73 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.05 3knj n ASN 73 Cb 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.70 3knj n ASN 73 CO 0.00 0.00 0.00 0.18 -0.93 0.00 0.00 177.26 176.51 3knj n LEU 74 N -0.02 -0.02 0.00 -4.53 4.77 -1.26 -5.08 117.00 110.86 3knj n LEU 74 Ca 0.00 1.01 0.00 0.00 -0.03 0.00 0.00 56.01 56.99 3knj n LEU 74 Cb 0.00 -1.50 0.00 0.00 -2.33 0.00 0.00 43.42 39.59 3knj n LEU 74 CO 0.00 -1.16 0.00 0.00 -1.33 0.00 0.00 177.39 174.90 3knj n GLN 75 N 1.83 2.77 -3.49 3.23 6.02 -1.26 -5.01 117.38 121.47 3knj n GLN 75 Ca 0.00 0.00 -0.37 0.00 -0.01 0.00 0.00 57.00 56.62 3knj n GLN 75 Cb 0.00 0.00 -0.06 0.00 1.02 0.00 0.00 30.24 31.20 3knj n GLN 75 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 177.06 174.05 3knj s GLU 76 N 1.12 4.13 0.00 -1.09 2.12 -1.26 -4.09 118.70 119.62 3knj s GLU 76 Ca 0.00 0.28 0.00 0.00 0.36 0.00 0.00 54.97 55.61 3knj s GLU 76 Cb 0.00 -3.35 0.00 0.00 0.26 0.00 0.00 34.13 31.04 3knj s GLU 76 CO 0.00 0.39 0.00 0.72 -0.54 0.00 0.00 175.26 175.83 3knj n HIS 77 N 2.97 0.00 -1.17 5.30 8.25 -0.76 -5.06 115.22 124.75 3knj n HIS 77 Ca -0.12 0.00 -0.37 0.00 -0.26 0.00 0.00 57.72 56.97 3knj n HIS 77 Cb 0.52 0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.64 3knj n HIS 77 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 3knj n SER 78 N 0.00 -3.70 -4.23 0.41 7.64 -1.26 -4.59 113.62 107.90 3knj n SER 78 Ca 0.00 0.58 -0.35 0.00 1.01 0.00 0.00 58.87 60.12 3knj n SER 78 Cb 0.00 -0.80 -0.14 0.00 -1.01 0.00 0.00 64.21 62.26 3knj n SER 78 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3knj s VAL 79 N -1.91 3.05 0.00 0.44 1.01 -1.26 -2.22 120.40 119.52 3knj s VAL 79 Ca 0.53 -0.95 0.00 0.00 0.00 0.00 0.00 61.98 61.56 3knj s VAL 79 Cb -0.45 -2.54 0.00 0.00 0.00 0.00 0.00 36.38 33.39 3knj s VAL 79 CO 0.64 0.20 0.00 0.52 0.00 0.00 0.00 175.10 176.46 3knj n VAL 80 N 4.70 0.00 -4.13 2.92 0.31 -1.07 -0.92 118.33 120.14 3knj n VAL 80 Ca -0.16 0.00 -0.12 0.00 -0.01 0.00 0.00 64.34 64.04 3knj n VAL 80 Cb 0.47 0.00 -0.11 0.00 -0.91 0.00 0.00 33.84 33.30 3knj n VAL 80 CO 0.00 0.00 0.00 -0.22 -1.32 0.00 0.00 176.83 175.29 3knj s LEU 81 N 0.00 2.39 -0.11 7.52 1.98 -1.26 -3.18 118.68 126.01 3knj s LEU 81 Ca 0.00 -0.79 0.02 0.00 -2.89 0.00 0.00 54.13 50.47 3knj s LEU 81 Cb 0.00 -0.16 -0.01 0.00 0.66 0.00 0.00 46.19 46.67 3knj s LEU 81 CO 0.00 -0.32 -0.17 -0.63 -1.89 0.00 0.00 176.35 173.34 3knj s ILE 82 N -2.49 2.67 -0.04 6.68 -1.09 -0.91 -2.51 121.20 123.51 3knj s ILE 82 Ca 0.02 -0.80 0.13 0.00 -2.23 0.00 0.00 60.65 57.77 3knj s ILE 82 Cb -0.02 -2.08 -0.20 0.00 -1.58 0.00 0.00 42.46 38.57 3knj s ILE 82 CO -0.02 0.54 0.26 -1.14 -1.23 0.00 0.00 174.94 173.35 3knj n ARG 83 N 3.43 0.67 -2.13 2.79 0.63 1.04 -3.62 116.66 119.48 3knj n ARG 83 Ca -0.18 -0.11 -0.00 0.00 -0.92 0.00 0.00 57.85 56.64 3knj n ARG 83 Cb 0.53 -1.33 -0.00 0.00 0.45 0.00 0.00 32.46 32.11 3knj n ARG 83 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3knj n GLY 84 N 1.80 -3.65 3.10 5.14 0.00 -1.23 -4.72 105.19 105.63 3knj n GLY 84 Ca -0.06 0.16 -0.01 0.00 0.00 0.00 0.00 46.02 46.12 3knj n GLY 84 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3knj s GLY 85 N -0.82 -1.04 0.31 -0.02 0.00 -0.67 -4.71 107.32 100.38 3knj s GLY 85 Ca -0.01 0.35 -0.26 0.00 0.00 0.00 0.00 44.72 44.80 3knj s GLY 85 CO 0.41 3.49 0.71 -0.96 0.00 0.00 0.00 173.10 176.75 3knj n ARG 86 N 4.84 0.72 -3.88 2.90 -4.01 -1.23 -4.30 116.66 111.70 3knj n ARG 86 Ca 0.08 0.26 -0.33 0.00 -1.04 0.00 0.00 57.85 56.81 3knj n ARG 86 Cb 0.54 -1.50 -0.13 0.00 -3.04 0.00 0.00 32.46 28.32 3knj n ARG 86 CO 0.00 0.00 0.00 0.08 -3.04 0.00 0.00 177.63 174.67 3knj s VAL 87 N -1.20 2.88 0.00 8.89 1.01 -0.84 -4.98 120.40 126.17 3knj s VAL 87 Ca 0.62 -2.59 0.00 0.00 0.00 0.00 0.00 61.98 60.01 3knj s VAL 87 Cb -0.72 -3.00 0.00 0.00 0.00 0.00 0.00 36.38 32.66 3knj s VAL 87 CO 0.58 -0.72 0.15 1.17 0.00 0.00 0.00 175.10 176.28 3knj n LYS 88 N 3.96 0.00 -0.52 2.72 3.00 -1.26 -0.34 118.16 125.72 3knj n LYS 88 Ca 0.03 0.15 0.43 0.00 -0.00 0.00 0.00 58.31 58.92 3knj n LYS 88 Cb 0.39 -0.23 0.71 0.00 0.00 0.00 0.00 35.03 35.90 3knj n LYS 88 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.40 176.96 3knj h ASP 89 N 0.00 0.16 -3.47 3.14 5.19 -1.96 -3.37 116.42 116.12 3knj h ASP 89 Ca 0.00 0.12 -0.67 0.00 -0.62 0.00 0.00 57.03 55.86 3knj h ASP 89 Cb 0.00 0.12 -0.31 0.00 0.18 0.00 0.00 39.33 39.32 3knj h ASP 89 CO 0.00 -0.20 -0.74 -0.76 -3.12 0.00 0.00 179.24 174.42 3knj s LEU 90 N -9.14 3.12 0.09 1.55 1.43 0.54 0.12 118.68 116.39 3knj s LEU 90 Ca -0.07 -0.77 -0.31 0.00 -1.03 0.00 0.00 54.13 51.96 3knj s LEU 90 Cb 0.30 -1.68 -0.07 0.00 0.03 0.00 0.00 46.19 44.77 3knj s LEU 90 CO 0.84 -0.11 1.26 -2.84 0.23 0.00 0.00 176.35 175.73 3knj s PRO 91 N 1.36 4.40 0.00 1.29 0.02 -1.26 -3.64 135.00 137.17 3knj s PRO 91 Ca 0.02 1.88 0.00 0.00 0.02 0.00 0.00 61.00 62.92 3knj s PRO 91 Cb -0.16 -3.30 0.00 0.00 0.02 0.00 0.00 34.50 31.06 3knj s PRO 91 CO -0.04 -0.30 0.00 0.41 -0.33 0.00 0.00 177.00 176.74 3knj n GLY 92 N 3.20 3.26 3.55 0.52 0.00 -1.26 -5.03 105.19 109.43 3knj n GLY 92 Ca 0.09 -0.92 -0.36 0.00 0.00 0.00 0.00 46.02 44.82 3knj n GLY 92 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3knj s VAL 93 N -0.03 3.26 -0.84 1.61 1.01 -1.24 -4.73 120.40 119.43 3knj s VAL 93 Ca 0.00 0.11 0.15 0.00 0.00 0.00 0.00 61.98 62.24 3knj s VAL 93 Cb 0.00 -3.67 0.48 0.00 0.00 0.00 0.00 36.38 33.19 3knj s VAL 93 CO 0.00 -0.65 1.40 0.54 0.00 0.00 0.00 175.10 176.40 3knj n ARG 94 N 9.11 3.09 -3.70 2.72 1.74 -1.26 -1.99 116.66 126.37 3knj n ARG 94 Ca 0.27 -2.49 -0.23 0.00 -0.77 0.00 0.00 57.85 54.62 3knj n ARG 94 Cb 0.52 -1.58 -0.17 0.00 -1.02 0.00 0.00 32.46 30.21 3knj n ARG 94 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 3knj s TYR 95 N -1.67 0.43 0.31 -1.55 1.51 -1.26 -1.67 117.35 113.45 3knj s TYR 95 Ca 0.36 -0.16 -0.17 0.00 -1.01 0.00 0.00 57.07 56.09 3knj s TYR 95 Cb 0.23 -0.71 -0.09 0.00 -0.11 0.00 0.00 41.96 41.28 3knj s TYR 95 CO 0.17 -0.36 0.75 -1.01 -1.11 0.00 0.00 175.55 173.99 3knj s HIS 96 N 2.05 3.44 -0.20 2.71 3.76 -1.26 -1.85 115.29 123.94 3knj s HIS 96 Ca 0.04 1.30 -0.15 0.00 -0.15 0.00 0.00 55.06 56.09 3knj s HIS 96 Cb -0.14 -2.58 -0.04 0.00 1.11 0.00 0.00 32.58 30.93 3knj s HIS 96 CO -0.06 0.14 0.36 0.42 -0.85 0.00 0.00 174.74 174.76 3knj s ILE 97 N -1.88 5.23 -0.57 0.60 1.01 -0.57 0.34 121.20 125.36 3knj s ILE 97 Ca 0.52 0.63 -0.27 0.00 0.00 0.00 0.00 60.65 61.53 3knj s ILE 97 Cb -0.12 -3.69 -0.01 0.00 0.01 0.00 0.00 42.46 38.64 3knj s ILE 97 CO 0.18 0.28 1.77 -0.69 0.00 0.00 0.00 174.94 176.48 3knj s VAL 98 N 1.20 3.44 0.89 2.92 1.01 -1.05 -4.78 120.40 124.03 3knj s VAL 98 Ca 0.17 0.31 -0.12 0.00 0.00 0.00 0.00 61.98 62.35 3knj s VAL 98 Cb -0.14 -4.00 0.11 0.00 0.00 0.00 0.00 36.38 32.34 3knj s VAL 98 CO 0.07 -0.91 1.01 0.54 0.00 0.00 0.00 175.10 175.81 3knj n ARG 99 N 9.02 -0.25 -3.80 2.72 5.12 -1.26 -3.77 116.66 124.43 3knj n ARG 99 Ca 0.19 -0.01 -0.31 0.00 -1.93 0.00 0.00 57.85 55.80 3knj n ARG 99 Cb 0.51 -2.28 0.02 0.00 -1.16 0.00 0.00 32.46 29.55 3knj n ARG 99 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3knj n GLY 100 N 0.61 -0.72 3.33 -0.13 0.00 -0.85 -4.56 105.19 102.87 3knj n GLY 100 Ca 0.11 0.34 -0.08 0.00 0.00 0.00 0.00 46.02 46.40 3knj n GLY 100 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3knj s VAL 101 N -3.63 -0.61 0.00 1.61 1.01 -0.85 -4.77 120.40 113.15 3knj s VAL 101 Ca 0.32 0.13 0.00 0.00 0.00 0.00 0.00 61.98 62.43 3knj s VAL 101 Cb -0.12 -0.71 0.00 0.00 0.00 0.00 0.00 36.38 35.55 3knj s VAL 101 CO 0.88 0.06 0.00 -1.22 0.00 0.00 0.00 175.10 174.82 3knj n TYR 102 N 5.25 0.00 -0.01 5.22 0.53 -1.26 -2.85 117.16 124.04 3knj n TYR 102 Ca -0.11 0.00 0.03 0.00 -1.02 0.00 0.00 57.90 56.80 3knj n TYR 102 Cb 0.50 0.00 -0.07 0.00 -1.03 0.00 0.00 39.34 38.74 3knj n TYR 102 CO 0.00 0.00 0.00 -0.25 -1.02 0.00 0.00 176.86 175.59 3knj n ASP 103 N 5.82 2.82 -4.69 7.72 9.92 -0.10 -4.99 116.55 133.05 3knj n ASP 103 Ca 0.00 0.00 -0.42 0.00 -0.53 0.00 0.00 54.79 53.84 3knj n ASP 103 Cb 0.00 1.31 -0.03 0.00 -0.64 0.00 0.00 41.12 41.76 3knj n ASP 103 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3knj s ALA 104 N -2.58 3.62 -0.22 2.24 0.00 -1.13 -4.76 121.76 118.93 3knj s ALA 104 Ca -0.04 0.98 -0.29 0.00 0.00 0.00 0.00 51.96 52.62 3knj s ALA 104 Cb 0.05 -3.63 -0.01 0.00 0.00 0.00 0.00 23.12 19.53 3knj s ALA 104 CO 0.39 -0.99 1.29 0.00 0.00 0.00 0.00 175.76 176.45 3knj s ALA 105 N 2.53 3.54 0.41 0.00 0.00 -1.26 -2.00 121.76 124.98 3knj s ALA 105 Ca 0.67 0.33 -0.26 0.00 0.00 0.00 0.00 51.96 52.70 3knj s ALA 105 Cb -0.34 -3.69 -0.10 0.00 0.00 0.00 0.00 23.12 18.99 3knj s ALA 105 CO 0.28 -1.43 1.36 0.41 0.00 0.00 0.00 175.76 176.38 3knj n GLY 106 N 3.91 0.79 3.59 0.00 0.00 -1.26 -4.01 105.19 108.21 3knj n GLY 106 Ca 0.14 0.23 -0.46 0.00 0.00 0.00 0.00 46.02 45.93 3knj n GLY 106 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3knj n VAL 107 N -0.04 0.41 -2.39 1.61 0.31 -0.96 -4.90 118.33 112.37 3knj n VAL 107 Ca 0.05 -0.30 -0.39 0.00 -0.01 0.00 0.00 64.34 63.69 3knj n VAL 107 Cb 0.40 -2.19 -0.03 0.00 -0.91 0.00 0.00 33.84 31.10 3knj n VAL 107 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 3knj s LYS 108 N 5.63 4.33 0.00 5.55 2.20 -1.26 -3.44 119.74 132.75 3knj s LYS 108 Ca 1.00 1.81 0.00 0.00 -0.36 0.00 0.00 55.97 58.41 3knj s LYS 108 Cb -0.54 -2.89 0.00 0.00 -1.51 0.00 0.00 37.83 32.89 3knj s LYS 108 CO 0.43 -0.07 0.00 -0.25 -0.36 0.00 0.00 175.35 175.09 3knj n ASP 109 N 0.55 0.00 -4.67 1.43 10.43 -1.26 -4.94 116.55 118.09 3knj n ASP 109 Ca 0.02 0.00 -0.38 0.00 2.57 0.00 0.00 54.79 57.00 3knj n ASP 109 Cb 0.46 -1.38 0.05 0.00 1.84 0.00 0.00 41.12 42.09 3knj n ASP 109 CO 0.00 0.00 0.00 -1.14 -1.07 0.00 0.00 177.20 174.99 3knj n ARG 110 N -2.00 1.19 0.00 -1.24 3.00 -1.22 -4.91 116.66 111.48 3knj n ARG 110 Ca 0.00 0.45 0.00 0.00 -0.00 0.00 0.00 57.85 58.30 3knj n ARG 110 Cb 0.00 -2.32 0.00 0.00 0.00 0.00 0.00 32.46 30.14 3knj n ARG 110 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 3knj n LYS 111 N -1.04 0.00 0.00 -0.14 5.02 -1.26 -4.97 118.16 115.77 3knj n LYS 111 Ca 0.13 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.42 3knj n LYS 111 Cb 0.46 -0.75 0.00 0.00 -0.02 0.00 0.00 35.03 34.71 3knj n LYS 111 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3knj n LYS 112 N -2.06 0.00 -0.46 1.97 5.02 -1.26 -4.43 118.16 116.94 3knj n LYS 112 Ca 0.00 0.00 -0.36 0.00 -2.02 0.00 0.00 58.31 55.93 3knj n LYS 112 Cb 0.27 0.00 -0.10 0.00 -0.02 0.00 0.00 35.03 35.18 3knj n LYS 112 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 3knj n SER 113 N 0.00 0.75 0.00 4.39 7.64 -1.26 -4.61 113.62 120.53 3knj n SER 113 Ca 0.00 -2.30 0.08 0.00 1.01 0.00 0.00 58.87 57.66 3knj n SER 113 Cb 0.00 -0.47 0.48 0.00 -1.01 0.00 0.00 64.21 63.21 3knj n SER 113 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 3knj n ARG 114 N 7.30 0.55 0.42 1.43 1.74 -1.26 -2.54 116.66 124.30 3knj n ARG 114 Ca 0.38 0.00 -0.18 0.00 -0.77 0.00 0.00 57.85 57.28 3knj n ARG 114 Cb 0.35 -1.46 -0.09 0.00 -1.02 0.00 0.00 32.46 30.24 3knj n ARG 114 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 3knj h SER 115 N 0.00 -0.89 -4.25 0.55 0.87 -1.88 -2.79 113.55 105.16 3knj h SER 115 Ca 0.00 0.02 -0.50 0.00 -1.23 0.00 0.00 61.79 60.07 3knj h SER 115 Cb 0.00 0.23 0.09 0.00 -0.44 0.00 0.00 62.40 62.28 3knj h SER 115 CO 0.00 -0.59 0.37 -0.54 -0.53 0.00 0.00 176.83 175.54 3knj s LYS 116 N -5.66 3.00 0.00 2.24 1.02 -1.05 -2.87 119.74 116.41 3knj s LYS 116 Ca -0.18 1.17 0.00 0.00 0.02 0.00 0.00 55.97 56.99 3knj s LYS 116 Cb 0.02 -1.99 0.00 0.00 -0.52 0.00 0.00 37.83 35.34 3knj s LYS 116 CO 0.57 -1.07 0.00 0.66 -0.92 0.00 0.00 175.35 174.59 3knj n TYR 117 N -2.56 0.00 -2.66 3.18 4.02 -1.26 -4.63 117.16 113.25 3knj n TYR 117 Ca 0.09 0.00 -0.02 0.00 -0.01 0.00 0.00 57.90 57.95 3knj n TYR 117 Cb 0.53 -0.02 -0.02 0.00 -0.02 0.00 0.00 39.34 39.81 3knj n TYR 117 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3knj n GLY 118 N -0.84 -4.74 3.18 2.72 0.00 -1.06 -2.27 105.19 102.17 3knj n GLY 118 Ca 0.00 1.03 -0.13 0.00 0.00 0.00 0.00 46.02 46.93 3knj n GLY 118 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3knj s THR 119 N -1.23 0.03 -0.18 2.61 2.01 -1.14 -3.22 115.64 114.53 3knj s THR 119 Ca -0.12 -0.22 -0.23 0.00 0.31 0.00 0.00 61.69 61.43 3knj s THR 119 Cb 0.01 -0.46 -0.02 0.00 0.01 0.00 0.00 72.50 72.04 3knj s THR 119 CO 0.79 -0.12 0.72 -0.54 -0.69 0.00 0.00 174.62 174.78 3knj s LYS 120 N -0.45 4.27 -0.11 4.92 -0.14 -1.26 -4.84 119.74 122.13 3knj s LYS 120 Ca -0.06 0.80 -0.41 0.00 -1.36 0.00 0.00 55.97 54.95 3knj s LYS 120 Cb -0.04 -3.57 -0.20 0.00 -1.68 0.00 0.00 37.83 32.35 3knj s LYS 120 CO 0.02 -0.25 1.23 1.17 -0.76 0.00 0.00 175.35 176.75 3knj n LYS 121 N 5.02 0.14 -1.58 1.68 3.00 -1.26 -4.83 118.16 120.33 3knj n LYS 121 Ca 0.01 0.05 -0.33 0.00 -0.00 0.00 0.00 58.31 58.04 3knj n LYS 121 Cb 0.49 -1.57 0.07 0.00 0.00 0.00 0.00 35.03 34.02 3knj n LYS 121 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.40 176.15 3knj s PRO 122 N 0.79 2.49 0.66 1.64 0.04 -1.26 -4.98 135.00 134.38 3knj s PRO 122 Ca 0.94 1.47 -0.15 0.00 0.04 0.00 0.00 61.00 63.29 3knj s PRO 122 Cb -1.28 -1.91 0.00 0.00 0.04 0.00 0.00 34.50 31.35 3knj s PRO 122 CO 0.62 -1.50 1.12 0.21 0.04 0.00 0.00 177.00 177.48 3knj s LYS 123 N -4.16 2.74 0.00 4.56 2.47 -1.26 -4.75 119.74 119.34 3knj s LYS 123 Ca 0.68 1.43 0.00 0.00 -1.56 0.00 0.00 55.97 56.52 3knj s LYS 123 Cb -0.22 -1.94 0.00 0.00 -1.46 0.00 0.00 37.83 34.21 3knj s LYS 123 CO 0.45 -1.31 0.07 0.39 0.16 0.00 0.00 175.35 175.11 3knj n GLU 124 N -2.43 0.09 -3.54 4.03 -0.58 -1.26 -4.56 120.64 112.40 3knj n GLU 124 Ca 0.11 0.00 -0.19 0.00 -0.42 0.00 0.00 57.16 56.66 3knj n GLU 124 Cb 0.52 -1.26 0.07 0.00 -0.57 0.00 0.00 31.44 30.19 3knj n GLU 124 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3knj n ALA 125 N 0.72 -2.02 0.00 0.62 0.00 -1.26 -5.36 120.51 113.21 3knj n ALA 125 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.34 3knj n ALA 125 Cb 0.03 -2.23 0.00 0.00 0.00 0.00 0.00 19.45 17.25 3knj n ALA 125 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50