#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kn3 s GLU 3 N 0.00 0.09 -0.10 0.00 2.12 -1.26 0.12 118.70 119.67 3kn3 s GLU 3 Ca 0.00 0.07 0.03 0.00 0.36 0.00 0.00 54.97 55.43 3kn3 s GLU 3 Cb 0.00 0.04 0.01 0.00 0.26 0.00 0.00 34.13 34.44 3kn3 s GLU 3 CO 0.00 -0.01 -0.20 -1.17 -0.54 0.00 0.00 175.26 173.34 3kn3 s LEU 4 N -0.02 1.96 0.45 2.70 2.96 -0.25 -4.91 118.68 121.57 3kn3 s LEU 4 Ca -0.01 -0.49 0.08 0.00 -0.22 0.00 0.00 54.13 53.49 3kn3 s LEU 4 Cb -0.01 -1.25 0.01 0.00 0.50 0.00 0.00 46.19 45.45 3kn3 s LEU 4 CO 0.00 0.11 0.53 -0.13 -1.32 0.00 0.00 176.35 175.54 3kn3 s ARG 5 N 0.51 2.60 -0.01 1.98 3.00 -1.26 -1.24 118.95 124.53 3kn3 s ARG 5 Ca -0.16 -1.46 0.00 0.00 0.00 0.00 0.00 55.73 54.11 3kn3 s ARG 5 Cb -0.17 -2.56 0.01 0.00 0.00 0.00 0.00 34.95 32.23 3kn3 s ARG 5 CO 0.06 -0.37 -0.01 0.00 0.00 0.00 0.00 175.30 174.99 3kn3 s ALA 7 N -2.47 0.18 0.00 2.13 0.00 0.00 -0.39 121.76 121.21 3kn3 s ALA 7 Ca 0.52 0.04 0.00 0.00 0.00 0.00 0.00 51.96 52.52 3kn3 s ALA 7 Cb -0.06 -0.14 0.00 0.00 0.00 0.00 0.00 23.12 22.92 3kn3 s ALA 7 CO 0.31 -0.01 0.00 -2.37 0.00 0.00 0.00 175.76 173.69 3kn3 n THR 8 N 3.47 0.00 -4.27 0.00 5.66 -0.72 -0.54 114.28 117.88 3kn3 n THR 8 Ca -0.18 0.00 -0.26 0.00 -3.05 0.00 0.00 64.05 60.56 3kn3 n THR 8 Cb 0.56 0.00 -0.08 0.00 -1.55 0.00 0.00 70.33 69.25 3kn3 n THR 8 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 3kn3 s THR 9 N -2.16 3.38 0.17 1.09 -4.23 -1.25 -1.01 115.64 111.63 3kn3 s THR 9 Ca 0.00 -1.64 -0.17 0.00 -1.18 0.00 0.00 61.69 58.70 3kn3 s THR 9 Cb 0.00 -2.71 0.09 0.00 1.34 0.00 0.00 72.50 71.22 3kn3 s THR 9 CO 0.00 -0.16 1.67 0.74 -0.54 0.00 0.00 174.62 176.33 3kn3 h THR 10 N 2.52 0.61 -0.50 3.99 2.02 -1.47 0.63 112.91 120.71 3kn3 h THR 10 Ca -0.46 -0.00 0.10 0.00 0.77 0.00 0.00 66.41 66.81 3kn3 h THR 10 Cb 1.21 0.60 -0.09 0.00 -1.74 0.00 0.00 68.15 68.13 3kn3 h THR 10 CO 0.56 0.00 -0.08 0.28 0.37 0.00 0.00 175.52 176.66 3kn3 h SER 11 N 0.01 -0.37 -0.04 4.18 0.02 -1.94 0.18 113.55 115.59 3kn3 h SER 11 Ca 0.19 0.14 -0.00 0.00 -0.84 0.00 0.00 61.79 61.28 3kn3 h SER 11 Cb 0.29 0.27 -0.00 0.00 0.14 0.00 0.00 62.40 63.10 3kn3 h SER 11 CO -0.40 -0.13 0.02 0.74 -1.14 0.00 0.00 176.83 175.91 3kn3 h THR 12 N 0.04 1.10 -0.59 -2.27 2.02 -1.76 -2.95 112.91 108.50 3kn3 h THR 12 Ca 0.25 -0.28 0.04 0.00 0.77 0.00 0.00 66.41 67.18 3kn3 h THR 12 Cb 0.38 1.22 -0.04 0.00 -1.74 0.00 0.00 68.15 67.96 3kn3 h THR 12 CO -0.48 0.08 0.34 -0.78 0.37 0.00 0.00 175.52 175.05 3kn3 h ASP 13 N -0.05 0.54 -0.79 4.18 3.58 -0.37 -2.06 116.42 121.44 3kn3 h ASP 13 Ca 0.01 0.01 0.23 0.00 0.42 0.00 0.00 57.03 57.70 3kn3 h ASP 13 Cb 0.11 -0.10 -0.03 0.00 1.72 0.00 0.00 39.33 41.03 3kn3 h ASP 13 CO -0.00 0.37 0.65 0.78 -2.88 0.00 0.00 179.24 178.16 3kn3 h ASN 14 N 0.66 0.00 0.51 2.28 2.35 -0.48 -0.51 115.58 120.40 3kn3 h ASN 14 Ca 0.24 0.00 -0.10 0.00 -0.55 0.00 0.00 56.30 55.90 3kn3 h ASN 14 Cb 0.07 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.43 3kn3 h ASN 14 CO -0.12 0.00 -0.47 0.71 -1.65 0.00 0.00 177.43 175.90 3kn3 h THR 15 N 0.00 1.30 0.00 2.81 1.35 -1.28 -3.32 112.91 113.77 3kn3 h THR 15 Ca 0.37 -1.63 0.00 0.00 -0.55 0.00 0.00 66.41 64.60 3kn3 h THR 15 Cb 1.67 1.89 0.00 0.00 -1.73 0.00 0.00 68.15 69.98 3kn3 h THR 15 CO -0.00 0.46 0.00 0.61 -0.25 0.00 0.00 175.52 176.34 3kn3 n GLY 16 N -0.12 0.79 0.31 5.82 0.00 -0.20 -4.92 105.19 106.88 3kn3 n GLY 16 Ca -0.01 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.03 3kn3 n GLY 16 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3kn3 h LEU 17 N 0.00 0.75 -1.40 0.99 5.85 -1.81 -2.39 115.31 117.30 3kn3 h LEU 17 Ca 0.00 0.03 -0.03 0.00 0.84 0.00 0.00 57.88 58.72 3kn3 h LEU 17 Cb 0.00 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 40.90 3kn3 h LEU 17 CO 0.00 0.45 0.07 -0.07 -0.34 0.00 0.00 178.44 178.55 3kn3 h LEU 18 N 0.87 0.43 -0.82 2.25 3.38 -1.88 0.10 115.31 119.64 3kn3 h LEU 18 Ca 0.39 -0.05 -0.02 0.00 0.09 0.00 0.00 57.88 58.28 3kn3 h LEU 18 Cb 0.28 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 40.92 3kn3 h LEU 18 CO -0.21 0.44 -0.09 0.44 0.09 0.00 0.00 178.44 179.11 3kn3 h ASP 19 N 0.46 0.00 0.04 -0.43 5.19 -1.80 0.31 116.42 120.20 3kn3 h ASP 19 Ca 0.11 0.00 -0.08 0.00 -0.62 0.00 0.00 57.03 56.44 3kn3 h ASP 19 Cb 0.19 0.00 0.01 0.00 0.18 0.00 0.00 39.33 39.71 3kn3 h ASP 19 CO -0.00 0.09 -0.34 0.58 -3.12 0.00 0.00 179.24 176.44 3kn3 h VAL 20 N 0.00 1.62 -0.31 -1.35 2.07 -1.17 -3.40 116.25 113.72 3kn3 h VAL 20 Ca -0.00 -2.25 0.00 0.00 0.82 0.00 0.00 66.70 65.27 3kn3 h VAL 20 Cb 0.78 3.10 -0.02 0.00 -1.52 0.00 0.00 31.29 33.63 3kn3 h VAL 20 CO 0.01 0.61 0.20 -0.07 0.02 0.00 0.00 177.57 178.35 3kn3 h LEU 21 N -0.62 0.35 -0.47 2.57 4.07 -0.74 -3.23 115.31 117.26 3kn3 h LEU 21 Ca -0.05 -0.01 0.01 0.00 0.08 0.00 0.00 57.88 57.90 3kn3 h LEU 21 Cb 1.20 -0.09 -0.02 0.00 1.08 0.00 0.00 40.66 42.82 3kn3 h LEU 21 CO 0.06 0.26 0.31 0.00 -1.08 0.00 0.00 178.44 177.99 3kn3 h ALA 22 N 1.11 0.59 -0.53 1.53 0.00 -1.15 -0.30 119.26 120.52 3kn3 h ALA 22 Ca 0.11 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.87 3kn3 h ALA 22 Cb -0.05 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 3kn3 h ALA 22 CO -0.02 0.04 -0.15 -1.35 0.00 0.00 0.00 179.25 177.77 3kn3 h PRO 23 N 0.63 1.03 -0.43 0.00 0.11 -1.76 -1.29 132.00 130.29 3kn3 h PRO 23 Ca 0.17 -0.40 -0.00 0.00 0.11 0.00 0.00 66.00 65.87 3kn3 h PRO 23 Cb -0.07 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 30.96 3kn3 h PRO 23 CO -0.04 1.09 0.26 0.00 -0.21 0.00 0.00 178.00 179.10 3kn3 h ALA 24 N 0.91 0.55 -0.31 -0.75 0.00 -1.50 0.18 119.26 118.34 3kn3 h ALA 24 Ca 0.13 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 3kn3 h ALA 24 Cb 0.72 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 3kn3 h ALA 24 CO 0.06 0.05 0.19 -0.92 0.00 0.00 0.00 179.25 178.63 3kn3 h TYR 25 N 0.57 0.40 -0.86 0.00 3.20 -0.92 0.16 116.97 119.52 3kn3 h TYR 25 Ca 0.15 0.00 0.08 0.00 3.14 0.00 0.00 58.73 62.11 3kn3 h TYR 25 Cb 0.01 -0.13 -0.07 0.00 1.54 0.00 0.00 36.73 38.08 3kn3 h TYR 25 CO -0.03 0.28 0.52 -0.22 -1.64 0.00 0.00 178.16 177.07 3kn3 h LYS 26 N 0.40 0.87 0.36 1.82 1.63 -0.82 0.12 116.57 120.95 3kn3 h LYS 26 Ca 0.11 -0.05 -0.01 0.00 -0.85 0.00 0.00 60.65 59.85 3kn3 h LYS 26 Cb -0.01 -0.20 -0.01 0.00 -0.60 0.00 0.00 32.23 31.42 3kn3 h LYS 26 CO -0.02 0.58 -0.25 0.87 -3.45 0.00 0.00 179.45 177.17 3kn3 h LYS 27 N 0.90 -0.56 -0.65 1.90 1.57 0.38 0.66 116.57 120.77 3kn3 h LYS 27 Ca 0.40 0.04 0.06 0.00 -1.87 0.00 0.00 60.65 59.28 3kn3 h LYS 27 Cb 0.28 0.13 -0.06 0.00 0.08 0.00 0.00 32.23 32.66 3kn3 h LYS 27 CO -0.21 -0.37 0.35 -0.44 -0.57 0.00 0.00 179.45 178.20 3kn3 h ASP 28 N -0.58 0.50 0.00 0.86 3.45 -0.80 -3.35 116.42 116.50 3kn3 h ASP 28 Ca -0.05 0.04 0.00 0.00 0.43 0.00 0.00 57.03 57.45 3kn3 h ASP 28 Cb 0.48 -0.06 0.00 0.00 -0.56 0.00 0.00 39.33 39.19 3kn3 h ASP 28 CO 0.02 0.32 -0.57 0.35 -1.57 0.00 0.00 179.24 177.80 3kn3 n THR 29 N -4.82 0.00 -1.07 0.35 -2.24 0.39 -5.01 114.28 101.89 3kn3 n THR 29 Ca 0.08 -0.24 -0.02 0.00 -2.27 0.00 0.00 64.05 61.60 3kn3 n THR 29 Cb 0.18 0.73 -0.01 0.00 -2.10 0.00 0.00 70.33 69.13 3kn3 n THR 29 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3kn3 n GLY 30 N 1.77 0.53 3.86 3.38 0.00 0.23 -5.00 105.19 109.96 3kn3 n GLY 30 Ca -0.00 -0.23 -0.37 0.00 0.00 0.00 0.00 46.02 45.42 3kn3 n GLY 30 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kn3 s VAL 31 N -1.85 5.17 -0.33 1.61 1.01 -1.26 -4.91 120.40 119.84 3kn3 s VAL 31 Ca 0.00 0.58 -0.18 0.00 0.00 0.00 0.00 61.98 62.37 3kn3 s VAL 31 Cb 0.00 -3.62 -0.01 0.00 0.00 0.00 0.00 36.38 32.75 3kn3 s VAL 31 CO 0.00 0.52 0.53 -1.81 0.00 0.00 0.00 175.10 174.34 3kn3 s ASP 32 N -1.24 6.35 -0.26 3.32 1.01 0.12 -3.52 116.67 122.45 3kn3 s ASP 32 Ca 0.24 0.11 -0.29 0.00 0.71 0.00 0.00 52.55 53.31 3kn3 s ASP 32 Cb -0.15 -2.28 0.01 0.00 1.01 0.00 0.00 42.92 41.51 3kn3 s ASP 32 CO 0.12 -0.46 1.07 -0.22 0.21 0.00 0.00 175.17 175.90 3kn3 s LEU 33 N 2.42 4.04 -0.09 1.23 2.96 -1.26 -1.09 118.68 126.88 3kn3 s LEU 33 Ca 0.20 1.27 0.03 0.00 -0.22 0.00 0.00 54.13 55.42 3kn3 s LEU 33 Cb -0.15 -3.54 -0.01 0.00 0.50 0.00 0.00 46.19 42.99 3kn3 s LEU 33 CO 0.13 -0.76 -0.21 -0.54 -1.32 0.00 0.00 176.35 173.65 3kn3 s LYS 34 N 3.41 2.97 0.13 1.98 -0.14 -0.37 -4.96 119.74 122.75 3kn3 s LYS 34 Ca 0.45 -0.82 0.03 0.00 -1.36 0.00 0.00 55.97 54.27 3kn3 s LYS 34 Cb -0.14 -2.36 -0.04 0.00 -1.68 0.00 0.00 37.83 33.60 3kn3 s LYS 34 CO 0.10 0.28 -0.07 1.67 -0.76 0.00 0.00 175.35 176.57 3kn3 s TRP 35 N 0.12 1.10 -0.09 3.18 -2.14 -1.26 -4.29 118.94 115.57 3kn3 s TRP 35 Ca -0.10 -0.86 0.02 0.00 2.66 0.00 0.00 56.10 57.82 3kn3 s TRP 35 Cb -0.16 -0.59 0.02 0.00 -3.10 0.00 0.00 33.47 29.63 3kn3 s TRP 35 CO 0.06 -0.05 -0.12 0.08 -2.66 0.00 0.00 176.95 174.26 3kn3 s VAL 36 N -3.49 1.23 -0.37 -0.66 1.01 -1.26 -5.04 120.40 111.82 3kn3 s VAL 36 Ca 0.15 -0.49 -0.16 0.00 0.00 0.00 0.00 61.98 61.47 3kn3 s VAL 36 Cb 0.04 -1.14 -0.00 0.00 0.00 0.00 0.00 36.38 35.28 3kn3 s VAL 36 CO -0.01 0.38 0.42 0.00 0.00 0.00 0.00 175.10 175.89 3kn3 s ALA 37 N 0.96 3.47 0.00 5.51 0.00 -1.26 -1.76 121.76 128.68 3kn3 s ALA 37 Ca -0.09 -1.25 0.00 0.00 0.00 0.00 0.00 51.96 50.63 3kn3 s ALA 37 Cb -0.15 -2.93 0.00 0.00 0.00 0.00 0.00 23.12 20.04 3kn3 s ALA 37 CO -0.00 -1.26 0.00 1.33 0.00 0.00 0.00 175.76 175.83 3kn3 n VAL 38 N 5.35 0.00 -2.00 0.00 0.24 -0.18 -4.38 118.33 117.36 3kn3 n VAL 38 Ca -0.08 0.00 -0.31 0.00 -2.04 0.00 0.00 64.34 61.91 3kn3 n VAL 38 Cb 0.49 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.86 3kn3 n VAL 38 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 3kn3 s GLY 39 N 0.00 1.83 0.16 7.63 0.00 -1.26 -1.52 107.32 114.15 3kn3 s GLY 39 Ca 0.00 0.06 -0.16 0.00 0.00 0.00 0.00 44.72 44.62 3kn3 s GLY 39 CO 0.00 0.34 1.74 -0.84 0.00 0.00 0.00 173.10 174.34 3kn3 h THR 40 N 0.06 0.86 -0.32 0.90 2.02 -2.00 0.17 112.91 114.61 3kn3 h THR 40 Ca -0.45 -0.08 0.06 0.00 0.77 0.00 0.00 66.41 66.71 3kn3 h THR 40 Cb 1.19 0.60 -0.06 0.00 -1.74 0.00 0.00 68.15 68.14 3kn3 h THR 40 CO 0.61 0.04 -0.07 1.23 0.37 0.00 0.00 175.52 177.70 3kn3 h GLY 41 N 0.24 0.24 1.51 2.16 0.00 -1.99 -1.29 103.07 103.94 3kn3 h GLY 41 Ca 0.17 0.10 -0.08 0.00 0.00 0.00 0.00 47.33 47.51 3kn3 h GLY 41 CO -0.20 -0.12 -0.15 3.43 0.00 0.00 0.00 176.54 179.50 3kn3 h ASN 42 N 0.01 0.57 0.06 0.19 2.35 -1.81 0.16 115.58 117.12 3kn3 h ASN 42 Ca 0.15 -0.17 -0.00 0.00 -0.55 0.00 0.00 56.30 55.73 3kn3 h ASN 42 Cb 0.23 -0.15 0.00 0.00 0.05 0.00 0.00 38.32 38.45 3kn3 h ASN 42 CO -0.32 0.74 -0.03 0.00 -1.65 0.00 0.00 177.43 176.17 3kn3 h ALA 43 N 1.31 -0.09 -0.74 -0.83 0.00 -0.52 0.48 119.26 118.88 3kn3 h ALA 43 Ca 0.09 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 54.95 3kn3 h ALA 43 Cb 0.57 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.35 3kn3 h ALA 43 CO 0.04 -0.51 0.49 -0.07 0.00 0.00 0.00 179.25 179.19 3kn3 h LEU 44 N -0.16 0.84 -0.97 0.00 3.38 -0.95 -2.35 115.31 115.10 3kn3 h LEU 44 Ca -0.01 -0.02 0.01 0.00 0.09 0.00 0.00 57.88 57.95 3kn3 h LEU 44 Cb 0.14 -0.21 -0.05 0.00 0.09 0.00 0.00 40.66 40.63 3kn3 h LEU 44 CO 0.01 0.61 0.63 0.50 0.09 0.00 0.00 178.44 180.28 3kn3 h LYS 45 N 0.99 1.29 -0.35 1.13 3.64 0.05 0.99 116.57 124.32 3kn3 h LYS 45 Ca 0.27 -0.09 0.03 0.00 -1.27 0.00 0.00 60.65 59.60 3kn3 h LYS 45 Cb -0.10 -0.29 -0.03 0.00 -0.41 0.00 0.00 32.23 31.40 3kn3 h LYS 45 CO -0.06 0.87 0.14 -0.07 -2.27 0.00 0.00 179.45 178.06 3kn3 h LEU 46 N 1.32 0.19 -1.32 5.20 3.38 0.45 -0.68 115.31 123.85 3kn3 h LEU 46 Ca 0.35 0.03 -0.06 0.00 0.09 0.00 0.00 57.88 58.29 3kn3 h LEU 46 Cb -0.13 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 3kn3 h LEU 46 CO -0.07 0.15 -0.15 1.23 0.09 0.00 0.00 178.44 179.68 3kn3 h GLY 47 N 0.31 0.29 2.00 0.83 0.00 -1.05 -1.49 103.07 103.96 3kn3 h GLY 47 Ca 0.15 -0.19 -0.07 0.00 0.00 0.00 0.00 47.33 47.23 3kn3 h GLY 47 CO -0.13 0.18 -0.32 -2.09 0.00 0.00 0.00 176.54 174.18 3kn3 h GLU 48 N 0.26 0.00 -0.61 4.80 4.81 0.12 -2.77 114.58 121.19 3kn3 h GLU 48 Ca 0.05 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.28 3kn3 h GLU 48 Cb 0.43 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.81 3kn3 h GLU 48 CO 0.03 0.32 0.00 0.09 -0.73 0.00 0.00 179.01 178.71 3kn3 n ASN 49 N -4.04 3.51 -2.51 1.04 5.03 -0.35 -4.93 115.26 113.00 3kn3 n ASN 49 Ca -0.02 -2.13 -0.21 0.00 0.87 0.00 0.00 54.58 53.08 3kn3 n ASN 49 Cb 0.37 -0.45 -0.00 0.00 -1.02 0.00 0.00 39.78 38.68 3kn3 n ASN 49 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3kn3 n ASP 51 N -2.11 0.70 -3.95 0.00 8.00 -0.60 -4.84 116.55 113.75 3kn3 n ASP 51 Ca -0.22 0.07 -0.21 0.00 0.71 0.00 0.00 54.79 55.14 3kn3 n ASP 51 Cb 0.68 0.41 -0.09 0.00 -0.02 0.00 0.00 41.12 42.10 3kn3 n ASP 51 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 3kn3 s VAL 52 N -3.22 0.38 -0.20 2.53 -7.23 -1.25 -5.00 120.40 106.41 3kn3 s VAL 52 Ca 0.04 -2.00 0.11 0.00 -1.81 0.00 0.00 61.98 58.32 3kn3 s VAL 52 Cb 0.13 -2.48 -0.22 0.00 0.56 0.00 0.00 36.38 34.37 3kn3 s VAL 52 CO 0.76 0.00 0.03 0.47 -0.31 0.00 0.00 175.10 176.05 3kn3 n ASP 53 N -1.11 0.82 -3.99 4.85 8.00 0.47 -4.77 116.55 120.82 3kn3 n ASP 53 Ca -0.00 -0.00 -0.10 0.00 0.71 0.00 0.00 54.79 55.40 3kn3 n ASP 53 Cb 0.65 0.37 -0.11 0.00 -0.02 0.00 0.00 41.12 42.00 3kn3 n ASP 53 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 3kn3 s VAL 54 N -2.51 0.18 -0.10 2.53 -7.23 -0.67 -1.22 120.40 111.37 3kn3 s VAL 54 Ca -0.18 -0.95 0.04 0.00 -1.81 0.00 0.00 61.98 59.07 3kn3 s VAL 54 Cb 0.07 -0.33 0.00 0.00 0.56 0.00 0.00 36.38 36.68 3kn3 s VAL 54 CO 0.75 -0.49 -0.23 -0.69 -0.31 0.00 0.00 175.10 174.14 3kn3 s VAL 55 N -1.49 1.97 -0.23 1.32 1.01 -1.26 -0.82 120.40 120.90 3kn3 s VAL 55 Ca -0.15 -0.96 -0.01 0.00 0.00 0.00 0.00 61.98 60.86 3kn3 s VAL 55 Cb -0.10 -1.71 0.07 0.00 0.00 0.00 0.00 36.38 34.64 3kn3 s VAL 55 CO -0.01 0.54 0.03 0.12 0.00 0.00 0.00 175.10 175.78 3kn3 s PHE 56 N 0.42 1.56 0.33 5.22 5.36 0.30 -4.33 117.98 126.85 3kn3 s PHE 56 Ca -0.17 -1.32 0.03 0.00 -0.96 0.00 0.00 56.93 54.50 3kn3 s PHE 56 Cb -0.18 -1.35 -0.01 0.00 -0.34 0.00 0.00 43.02 41.14 3kn3 s PHE 56 CO 0.07 -0.72 0.37 1.33 -1.46 0.00 0.00 175.22 174.81 3kn3 n VAL 57 N 4.90 0.00 -3.19 3.12 0.24 -0.76 -3.75 118.33 118.89 3kn3 n VAL 57 Ca -0.08 -2.00 -0.22 0.00 -2.04 0.00 0.00 64.34 60.00 3kn3 n VAL 57 Cb 0.45 1.10 -0.05 0.00 -1.47 0.00 0.00 33.84 33.87 3kn3 n VAL 57 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3kn3 n HIS 58 N -0.58 0.24 -3.05 6.34 1.44 -1.26 -0.97 115.22 117.39 3kn3 n HIS 58 Ca 0.04 -3.71 -0.16 0.00 -2.01 0.00 0.00 57.72 51.88 3kn3 n HIS 58 Cb 0.57 -0.39 -0.04 0.00 0.12 0.00 0.00 29.99 30.25 3kn3 n HIS 58 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 3kn3 n ALA 59 N 0.89 0.52 -0.12 1.59 0.00 -1.26 -4.74 120.51 117.39 3kn3 n ALA 59 Ca 0.23 -2.17 0.06 0.00 0.00 0.00 0.00 53.44 51.57 3kn3 n ALA 59 Cb 0.57 -1.11 0.39 0.00 0.00 0.00 0.00 19.45 19.30 3kn3 n ALA 59 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 3kn3 h PRO 60 N 4.96 0.65 -0.00 0.00 0.11 -1.93 -0.59 132.00 135.19 3kn3 h PRO 60 Ca 0.11 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 66.18 3kn3 h PRO 60 Cb 0.99 -0.15 -0.00 0.00 0.11 0.00 0.00 31.00 31.96 3kn3 h PRO 60 CO 0.25 0.43 0.00 -0.22 -0.21 0.00 0.00 178.00 178.25 3kn3 h LYS 61 N 0.67 0.01 -0.58 1.05 3.64 -1.99 -1.08 116.57 118.28 3kn3 h LYS 61 Ca 0.26 -0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.58 3kn3 h LYS 61 Cb 0.20 -0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 31.99 3kn3 h LYS 61 CO -0.08 0.14 0.10 0.28 -2.27 0.00 0.00 179.45 177.63 3kn3 h VAL 62 N -0.13 1.25 0.00 2.00 2.07 -1.79 -1.87 116.25 117.77 3kn3 h VAL 62 Ca 0.00 -0.94 -0.06 0.00 0.82 0.00 0.00 66.70 66.52 3kn3 h VAL 62 Cb 0.14 0.69 -0.01 0.00 -1.52 0.00 0.00 31.29 30.59 3kn3 h VAL 62 CO -0.00 0.35 -0.29 -0.33 0.02 0.00 0.00 177.57 177.32 3kn3 h GLU 63 N 0.88 0.00 -0.08 1.57 5.08 -0.97 -2.24 114.58 118.83 3kn3 h GLU 63 Ca 0.18 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.46 3kn3 h GLU 63 Cb 0.38 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.63 3kn3 h GLU 63 CO 0.01 0.29 -0.27 -0.07 -1.00 0.00 0.00 179.01 177.96 3kn3 h LEU 64 N 0.00 0.37 -0.55 1.33 4.07 -0.40 -1.35 115.31 118.79 3kn3 h LEU 64 Ca -0.00 -0.62 0.11 0.00 0.08 0.00 0.00 57.88 57.45 3kn3 h LEU 64 Cb 0.53 -0.11 -0.10 0.00 1.08 0.00 0.00 40.66 42.06 3kn3 h LEU 64 CO 0.04 0.93 -0.08 -0.33 -1.08 0.00 0.00 178.44 177.91 3kn3 h GLU 65 N -0.16 0.04 -0.75 1.13 4.39 -1.37 -1.53 114.58 116.34 3kn3 h GLU 65 Ca -0.01 -0.00 0.05 0.00 0.34 0.00 0.00 59.36 59.74 3kn3 h GLU 65 Cb 0.90 -0.01 -0.05 0.00 -0.10 0.00 0.00 28.75 29.48 3kn3 h GLU 65 CO 0.06 0.03 0.45 -0.92 -1.16 0.00 0.00 179.01 177.46 3kn3 h TYR 66 N 0.04 0.83 -0.50 4.33 3.20 -1.20 0.26 116.97 123.94 3kn3 h TYR 66 Ca 0.27 0.03 -0.03 0.00 3.14 0.00 0.00 58.73 62.14 3kn3 h TYR 66 Cb 0.42 -0.27 -0.02 0.00 1.54 0.00 0.00 36.73 38.41 3kn3 h TYR 66 CO -0.41 0.43 0.19 0.28 -1.64 0.00 0.00 178.16 177.01 3kn3 h VAL 67 N 0.84 1.22 -0.84 1.81 2.07 -0.95 -2.45 116.25 117.94 3kn3 h VAL 67 Ca 0.32 -0.68 -0.02 0.00 0.82 0.00 0.00 66.70 67.14 3kn3 h VAL 67 Cb 0.13 0.73 -0.04 0.00 -1.52 0.00 0.00 31.29 30.59 3kn3 h VAL 67 CO -0.16 0.25 0.43 -0.08 0.02 0.00 0.00 177.57 178.04 3kn3 h GLU 68 N 0.67 1.20 0.00 1.57 4.22 0.09 0.40 114.58 122.72 3kn3 h GLU 68 Ca 0.17 -0.16 0.00 0.00 0.08 0.00 0.00 59.36 59.45 3kn3 h GLU 68 Cb 0.21 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 29.24 3kn3 h GLU 68 CO -0.01 0.90 0.00 1.63 -2.18 0.00 0.00 179.01 179.35 3kn3 n LYS 69 N -4.34 0.81 -0.99 1.92 5.02 0.71 -4.86 118.16 116.43 3kn3 n LYS 69 Ca 0.08 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.37 3kn3 n LYS 69 Cb 0.12 -1.31 0.00 0.00 -0.02 0.00 0.00 35.03 33.82 3kn3 n LYS 69 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3kn3 n GLY 70 N 0.50 0.85 0.26 0.72 0.00 0.13 -4.92 105.19 102.74 3kn3 n GLY 70 Ca 0.12 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.03 3kn3 n GLY 70 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 3kn3 h PHE 71 N 0.00 1.00 -3.34 1.61 0.04 -1.64 -3.43 116.94 111.19 3kn3 h PHE 71 Ca 0.00 -0.23 -0.53 0.00 2.80 0.00 0.00 57.97 60.01 3kn3 h PHE 71 Cb 0.00 -0.24 -0.18 0.00 2.20 0.00 0.00 35.95 37.74 3kn3 h PHE 71 CO 0.00 1.00 -0.79 0.20 -0.60 0.00 0.00 178.31 178.13 3kn3 s GLY 72 N -3.60 1.40 0.31 -1.45 0.00 -1.23 -1.73 107.32 101.02 3kn3 s GLY 72 Ca -0.12 -1.48 0.04 0.00 0.00 0.00 0.00 44.72 43.16 3kn3 s GLY 72 CO 0.84 -1.53 0.20 -0.26 0.00 0.00 0.00 173.10 172.36 3kn3 s ILE 73 N -1.97 0.16 -1.53 0.90 -4.36 0.07 -4.42 121.20 110.04 3kn3 s ILE 73 Ca 0.15 -2.00 -0.04 0.00 -0.26 0.00 0.00 60.65 58.50 3kn3 s ILE 73 Cb -0.06 -2.49 0.01 0.00 1.25 0.00 0.00 42.46 41.18 3kn3 s ILE 73 CO 0.07 0.00 0.40 0.47 0.24 0.00 0.00 174.94 176.12 3kn3 n ASP 74 N -1.13 -5.57 -4.66 4.36 10.43 -1.26 -0.65 116.55 118.07 3kn3 n ASP 74 Ca 0.03 -0.20 -0.49 0.00 2.57 0.00 0.00 54.79 56.71 3kn3 n ASP 74 Cb 0.64 -4.56 -0.05 0.00 1.84 0.00 0.00 41.12 38.99 3kn3 n ASP 74 CO 0.00 0.00 0.00 -1.14 -1.07 0.00 0.00 177.20 174.99 3kn3 n ARG 75 N -3.66 1.86 -3.65 -1.24 0.63 -1.26 -4.59 116.66 104.76 3kn3 n ARG 75 Ca -0.13 0.68 -0.18 0.00 -0.92 0.00 0.00 57.85 57.29 3kn3 n ARG 75 Cb 0.63 -2.43 -0.16 0.00 0.45 0.00 0.00 32.46 30.95 3kn3 n ARG 75 CO 0.00 0.00 0.00 0.99 -2.51 0.00 0.00 177.63 176.11 3kn3 s THR 76 N 1.66 -0.25 0.47 5.15 2.01 -0.05 -4.99 115.64 119.65 3kn3 s THR 76 Ca 0.84 0.29 -0.25 0.00 0.31 0.00 0.00 61.69 62.89 3kn3 s THR 76 Cb -0.77 -0.33 -0.08 0.00 0.01 0.00 0.00 72.50 71.33 3kn3 s THR 76 CO 0.45 0.09 1.41 -2.84 -0.69 0.00 0.00 174.62 173.04 3kn3 s PRO 77 N 2.28 3.59 -0.01 4.92 0.02 -1.26 -1.54 135.00 143.00 3kn3 s PRO 77 Ca 0.04 2.37 0.01 0.00 0.02 0.00 0.00 61.00 63.43 3kn3 s PRO 77 Cb -0.13 -2.58 -0.02 0.00 0.02 0.00 0.00 34.50 31.80 3kn3 s PRO 77 CO -0.06 -0.88 0.01 0.28 -0.33 0.00 0.00 177.00 176.02 3kn3 n VAL 78 N -0.35 0.06 -3.58 3.83 0.31 0.49 -4.88 118.33 114.20 3kn3 n VAL 78 Ca 0.06 -0.04 -0.14 0.00 -0.01 0.00 0.00 64.34 64.21 3kn3 n VAL 78 Cb 0.43 -0.55 -0.06 0.00 -0.91 0.00 0.00 33.84 32.75 3kn3 n VAL 78 CO 0.00 0.00 0.00 -0.47 -1.32 0.00 0.00 176.83 175.04 3kn3 s TYR 80 N -2.05 -0.58 0.24 3.52 6.14 -1.26 -4.99 117.35 118.37 3kn3 s TYR 80 Ca -0.01 1.18 -0.21 0.00 0.64 0.00 0.00 57.07 58.67 3kn3 s TYR 80 Cb 0.00 0.38 0.03 0.00 0.42 0.00 0.00 41.96 42.80 3kn3 s TYR 80 CO 0.05 -0.42 0.68 0.54 0.64 0.00 0.00 175.55 177.04 3kn3 s ASN 81 N -0.56 -0.35 0.26 4.32 4.22 -0.51 -5.02 114.94 117.30 3kn3 s ASN 81 Ca -0.04 -0.43 0.01 0.00 -2.14 0.00 0.00 52.86 50.26 3kn3 s ASN 81 Cb -0.02 0.69 -0.05 0.00 1.28 0.00 0.00 41.25 43.15 3kn3 s ASN 81 CO 0.03 -1.23 0.10 1.51 -2.04 0.00 0.00 177.10 175.47 3kn3 s ASP 82 N -2.87 1.12 0.36 3.54 3.84 -1.26 0.03 116.67 121.43 3kn3 s ASP 82 Ca 0.08 -1.40 0.07 0.00 -0.00 0.00 0.00 52.55 51.31 3kn3 s ASP 82 Cb -0.04 0.20 -0.07 0.00 -1.38 0.00 0.00 42.92 41.62 3kn3 s ASP 82 CO 0.01 -0.75 -0.03 -0.36 -0.00 0.00 0.00 175.17 174.04 3kn3 s PHE 83 N -3.78 2.32 -0.15 2.11 0.40 -0.44 -2.22 117.98 116.21 3kn3 s PHE 83 Ca 0.38 -0.66 -0.19 0.00 -0.60 0.00 0.00 56.93 55.86 3kn3 s PHE 83 Cb 0.08 -1.48 0.05 0.00 0.51 0.00 0.00 43.02 42.17 3kn3 s PHE 83 CO 0.14 0.41 0.50 0.08 0.70 0.00 0.00 175.22 177.05 3kn3 s VAL 84 N -2.81 0.01 -0.09 -0.44 1.01 0.27 -4.70 120.40 113.66 3kn3 s VAL 84 Ca 0.34 -0.07 -0.16 0.00 0.00 0.00 0.00 61.98 62.09 3kn3 s VAL 84 Cb 0.06 -0.73 -0.05 0.00 0.00 0.00 0.00 36.38 35.66 3kn3 s VAL 84 CO 0.16 -0.04 0.40 -0.63 0.00 0.00 0.00 175.10 175.00 3kn3 s ILE 85 N -0.13 5.17 0.20 2.22 1.01 -0.88 -0.68 121.20 128.12 3kn3 s ILE 85 Ca -0.03 0.80 0.07 0.00 0.00 0.00 0.00 60.65 61.49 3kn3 s ILE 85 Cb -0.03 -3.73 -0.05 0.00 0.01 0.00 0.00 42.46 38.66 3kn3 s ILE 85 CO 0.02 0.44 -0.13 0.27 0.00 0.00 0.00 174.94 175.54 3kn3 s ILE 86 N -0.04 1.66 0.05 2.92 -4.36 -0.11 -1.26 121.20 120.06 3kn3 s ILE 86 Ca 0.23 -2.19 -0.27 0.00 -0.26 0.00 0.00 60.65 58.16 3kn3 s ILE 86 Cb -0.15 -2.06 0.09 0.00 1.25 0.00 0.00 42.46 41.59 3kn3 s ILE 86 CO 0.10 -0.58 1.19 -0.83 0.24 0.00 0.00 174.94 175.05 3kn3 s GLY 87 N -3.31 -0.14 0.72 6.27 0.00 -0.64 -2.02 107.32 108.20 3kn3 s GLY 87 Ca 0.22 0.10 -0.14 0.00 0.00 0.00 0.00 44.72 44.90 3kn3 s GLY 87 CO 0.07 2.93 1.14 0.54 0.00 0.00 0.00 173.10 177.78 3kn3 s ASN 88 N -3.42 4.52 0.64 1.64 2.20 -1.25 -0.27 114.94 118.99 3kn3 s ASN 88 Ca 0.22 2.12 0.36 0.00 -0.94 0.00 0.00 52.86 54.63 3kn3 s ASN 88 Cb 0.00 -2.56 2.01 0.00 -2.00 0.00 0.00 41.25 38.70 3kn3 s ASN 88 CO 0.00 -2.03 2.19 -0.65 -2.94 0.00 0.00 177.10 173.67 3kn3 h PRO 89 N -0.39 0.00 0.00 3.55 0.11 -1.83 0.73 132.00 134.17 3kn3 h PRO 89 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3kn3 h PRO 89 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 3kn3 h PRO 89 CO 0.51 0.00 0.00 0.43 -0.21 0.00 0.00 178.00 178.73 3kn3 n SER 90 N -3.25 0.00 -0.00 -2.05 7.64 -1.26 -2.35 113.62 112.34 3kn3 n SER 90 Ca -0.02 0.08 0.09 0.00 1.01 0.00 0.00 58.87 60.03 3kn3 n SER 90 Cb 0.21 -0.24 -0.12 0.00 -1.01 0.00 0.00 64.21 63.05 3kn3 n SER 90 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 3kn3 n PHE 91 N -1.24 0.00 0.86 1.43 0.99 0.25 -4.74 117.46 115.00 3kn3 n PHE 91 Ca 0.05 0.00 0.07 0.00 -0.00 0.00 0.00 57.45 57.57 3kn3 n PHE 91 Cb 0.07 -0.19 0.39 0.00 -1.00 0.00 0.00 39.48 38.75 3kn3 n PHE 91 CO 0.00 0.00 0.00 0.36 -0.00 0.00 0.00 176.76 177.12 3kn3 n LYS 92 N -1.74 0.43 -0.00 -1.08 2.85 -0.99 -1.31 118.16 116.32 3kn3 n LYS 92 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.27 3kn3 n LYS 92 Cb 0.36 -1.48 -0.00 0.00 -0.65 0.00 0.00 35.03 33.26 3kn3 n LYS 92 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 177.40 178.39 3kn3 n GLN 93 N -0.98 6.06 0.30 -1.58 6.02 -1.26 -4.70 117.38 121.25 3kn3 n GLN 93 Ca 0.10 -0.00 0.19 0.00 -0.01 0.00 0.00 57.00 57.27 3kn3 n GLN 93 Cb 0.05 -0.59 1.01 0.00 1.02 0.00 0.00 30.24 31.73 3kn3 n GLN 93 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 177.06 175.83 3kn3 h LYS 94 N 0.00 0.00 -0.04 -1.09 3.64 -1.53 -2.65 116.57 114.90 3kn3 h LYS 94 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3kn3 h LYS 94 Cb 0.02 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.84 3kn3 h LYS 94 CO 0.00 0.00 0.00 1.19 -2.27 0.00 0.00 179.45 178.37 3kn3 n PHE 95 N -3.44 0.11 -1.74 1.91 3.72 -1.26 -5.05 117.46 111.71 3kn3 n PHE 95 Ca -0.02 -0.86 -0.66 0.00 -0.05 0.00 0.00 57.45 55.86 3kn3 n PHE 95 Cb 0.15 -0.14 -0.10 0.00 -0.94 0.00 0.00 39.48 38.46 3kn3 n PHE 95 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 176.76 179.12 3kn3 n THR 96 N -1.07 0.04 -2.28 4.37 -1.04 -1.00 -4.84 114.28 108.46 3kn3 n THR 96 Ca 0.13 -0.01 -0.06 0.00 -2.04 0.00 0.00 64.05 62.08 3kn3 n THR 96 Cb 0.57 -0.58 0.03 0.00 -1.82 0.00 0.00 70.33 68.53 3kn3 n THR 96 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3kn3 n GLY 97 N 3.93 0.18 3.56 3.41 0.00 -1.26 -5.17 105.19 109.84 3kn3 n GLY 97 Ca 0.30 -0.10 -0.25 0.00 0.00 0.00 0.00 46.02 45.97 3kn3 n GLY 97 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3kn3 s SER 99 N -3.28 3.88 0.20 1.61 1.04 -1.26 -5.16 113.70 110.73 3kn3 s SER 99 Ca 0.09 -1.08 -0.09 0.00 0.48 0.00 0.00 55.95 55.35 3kn3 s SER 99 Cb -0.01 -0.42 0.13 0.00 0.10 0.00 0.00 66.02 65.82 3kn3 s SER 99 CO 0.26 -0.16 1.76 -0.37 0.98 0.00 0.00 173.24 175.71 3kn3 h VAL 100 N 2.00 1.25 -0.42 5.02 -1.51 -1.97 0.96 116.25 121.57 3kn3 h VAL 100 Ca -0.42 -0.80 0.07 0.00 -1.23 0.00 0.00 66.70 64.32 3kn3 h VAL 100 Cb 1.25 0.40 -0.06 0.00 -2.13 0.00 0.00 31.29 30.75 3kn3 h VAL 100 CO 0.67 0.32 0.08 0.00 -1.23 0.00 0.00 177.57 177.41 3kn3 h ALA 101 N 1.14 0.46 -0.05 5.19 0.00 -1.97 0.18 119.26 124.22 3kn3 h ALA 101 Ca 0.24 0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.24 3kn3 h ALA 101 Cb 0.22 0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 3kn3 h ALA 101 CO -0.02 -0.32 0.03 0.93 0.00 0.00 0.00 179.25 179.87 3kn3 h GLU 102 N 0.21 0.07 -0.58 0.00 5.08 -1.78 -2.52 114.58 115.05 3kn3 h GLU 102 Ca 0.21 -0.01 0.03 0.00 -1.00 0.00 0.00 59.36 58.59 3kn3 h GLU 102 Cb 0.25 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.46 3kn3 h GLU 102 CO -0.27 0.13 0.38 0.00 -1.00 0.00 0.00 179.01 178.25 3kn3 h ALA 103 N 0.94 1.71 -0.10 3.43 0.00 -0.27 -0.71 119.26 124.26 3kn3 h ALA 103 Ca 0.02 -0.03 -0.19 0.00 0.00 0.00 0.00 54.91 54.71 3kn3 h ALA 103 Cb 0.08 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 3kn3 h ALA 103 CO -0.00 0.23 -0.72 0.74 0.00 0.00 0.00 179.25 179.50 3kn3 h PHE 104 N 0.67 0.62 -0.30 0.00 -1.00 -0.47 -0.05 116.94 116.41 3kn3 h PHE 104 Ca 0.23 -0.27 -0.01 0.00 2.81 0.00 0.00 57.97 60.73 3kn3 h PHE 104 Cb 0.10 -0.10 -0.01 0.00 3.61 0.00 0.00 35.95 39.55 3kn3 h PHE 104 CO -0.00 1.03 0.13 0.87 -1.61 0.00 0.00 178.31 178.73 3kn3 h LYS 105 N 0.32 0.44 -0.65 1.51 1.57 -0.97 -1.86 116.57 116.92 3kn3 h LYS 105 Ca -0.03 -0.07 0.12 0.00 -1.87 0.00 0.00 60.65 58.80 3kn3 h LYS 105 Cb 1.29 -0.08 -0.09 0.00 0.08 0.00 0.00 32.23 33.44 3kn3 h LYS 105 CO 0.13 0.43 0.20 1.25 -0.57 0.00 0.00 179.45 180.89 3kn3 h LEU 106 N 0.34 0.13 -0.45 2.94 6.46 -0.95 -0.32 115.31 123.47 3kn3 h LEU 106 Ca 0.10 0.10 0.00 0.00 -0.12 0.00 0.00 57.88 57.97 3kn3 h LEU 106 Cb 0.15 0.11 -0.02 0.00 -0.73 0.00 0.00 40.66 40.17 3kn3 h LEU 106 CO -0.01 0.06 0.28 0.40 -0.62 0.00 0.00 178.44 178.56 3kn3 h ILE 107 N 0.35 1.13 0.00 4.05 2.04 -0.32 -0.75 117.51 124.02 3kn3 h ILE 107 Ca 0.35 -0.28 -0.09 0.00 1.00 0.00 0.00 64.86 65.84 3kn3 h ILE 107 Cb 0.50 0.51 -0.01 0.00 -0.74 0.00 0.00 36.82 37.08 3kn3 h ILE 107 CO -0.38 0.13 -0.43 -0.08 0.00 0.00 0.00 178.15 177.39 3kn3 h GLU 108 N 0.60 0.00 0.01 2.37 4.81 -1.05 -1.00 114.58 120.32 3kn3 h GLU 108 Ca 0.16 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.39 3kn3 h GLU 108 Cb -0.03 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.35 3kn3 h GLU 108 CO -0.03 0.43 -0.01 -0.22 -0.73 0.00 0.00 179.01 178.45 3kn3 h LYS 109 N 0.00 -0.02 -0.19 1.92 3.64 0.18 -2.95 116.57 119.15 3kn3 h LYS 109 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3kn3 h LYS 109 Cb 0.77 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.59 3kn3 h LYS 109 CO 0.06 0.53 0.00 0.39 -2.27 0.00 0.00 179.45 178.16 3kn3 n GLU 110 N -4.83 1.60 -4.01 1.90 1.02 -0.41 -4.94 120.64 110.97 3kn3 n GLU 110 Ca -0.09 -0.92 -0.36 0.00 -0.02 0.00 0.00 57.16 55.77 3kn3 n GLU 110 Cb 0.28 -1.31 -0.01 0.00 -0.02 0.00 0.00 31.44 30.39 3kn3 n GLU 110 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 3kn3 n GLN 111 N 0.18 -1.18 -2.68 3.49 6.02 -0.71 -4.94 117.38 117.55 3kn3 n GLN 111 Ca 0.13 0.22 -0.40 0.00 -0.01 0.00 0.00 57.00 56.94 3kn3 n GLN 111 Cb 0.26 -3.48 -0.05 0.00 1.02 0.00 0.00 30.24 27.98 3kn3 n GLN 111 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 3kn3 s VAL 112 N -3.77 4.07 0.17 5.09 1.01 -0.46 -4.88 120.40 121.62 3kn3 s VAL 112 Ca 0.30 1.95 -0.32 0.00 0.00 0.00 0.00 61.98 63.91 3kn3 s VAL 112 Cb -0.14 -4.24 -0.11 0.00 0.00 0.00 0.00 36.38 31.88 3kn3 s VAL 112 CO 0.94 0.41 1.71 -0.54 0.00 0.00 0.00 175.10 177.62 3kn3 s LYS 113 N -0.85 4.15 -0.06 2.72 1.02 -1.26 -4.77 119.74 120.69 3kn3 s LYS 113 Ca 0.44 2.54 0.01 0.00 0.02 0.00 0.00 55.97 58.98 3kn3 s LYS 113 Cb -0.27 -3.23 0.02 0.00 -0.52 0.00 0.00 37.83 33.83 3kn3 s LYS 113 CO 0.33 -0.74 -0.08 0.12 -0.92 0.00 0.00 175.35 174.06 3kn3 s PHE 114 N 1.59 1.09 -0.39 3.18 5.36 -0.36 -0.11 117.98 128.33 3kn3 s PHE 114 Ca 0.75 -0.38 -0.12 0.00 -0.96 0.00 0.00 56.93 56.22 3kn3 s PHE 114 Cb -0.47 -0.88 0.03 0.00 -0.34 0.00 0.00 43.02 41.37 3kn3 s PHE 114 CO 0.33 -0.25 0.25 0.08 -1.46 0.00 0.00 175.22 174.16 3kn3 s VAL 115 N 0.90 4.73 0.34 3.12 1.01 0.94 -1.01 120.40 130.44 3kn3 s VAL 115 Ca -0.11 -0.89 -0.19 0.00 0.00 0.00 0.00 61.98 60.79 3kn3 s VAL 115 Cb -0.15 -3.68 -0.10 0.00 0.00 0.00 0.00 36.38 32.46 3kn3 s VAL 115 CO 0.01 -0.31 0.83 -0.55 0.00 0.00 0.00 175.10 175.08 3kn3 s SER 116 N 1.71 6.93 0.39 3.32 0.15 0.12 -4.44 113.70 121.87 3kn3 s SER 116 Ca 0.03 1.50 0.12 0.00 0.70 0.00 0.00 55.95 58.30 3kn3 s SER 116 Cb -0.20 -2.46 0.93 0.00 -1.71 0.00 0.00 66.02 62.59 3kn3 s SER 116 CO 0.07 -0.21 1.87 0.03 1.20 0.00 0.00 173.24 176.21 3kn3 h ARG 117 N 2.41 0.55 -1.85 5.44 2.47 -1.88 0.52 114.38 122.03 3kn3 h ARG 117 Ca -0.48 -0.03 -0.38 0.00 -1.26 0.00 0.00 59.98 57.83 3kn3 h ARG 117 Cb 1.18 -0.12 -0.08 0.00 -1.65 0.00 0.00 29.97 29.30 3kn3 h ARG 117 CO 0.64 0.36 -0.42 0.41 0.56 0.00 0.00 179.97 181.52 3kn3 n GLY 118 N -1.47 0.62 0.00 0.04 0.00 -1.26 -0.14 105.19 102.98 3kn3 n GLY 118 Ca 0.17 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.08 3kn3 n GLY 118 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3kn3 n ASP 119 N -1.32 0.75 -3.71 1.61 3.85 -1.26 -4.24 116.55 112.24 3kn3 n ASP 119 Ca -0.21 0.00 -0.33 0.00 -0.71 0.00 0.00 54.79 53.54 3kn3 n ASP 119 Cb 0.64 0.00 -0.05 0.00 -1.35 0.00 0.00 41.12 40.36 3kn3 n ASP 119 CO 0.00 0.00 0.00 0.29 -1.01 0.00 0.00 177.20 176.48 3kn3 n LYS 120 N 0.00 3.10 -4.54 0.11 5.02 -1.26 -4.86 118.16 115.73 3kn3 n LYS 120 Ca 0.00 -4.61 -0.28 0.00 -2.02 0.00 0.00 58.31 51.40 3kn3 n LYS 120 Cb 0.00 -2.36 -0.10 0.00 -0.02 0.00 0.00 35.03 32.55 3kn3 n LYS 120 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 3kn3 s SER 121 N -1.92 3.98 0.27 4.39 1.04 -1.26 -4.76 113.70 115.43 3kn3 s SER 121 Ca 0.35 -1.33 -0.03 0.00 0.48 0.00 0.00 55.95 55.42 3kn3 s SER 121 Cb 0.08 -0.38 0.35 0.00 0.10 0.00 0.00 66.02 66.17 3kn3 s SER 121 CO 0.00 -0.48 1.82 1.23 0.98 0.00 0.00 173.24 176.79 3kn3 h GLY 122 N 1.70 1.00 0.90 7.32 0.00 -1.79 -2.10 103.07 110.09 3kn3 h GLY 122 Ca -0.44 -0.56 -0.02 0.00 0.00 0.00 0.00 47.33 46.32 3kn3 h GLY 122 CO 0.79 0.52 0.09 -0.84 0.00 0.00 0.00 176.54 177.10 3kn3 h THR 123 N 0.90 1.19 -0.69 4.70 2.02 -1.94 -1.09 112.91 118.01 3kn3 h THR 123 Ca 0.20 -0.61 0.04 0.00 0.77 0.00 0.00 66.41 66.81 3kn3 h THR 123 Cb 0.25 1.09 -0.04 0.00 -1.74 0.00 0.00 68.15 67.71 3kn3 h THR 123 CO -0.01 0.20 0.45 -0.74 0.37 0.00 0.00 175.52 175.80 3kn3 h HIS 124 N 0.28 0.79 -0.44 3.16 6.17 -1.85 -0.65 115.15 122.61 3kn3 h HIS 124 Ca 0.09 0.02 -0.11 0.00 0.71 0.00 0.00 60.37 61.08 3kn3 h HIS 124 Cb 0.23 -0.26 -0.01 0.00 2.52 0.00 0.00 27.41 29.88 3kn3 h HIS 124 CO 0.00 0.45 -0.14 0.77 0.71 0.00 0.00 177.93 179.73 3kn3 h SER 125 N 0.81 0.88 -0.25 3.26 0.02 -1.08 -0.63 113.55 116.57 3kn3 h SER 125 Ca 0.28 -0.37 -0.01 0.00 -0.84 0.00 0.00 61.79 60.84 3kn3 h SER 125 Cb 0.09 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.37 3kn3 h SER 125 CO -0.08 1.06 0.10 0.50 -1.14 0.00 0.00 176.83 177.27 3kn3 h LYS 126 N 0.70 0.38 -0.89 3.45 1.63 -0.61 -2.66 116.57 118.57 3kn3 h LYS 126 Ca 0.11 -0.07 0.00 0.00 -0.85 0.00 0.00 60.65 59.84 3kn3 h LYS 126 Cb 0.69 -0.06 -0.04 0.00 -0.60 0.00 0.00 32.23 32.21 3kn3 h LYS 126 CO 0.05 0.41 0.56 1.49 -3.45 0.00 0.00 179.45 178.51 3kn3 h GLU 127 N 0.26 1.19 -1.00 1.90 4.81 -1.06 -1.51 114.58 119.18 3kn3 h GLU 127 Ca 0.08 -0.09 0.01 0.00 -0.13 0.00 0.00 59.36 59.23 3kn3 h GLU 127 Cb 0.17 -0.26 -0.05 0.00 0.63 0.00 0.00 28.75 29.24 3kn3 h GLU 127 CO -0.01 0.82 0.66 0.00 -0.73 0.00 0.00 179.01 179.75 3kn3 h ARG 128 N 1.22 1.31 -0.01 1.92 3.08 -0.99 -2.04 114.38 118.86 3kn3 h ARG 128 Ca 0.32 -0.08 -0.14 0.00 0.07 0.00 0.00 59.98 60.15 3kn3 h ARG 128 Cb -0.09 -0.30 -0.02 0.00 0.08 0.00 0.00 29.97 29.64 3kn3 h ARG 128 CO -0.06 0.87 -0.66 1.05 -1.07 0.00 0.00 179.97 180.09 3kn3 h GLU 129 N 1.35 0.07 -0.61 0.04 4.11 -0.94 -2.24 114.58 116.36 3kn3 h GLU 129 Ca 0.37 -0.05 -0.04 0.00 0.07 0.00 0.00 59.36 59.71 3kn3 h GLU 129 Cb -0.15 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.08 3kn3 h GLU 129 CO -0.08 0.70 0.23 0.28 0.07 0.00 0.00 179.01 180.22 3kn3 h VAL 130 N 0.05 1.23 -0.46 -1.06 2.07 -0.92 -0.12 116.25 117.04 3kn3 h VAL 130 Ca -0.01 -0.74 -0.06 0.00 0.82 0.00 0.00 66.70 66.71 3kn3 h VAL 130 Cb 1.18 0.58 -0.02 0.00 -1.52 0.00 0.00 31.29 31.51 3kn3 h VAL 130 CO 0.09 0.29 0.04 -0.50 0.02 0.00 0.00 177.57 177.51 3kn3 h TRP 131 N 0.85 0.76 -0.26 1.57 4.06 -1.22 -0.54 115.95 121.17 3kn3 h TRP 131 Ca 0.20 -0.09 -0.08 0.00 2.06 0.00 0.00 58.89 60.98 3kn3 h TRP 131 Cb 0.22 -0.22 -0.01 0.00 -1.00 0.00 0.00 29.16 28.16 3kn3 h TRP 131 CO 0.01 0.69 -0.17 0.87 -3.56 0.00 0.00 178.44 176.29 3kn3 h LYS 132 N 0.69 0.56 -0.09 0.49 1.57 -1.18 0.11 116.57 118.72 3kn3 h LYS 132 Ca 0.14 -0.27 -0.07 0.00 -1.87 0.00 0.00 60.65 58.59 3kn3 h LYS 132 Cb 0.37 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.66 3kn3 h LYS 132 CO 0.01 0.84 -0.25 0.93 -0.57 0.00 0.00 179.45 180.41 3kn3 h GLU 133 N 0.29 0.16 0.00 3.15 5.08 -0.76 -1.18 114.58 121.32 3kn3 h GLU 133 Ca 0.05 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3kn3 h GLU 133 Cb 0.69 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.93 3kn3 h GLU 133 CO 0.05 0.41 -1.70 0.00 -1.00 0.00 0.00 179.01 176.77 3kn3 n ALA 134 N -2.48 3.34 0.00 3.43 0.00 -0.23 -4.73 120.51 119.83 3kn3 n ALA 134 Ca -0.01 -0.53 0.00 0.00 0.00 0.00 0.00 53.44 52.89 3kn3 n ALA 134 Cb 0.34 -0.74 0.00 0.00 0.00 0.00 0.00 19.45 19.05 3kn3 n ALA 134 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3kn3 n LEU 135 N -2.03 0.00 0.00 0.00 4.77 0.00 -4.81 117.00 114.92 3kn3 n LEU 135 Ca -0.02 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.96 3kn3 n LEU 135 Cb 0.49 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.58 3kn3 n LEU 135 CO 0.44 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.11 3kn3 n GLY 136 N 0.08 2.05 3.52 -0.72 0.00 -0.45 -5.00 105.19 104.67 3kn3 n GLY 136 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 3kn3 n GLY 136 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kn3 s LYS 137 N -0.04 1.38 0.13 1.61 1.02 -1.25 -4.76 119.74 117.83 3kn3 s LYS 137 Ca 0.00 -0.76 -0.25 0.00 0.02 0.00 0.00 55.97 54.97 3kn3 s LYS 137 Cb 0.00 0.55 -0.07 0.00 -0.52 0.00 0.00 37.83 37.78 3kn3 s LYS 137 CO 0.00 -0.59 0.79 -1.50 -0.92 0.00 0.00 175.35 173.12 3kn3 s ILE 138 N -3.84 4.47 0.00 2.17 -1.16 -1.26 -4.53 121.20 117.05 3kn3 s ILE 138 Ca 0.07 1.71 -0.02 0.00 -0.51 0.00 0.00 60.65 61.89 3kn3 s ILE 138 Cb -0.01 -4.14 -0.11 0.00 0.61 0.00 0.00 42.46 38.80 3kn3 s ILE 138 CO -0.05 0.47 2.34 -0.81 -2.81 0.00 0.00 174.94 174.08 3kn3 n PRO 139 N 1.99 1.22 0.04 3.50 -0.04 -1.26 -4.68 135.00 135.77 3kn3 n PRO 139 Ca -0.04 -0.41 0.14 0.00 -0.04 0.00 0.00 63.50 63.14 3kn3 n PRO 139 Cb 0.49 -1.51 0.60 0.00 -0.04 0.00 0.00 33.50 33.04 3kn3 n PRO 139 CO 0.00 0.00 0.00 1.05 -0.04 0.00 0.00 175.50 176.51 3kn3 h GLU 140 N 2.60 0.16 -0.00 0.54 4.11 -1.94 -1.95 114.58 118.09 3kn3 h GLU 140 Ca 0.08 -0.01 -0.15 0.00 0.07 0.00 0.00 59.36 59.35 3kn3 h GLU 140 Cb 1.02 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 30.22 3kn3 h GLU 140 CO 0.14 0.11 -0.69 0.87 0.07 0.00 0.00 179.01 179.51 3kn3 h LYS 141 N 0.16 0.02 -6.78 1.06 1.57 -1.93 -3.47 116.57 107.20 3kn3 h LYS 141 Ca 0.19 -0.01 -0.55 0.00 -1.87 0.00 0.00 60.65 58.41 3kn3 h LYS 141 Cb 0.55 0.00 0.10 0.00 0.08 0.00 0.00 32.23 32.96 3kn3 h LYS 141 CO -0.03 0.70 0.73 0.39 -0.57 0.00 0.00 179.45 180.67 3kn3 n GLU 142 N -3.72 2.46 0.06 3.15 -0.58 -0.74 -4.90 120.64 116.37 3kn3 n GLU 142 Ca -0.01 0.87 0.14 0.00 -0.42 0.00 0.00 57.16 57.74 3kn3 n GLU 142 Cb 0.68 -2.57 0.62 0.00 -0.57 0.00 0.00 31.44 29.60 3kn3 n GLU 142 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 3kn3 h SER 143 N 3.74 0.10 0.23 1.62 4.64 -1.90 -1.46 113.55 120.52 3kn3 h SER 143 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 3kn3 h SER 143 Cb 1.25 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 3kn3 h SER 143 CO 0.71 0.06 -0.20 -2.67 -0.87 0.00 0.00 176.83 173.86 3kn3 n TRP 144 N -4.45 0.00 -3.18 4.77 4.27 -1.26 -4.75 117.44 112.84 3kn3 n TRP 144 Ca 0.06 0.00 -0.44 0.00 -3.89 0.00 0.00 57.50 53.23 3kn3 n TRP 144 Cb 0.37 -0.12 -0.06 0.00 -1.36 0.00 0.00 31.31 30.14 3kn3 n TRP 144 CO 0.00 0.00 0.00 -0.47 -2.29 0.00 0.00 177.69 174.93 3kn3 s TYR 145 N -2.44 3.07 -0.23 -2.67 5.04 -0.55 -1.22 117.35 118.34 3kn3 s TYR 145 Ca 0.27 -0.60 -0.10 0.00 -2.44 0.00 0.00 57.07 54.20 3kn3 s TYR 145 Cb 0.20 -3.53 -0.05 0.00 0.35 0.00 0.00 41.96 38.93 3kn3 s TYR 145 CO 0.49 -1.02 0.13 0.42 -1.34 0.00 0.00 175.55 174.23 3kn3 s ILE 146 N 2.53 5.11 -0.50 3.14 1.01 -0.18 -4.84 121.20 127.48 3kn3 s ILE 146 Ca 0.14 0.09 -0.17 0.00 0.00 0.00 0.00 60.65 60.71 3kn3 s ILE 146 Cb -0.20 -3.37 0.07 0.00 0.01 0.00 0.00 42.46 38.97 3kn3 s ILE 146 CO 0.11 0.36 0.51 -1.61 0.00 0.00 0.00 174.94 174.31 3kn3 s GLU 147 N 1.02 3.04 0.21 2.79 2.02 -1.26 0.10 118.70 126.63 3kn3 s GLU 147 Ca 0.06 -1.18 -0.03 0.00 0.02 0.00 0.00 54.97 53.84 3kn3 s GLU 147 Cb -0.14 -4.13 0.17 0.00 0.10 0.00 0.00 34.13 30.13 3kn3 s GLU 147 CO 0.04 -1.15 1.59 0.00 0.02 0.00 0.00 175.26 175.76 3kn3 h ALA 148 N 8.88 0.82 -3.15 5.21 0.00 -1.01 -3.47 119.26 126.54 3kn3 h ALA 148 Ca -0.28 -0.42 -0.40 0.00 0.00 0.00 0.00 54.91 53.80 3kn3 h ALA 148 Cb 1.10 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 3kn3 h ALA 148 CO 0.93 0.64 -0.53 0.41 0.00 0.00 0.00 179.25 180.70 3kn3 n GLY 149 N -0.05 -0.47 2.96 0.00 0.00 0.80 -4.97 105.19 103.46 3kn3 n GLY 149 Ca -0.01 -0.01 -0.18 0.00 0.00 0.00 0.00 46.02 45.82 3kn3 n GLY 149 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3kn3 n GLN 150 N -3.12 0.38 0.00 1.61 6.02 -1.09 -4.93 117.38 116.25 3kn3 n GLN 150 Ca -0.22 -3.07 0.00 0.00 -0.01 0.00 0.00 57.00 53.70 3kn3 n GLN 150 Cb 0.67 2.53 0.00 0.00 1.02 0.00 0.00 30.24 34.46 3kn3 n GLN 150 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3kn3 n GLY 151 N -0.58 -1.49 0.00 1.08 0.00 -1.26 -4.70 105.19 98.24 3kn3 n GLY 151 Ca 0.07 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.88 3kn3 n GLY 151 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3kn3 n LEU 153 N 0.00 0.00 -0.19 0.99 0.00 -1.26 -0.37 117.00 116.17 3kn3 n LEU 153 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 56.01 55.96 3kn3 n LEU 153 Cb 0.00 0.00 0.05 0.00 0.00 0.00 0.00 43.42 43.47 3kn3 n LEU 153 CO 0.00 0.00 1.08 0.00 0.00 0.00 0.00 177.39 178.47 3kn3 h ALA 154 N 0.00 0.72 -0.81 1.96 0.00 -2.00 -2.39 119.26 116.74 3kn3 h ALA 154 Ca 0.00 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 3kn3 h ALA 154 Cb 0.00 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.58 3kn3 h ALA 154 CO 0.00 0.07 0.37 1.15 0.00 0.00 0.00 179.25 180.84 3kn3 h THR 155 N 0.68 1.26 -0.56 0.00 2.02 -0.99 -0.48 112.91 114.84 3kn3 h THR 155 Ca 0.23 -0.75 0.01 0.00 0.77 0.00 0.00 66.41 66.67 3kn3 h THR 155 Cb 0.02 0.25 -0.03 0.00 -1.74 0.00 0.00 68.15 66.64 3kn3 h THR 155 CO -0.09 0.32 0.36 0.40 0.37 0.00 0.00 175.52 176.87 3kn3 h ILE 156 N 1.16 1.11 -0.33 3.11 2.04 -1.76 -2.12 117.51 120.72 3kn3 h ILE 156 Ca 0.28 -0.25 -0.03 0.00 1.00 0.00 0.00 64.86 65.86 3kn3 h ILE 156 Cb 0.15 0.32 -0.01 0.00 -0.74 0.00 0.00 36.82 36.54 3kn3 h ILE 156 CO -0.03 0.13 0.10 0.78 0.00 0.00 0.00 178.15 179.13 3kn3 h ASN 157 N 0.73 0.49 -0.48 1.72 2.35 -0.82 0.09 115.58 119.66 3kn3 h ASN 157 Ca 0.21 -0.21 0.11 0.00 -0.55 0.00 0.00 56.30 55.85 3kn3 h ASN 157 Cb -0.05 -0.13 -0.03 0.00 0.05 0.00 0.00 38.32 38.17 3kn3 h ASN 157 CO -0.06 0.57 0.34 0.40 -1.65 0.00 0.00 177.43 177.03 3kn3 h ILE 158 N 0.38 0.85 0.10 2.81 2.04 -0.98 0.15 117.51 122.86 3kn3 h ILE 158 Ca 0.11 -0.07 -0.28 0.00 1.00 0.00 0.00 64.86 65.62 3kn3 h ILE 158 Cb 0.27 0.64 -0.01 0.00 -0.74 0.00 0.00 36.82 36.98 3kn3 h ILE 158 CO -0.00 0.04 -1.40 0.00 0.00 0.00 0.00 178.15 176.79 3kn3 h ALA 159 N 1.76 0.27 -0.36 1.87 0.00 -0.67 -0.14 119.26 121.98 3kn3 h ALA 159 Ca 0.23 -1.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.00 3kn3 h ALA 159 Cb 0.64 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 3kn3 h ALA 159 CO -0.04 1.14 -0.14 1.49 0.00 0.00 0.00 179.25 181.70 3kn3 h GLU 160 N 0.06 0.72 -0.45 0.00 4.22 -0.48 0.16 114.58 118.80 3kn3 h GLU 160 Ca -0.19 -0.30 -0.13 0.00 0.08 0.00 0.00 59.36 58.82 3kn3 h GLU 160 Cb 1.97 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 31.18 3kn3 h GLU 160 CO 0.16 0.90 -0.24 0.93 -2.18 0.00 0.00 179.01 178.59 3kn3 h GLU 161 N 0.51 0.97 -0.12 1.92 5.08 -0.72 -2.91 114.58 119.30 3kn3 h GLU 161 Ca 0.08 -0.43 0.00 0.00 -1.00 0.00 0.00 59.36 58.01 3kn3 h GLU 161 Cb 0.67 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.90 3kn3 h GLU 161 CO 0.05 1.10 0.00 1.04 -1.00 0.00 0.00 179.01 180.20 3kn3 n GLN 162 N -4.12 1.33 -3.60 2.33 1.13 -0.07 -4.93 117.38 109.45 3kn3 n GLN 162 Ca -0.01 -0.51 -0.22 0.00 -1.94 0.00 0.00 57.00 54.33 3kn3 n GLN 162 Cb 0.47 -1.21 0.05 0.00 0.11 0.00 0.00 30.24 29.66 3kn3 n GLN 162 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 3kn3 n LYS 163 N -0.17 -3.95 -3.11 -1.09 4.76 -0.90 -4.99 118.16 108.70 3kn3 n LYS 163 Ca 0.09 0.65 -0.11 0.00 -2.87 0.00 0.00 58.31 56.07 3kn3 n LYS 163 Cb 0.15 -5.15 -0.04 0.00 -1.84 0.00 0.00 35.03 28.15 3kn3 n LYS 163 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3kn3 n GLY 164 N -1.50 3.60 3.94 0.72 0.00 0.50 -4.78 105.19 107.66 3kn3 n GLY 164 Ca -0.23 -1.90 -0.27 0.00 0.00 0.00 0.00 46.02 43.63 3kn3 n GLY 164 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kn3 s LEU 165 N 0.00 4.29 0.03 0.99 1.02 0.84 -4.47 118.68 121.39 3kn3 s LEU 165 Ca 0.14 0.26 -0.16 0.00 0.02 0.00 0.00 54.13 54.39 3kn3 s LEU 165 Cb 0.01 -3.02 0.03 0.00 0.02 0.00 0.00 46.19 43.23 3kn3 s LEU 165 CO 0.10 0.01 0.36 0.28 0.02 0.00 0.00 176.35 177.12 3kn3 s THR 166 N -1.80 0.07 -0.14 5.49 -1.32 -0.86 -0.04 115.64 117.04 3kn3 s THR 166 Ca 0.36 -0.54 -0.22 0.00 -1.21 0.00 0.00 61.69 60.08 3kn3 s THR 166 Cb -0.11 -0.89 -0.03 0.00 -1.51 0.00 0.00 72.50 69.96 3kn3 s THR 166 CO 0.29 -0.30 0.69 -0.22 -2.21 0.00 0.00 174.62 172.87 3kn3 s LEU 167 N -1.90 4.22 0.06 9.08 2.96 -1.26 -0.94 118.68 130.91 3kn3 s LEU 167 Ca -0.07 1.03 0.04 0.00 -0.22 0.00 0.00 54.13 54.91 3kn3 s LEU 167 Cb -0.01 -3.02 -0.03 0.00 0.50 0.00 0.00 46.19 43.63 3kn3 s LEU 167 CO -0.01 -0.23 -0.12 0.28 -1.32 0.00 0.00 176.35 174.95 3kn3 s THR 168 N 1.49 0.90 0.62 3.68 -1.32 0.15 -4.93 115.64 116.22 3kn3 s THR 168 Ca 0.34 -1.27 -0.17 0.00 -1.21 0.00 0.00 61.69 59.38 3kn3 s THR 168 Cb -0.17 -0.95 -0.02 0.00 -1.51 0.00 0.00 72.50 69.86 3kn3 s THR 168 CO 0.13 -0.32 1.15 1.51 -2.21 0.00 0.00 174.62 174.89 3kn3 s ASP 169 N -1.77 5.20 0.14 8.08 1.47 -1.26 -0.57 116.67 127.96 3kn3 s ASP 169 Ca -0.04 2.19 -0.12 0.00 1.18 0.00 0.00 52.55 55.76 3kn3 s ASP 169 Cb -0.09 -2.58 -0.02 0.00 -0.34 0.00 0.00 42.92 39.89 3kn3 s ASP 169 CO 0.01 -1.58 1.52 -0.09 0.68 0.00 0.00 175.17 175.71 3kn3 h ARG 170 N 0.55 0.90 -0.28 2.11 2.43 -1.79 -3.10 114.38 115.20 3kn3 h ARG 170 Ca -0.49 -0.40 0.05 0.00 -0.81 0.00 0.00 59.98 58.33 3kn3 h ARG 170 Cb 1.27 -0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 30.75 3kn3 h ARG 170 CO 0.55 1.05 0.00 0.78 -1.51 0.00 0.00 179.97 180.84 3kn3 h GLY 171 N 0.73 0.27 0.95 2.80 0.00 -1.85 0.24 103.07 106.21 3kn3 h GLY 171 Ca 0.09 0.03 0.02 0.00 0.00 0.00 0.00 47.33 47.47 3kn3 h GLY 171 CO 0.07 -0.06 0.52 -0.84 0.00 0.00 0.00 176.54 176.23 3kn3 h THR 172 N 0.09 1.17 -0.58 4.70 2.02 -1.84 -2.39 112.91 116.08 3kn3 h THR 172 Ca 0.13 -0.36 -0.04 0.00 0.77 0.00 0.00 66.41 66.91 3kn3 h THR 172 Cb 0.18 0.03 -0.03 0.00 -1.74 0.00 0.00 68.15 66.59 3kn3 h THR 172 CO -0.23 0.19 0.19 0.15 0.37 0.00 0.00 175.52 176.19 3kn3 h PHE 173 N 1.05 0.88 -0.66 3.16 3.57 -1.10 -0.18 116.94 123.64 3kn3 h PHE 173 Ca 0.30 -0.07 -0.03 0.00 3.53 0.00 0.00 57.97 61.70 3kn3 h PHE 173 Cb -0.07 -0.26 -0.03 0.00 2.79 0.00 0.00 35.95 38.38 3kn3 h PHE 173 CO -0.02 0.70 0.28 0.82 -2.23 0.00 0.00 178.31 177.87 3kn3 h ILE 174 N 0.84 1.23 -0.17 1.41 2.04 -0.64 -0.45 117.51 121.78 3kn3 h ILE 174 Ca 0.19 -0.71 -0.02 0.00 1.00 0.00 0.00 64.86 65.32 3kn3 h ILE 174 Cb 0.23 0.46 -0.01 0.00 -0.74 0.00 0.00 36.82 36.77 3kn3 h ILE 174 CO -0.01 0.29 0.03 0.50 0.00 0.00 0.00 178.15 178.95 3kn3 h LYS 175 N 0.93 0.28 -0.45 2.37 3.64 -0.92 -1.94 116.57 120.47 3kn3 h LYS 175 Ca 0.22 -0.07 0.09 0.00 -1.27 0.00 0.00 60.65 59.62 3kn3 h LYS 175 Cb 0.18 -0.03 -0.09 0.00 -0.41 0.00 0.00 32.23 31.87 3kn3 h LYS 175 CO -0.02 0.45 -0.17 -0.92 -2.27 0.00 0.00 179.45 176.51 3kn3 h TYR 176 N 0.06 -0.41 -0.55 1.91 3.20 -0.80 -0.53 116.97 119.84 3kn3 h TYR 176 Ca 0.05 0.05 0.10 0.00 3.14 0.00 0.00 58.73 62.07 3kn3 h TYR 176 Cb 0.30 0.25 -0.08 0.00 1.54 0.00 0.00 36.73 38.74 3kn3 h TYR 176 CO 0.02 -0.26 0.06 0.93 -1.64 0.00 0.00 178.16 177.27 3kn3 h GLU 177 N -0.07 0.18 -0.60 1.82 5.08 -0.94 -1.73 114.58 118.32 3kn3 h GLU 177 Ca 0.22 -0.01 0.08 0.00 -1.00 0.00 0.00 59.36 58.65 3kn3 h GLU 177 Cb 0.41 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.58 3kn3 h GLU 177 CO -0.51 0.12 0.40 0.66 -1.00 0.00 0.00 179.01 178.68 3kn3 h SER 178 N 0.18 0.43 0.02 1.42 4.64 -0.31 0.27 113.55 120.22 3kn3 h SER 178 Ca 0.28 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.61 3kn3 h SER 178 Cb 0.42 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 62.43 3kn3 h SER 178 CO -0.41 0.27 -0.01 0.59 -0.87 0.00 0.00 176.83 176.40 3kn3 n ASN 179 N -4.48 0.56 -3.22 4.97 3.02 -0.69 -4.26 115.26 111.16 3kn3 n ASN 179 Ca 0.09 -1.14 -0.24 0.00 -0.03 0.00 0.00 54.58 53.26 3kn3 n ASN 179 Cb 0.31 -0.01 -0.06 0.00 -0.61 0.00 0.00 39.78 39.41 3kn3 n ASN 179 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 3kn3 n HIS 180 N -0.59 1.54 -1.32 3.10 8.25 0.96 -5.09 115.22 122.07 3kn3 n HIS 180 Ca 0.22 -3.85 -0.31 0.00 -0.26 0.00 0.00 57.72 53.52 3kn3 n HIS 180 Cb 0.21 -0.44 0.09 0.00 1.12 0.00 0.00 29.99 30.96 3kn3 n HIS 180 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 3kn3 s LYS 181 N -2.12 2.29 1.41 -0.41 1.02 -1.24 -4.65 119.74 116.04 3kn3 s LYS 181 Ca 0.39 1.23 0.00 0.00 0.02 0.00 0.00 55.97 57.61 3kn3 s LYS 181 Cb 0.21 -1.90 0.00 0.00 -0.52 0.00 0.00 37.83 35.62 3kn3 s LYS 181 CO -0.08 -1.62 0.00 0.41 -0.92 0.00 0.00 175.35 173.14 3kn3 n GLY 182 N -1.03 -1.83 3.65 -3.33 0.00 -1.26 -4.83 105.19 96.57 3kn3 n GLY 182 Ca 0.09 -1.37 -0.49 0.00 0.00 0.00 0.00 46.02 44.26 3kn3 n GLY 182 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3kn3 n LYS 183 N -0.04 1.99 -2.47 1.61 5.02 -1.26 -4.86 118.16 118.15 3kn3 n LYS 183 Ca 0.00 0.71 -0.42 0.00 -2.02 0.00 0.00 58.31 56.57 3kn3 n LYS 183 Cb 0.00 -2.65 -0.03 0.00 -0.02 0.00 0.00 35.03 32.34 3kn3 n LYS 183 CO 0.00 0.00 0.00 -2.14 -0.52 0.00 0.00 177.40 174.74 3kn3 s PRO 184 N 4.49 4.40 0.00 1.97 0.02 -1.26 -5.12 135.00 139.50 3kn3 s PRO 184 Ca 0.96 1.68 0.00 0.00 0.02 0.00 0.00 61.00 63.66 3kn3 s PRO 184 Cb -0.70 -3.48 0.02 0.00 0.02 0.00 0.00 34.50 30.36 3kn3 s PRO 184 CO 0.51 -0.35 0.36 -2.30 -0.33 0.00 0.00 177.00 174.89 3kn3 n PRO 185 N 4.67 0.34 0.00 5.54 -0.02 -1.26 -4.68 135.00 139.59 3kn3 n PRO 185 Ca 0.10 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.58 3kn3 n PRO 185 Cb 0.47 -1.02 0.00 0.00 -0.02 0.00 0.00 33.50 32.93 3kn3 n PRO 185 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 3kn3 n VAL 187 N -0.52 0.00 -2.49 -1.45 0.24 0.62 -3.96 118.33 110.78 3kn3 n VAL 187 Ca 0.00 0.00 -0.43 0.00 -2.04 0.00 0.00 64.34 61.87 3kn3 n VAL 187 Cb 0.00 0.00 -0.02 0.00 -1.47 0.00 0.00 33.84 32.35 3kn3 n VAL 187 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 3kn3 s ILE 188 N -2.00 4.39 -0.53 1.34 1.01 -1.26 -1.62 121.20 122.53 3kn3 s ILE 188 Ca 0.00 1.68 0.15 0.00 0.00 0.00 0.00 60.65 62.48 3kn3 s ILE 188 Cb 0.00 -4.09 -0.18 0.00 0.01 0.00 0.00 42.46 38.20 3kn3 s ILE 188 CO 0.00 -0.15 0.56 1.33 0.00 0.00 0.00 174.94 176.68 3kn3 n VAL 189 N 5.36 0.00 -3.68 2.92 0.24 -0.39 -4.94 118.33 117.84 3kn3 n VAL 189 Ca 0.13 -0.20 -0.14 0.00 -2.04 0.00 0.00 64.34 62.10 3kn3 n VAL 189 Cb 0.45 0.78 -0.08 0.00 -1.47 0.00 0.00 33.84 33.52 3kn3 n VAL 189 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 3kn3 s LEU 190 N -3.06 -0.13 0.14 1.34 0.20 -1.17 -4.53 118.68 111.49 3kn3 s LEU 190 Ca 0.03 1.09 -0.24 0.00 0.69 0.00 0.00 54.13 55.70 3kn3 s LEU 190 Cb 0.11 1.92 0.07 0.00 -0.43 0.00 0.00 46.19 47.86 3kn3 s LEU 190 CO 0.62 -0.21 0.67 -1.83 -0.29 0.00 0.00 176.35 175.31 3kn3 s GLU 191 N 0.21 1.25 0.00 1.98 -1.05 -1.26 -2.07 118.70 117.77 3kn3 s GLU 191 Ca -0.01 -0.50 0.00 0.00 -0.15 0.00 0.00 54.97 54.31 3kn3 s GLU 191 Cb -0.04 0.55 0.00 0.00 -0.44 0.00 0.00 34.13 34.20 3kn3 s GLU 191 CO 0.01 -0.55 0.00 0.41 0.95 0.00 0.00 175.26 176.08 3kn3 n GLY 192 N -0.37 3.32 3.65 -3.83 0.00 -1.26 -5.04 105.19 101.66 3kn3 n GLY 192 Ca -0.14 0.00 -0.50 0.00 0.00 0.00 0.00 46.02 45.38 3kn3 n GLY 192 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3kn3 n ASP 193 N 0.00 2.57 0.23 1.61 9.92 -1.26 -4.84 116.55 124.78 3kn3 n ASP 193 Ca 0.00 1.08 0.12 0.00 -0.53 0.00 0.00 54.79 55.46 3kn3 n ASP 193 Cb 0.00 -1.31 0.73 0.00 -0.64 0.00 0.00 41.12 39.90 3kn3 n ASP 193 CO 0.00 0.00 0.00 0.78 0.13 0.00 0.00 177.20 178.11 3kn3 h ASN 194 N 6.05 0.00 0.56 -2.24 2.35 -1.97 0.10 115.58 120.43 3kn3 h ASN 194 Ca -0.47 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.28 3kn3 h ASN 194 Cb 1.29 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.66 3kn3 h ASN 194 CO 0.87 0.00 0.00 0.71 -1.65 0.00 0.00 177.43 177.36 3kn3 h THR 195 N 0.00 0.00 -0.35 2.81 1.35 -2.02 -1.44 112.91 113.25 3kn3 h THR 195 Ca 0.04 -0.26 0.00 0.00 -0.55 0.00 0.00 66.41 65.64 3kn3 h THR 195 Cb 0.18 1.15 0.00 0.00 -1.73 0.00 0.00 68.15 67.75 3kn3 h THR 195 CO -0.00 0.00 0.00 0.18 -0.25 0.00 0.00 175.52 175.45 3kn3 n LEU 196 N -2.84 2.11 -4.80 3.87 4.77 0.36 -4.90 117.00 115.57 3kn3 n LEU 196 Ca -0.00 -1.06 -0.33 0.00 -0.03 0.00 0.00 56.01 54.58 3kn3 n LEU 196 Cb 0.19 -0.29 -0.07 0.00 -2.33 0.00 0.00 43.42 40.93 3kn3 n LEU 196 CO 0.22 0.48 -0.23 -0.54 -1.33 0.00 0.00 177.39 175.99 3kn3 s LYS 197 N -1.56 3.15 -0.14 3.23 1.02 -0.54 -1.33 119.74 123.56 3kn3 s LYS 197 Ca 0.25 -0.43 0.02 0.00 0.02 0.00 0.00 55.97 55.82 3kn3 s LYS 197 Cb 0.14 -2.92 0.01 0.00 -0.52 0.00 0.00 37.83 34.54 3kn3 s LYS 197 CO 0.15 0.66 -0.20 -0.80 -0.92 0.00 0.00 175.35 174.24 3kn3 s ASN 198 N -1.69 3.24 -0.27 2.83 0.01 0.10 -4.99 114.94 114.18 3kn3 s ASN 198 Ca 0.23 -0.57 -0.01 0.00 -0.71 0.00 0.00 52.86 51.80 3kn3 s ASN 198 Cb -0.12 -1.47 0.04 0.00 0.41 0.00 0.00 41.25 40.11 3kn3 s ASN 198 CO 0.14 0.08 -0.05 -0.36 -1.51 0.00 0.00 177.10 175.39 3kn3 s PHE 199 N 0.83 3.18 -0.10 2.20 0.40 -1.26 -1.42 117.98 121.81 3kn3 s PHE 199 Ca -0.06 -1.87 -0.18 0.00 -0.60 0.00 0.00 56.93 54.22 3kn3 s PHE 199 Cb -0.15 -2.04 -0.04 0.00 0.51 0.00 0.00 43.02 41.29 3kn3 s PHE 199 CO -0.02 -0.80 0.49 0.71 0.70 0.00 0.00 175.22 176.30 3kn3 s TYR 200 N 1.24 3.55 0.05 0.36 2.02 -1.26 -4.19 117.35 119.11 3kn3 s TYR 200 Ca -0.04 0.93 0.02 0.00 -0.37 0.00 0.00 57.07 57.62 3kn3 s TYR 200 Cb -0.19 -2.54 -0.03 0.00 -0.40 0.00 0.00 41.96 38.81 3kn3 s TYR 200 CO -0.03 0.22 -0.08 -1.12 -1.57 0.00 0.00 175.55 172.97 3kn3 s SER 201 N 0.42 0.89 0.52 2.29 0.01 -0.14 -0.38 113.70 117.31 3kn3 s SER 201 Ca 0.26 -0.58 0.01 0.00 1.31 0.00 0.00 55.95 56.96 3kn3 s SER 201 Cb -0.16 0.04 0.01 0.00 0.21 0.00 0.00 66.02 66.12 3kn3 s SER 201 CO 0.11 -0.22 0.10 0.00 0.41 0.00 0.00 173.24 173.65 3kn3 n ILE 202 N 1.37 0.00 -5.14 1.44 3.06 -0.59 -1.82 119.36 117.68 3kn3 n ILE 202 Ca -0.22 -2.35 -0.30 0.00 -2.50 0.00 0.00 62.75 57.37 3kn3 n ILE 202 Cb 0.55 0.36 -0.16 0.00 0.54 0.00 0.00 39.64 40.93 3kn3 n ILE 202 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 3kn3 s ALA 204 N -2.86 2.13 0.27 1.51 0.00 0.17 -0.87 121.76 122.12 3kn3 s ALA 204 Ca 0.07 -1.14 -0.30 0.00 0.00 0.00 0.00 51.96 50.60 3kn3 s ALA 204 Cb -0.01 -0.51 -0.10 0.00 0.00 0.00 0.00 23.12 22.50 3kn3 s ALA 204 CO 0.05 0.52 1.42 0.08 0.00 0.00 0.00 175.76 177.82 3kn3 s VAL 205 N -0.66 2.64 -0.24 0.00 1.01 -0.36 -0.75 120.40 122.04 3kn3 s VAL 205 Ca 0.10 0.56 -0.29 0.00 0.00 0.00 0.00 61.98 62.35 3kn3 s VAL 205 Cb -0.10 -3.36 -0.03 0.00 0.00 0.00 0.00 36.38 32.89 3kn3 s VAL 205 CO 0.00 0.10 1.81 0.21 0.00 0.00 0.00 175.10 177.22 3kn3 s ASN 206 N 0.17 6.06 0.36 3.32 3.84 -0.71 -4.79 114.94 123.20 3kn3 s ASN 206 Ca 0.57 1.64 0.27 0.00 0.21 0.00 0.00 52.86 55.55 3kn3 s ASN 206 Cb -0.42 -2.53 1.02 0.00 -0.55 0.00 0.00 41.25 38.78 3kn3 s ASN 206 CO 0.46 -1.52 1.80 1.55 -2.79 0.00 0.00 177.10 176.60 3kn3 h PRO 207 N 12.19 0.00 -0.09 0.43 0.13 -1.92 -1.33 132.00 141.41 3kn3 h PRO 207 Ca -0.36 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.63 3kn3 h PRO 207 Cb 1.18 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.30 3kn3 h PRO 207 CO 1.00 0.00 -0.54 -0.22 -0.23 0.00 0.00 178.00 178.01 3kn3 h LYS 208 N 0.00 0.28 -0.01 0.86 3.64 -1.97 -3.17 116.57 116.19 3kn3 h LYS 208 Ca 0.00 -0.17 0.00 0.00 -1.27 0.00 0.00 60.65 59.21 3kn3 h LYS 208 Cb 0.52 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.36 3kn3 h LYS 208 CO 0.00 0.75 -0.25 2.89 -2.27 0.00 0.00 179.45 180.57 3kn3 n ARG 209 N -3.92 1.60 -3.64 1.90 1.85 -0.92 -4.76 116.66 108.76 3kn3 n ARG 209 Ca -0.02 -0.99 -0.29 0.00 -1.00 0.00 0.00 57.85 55.55 3kn3 n ARG 209 Cb 0.58 -1.29 -0.13 0.00 -1.05 0.00 0.00 32.46 30.57 3kn3 n ARG 209 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3kn3 h GLU 211 N 6.66 0.27 -0.46 0.00 4.39 -1.86 -2.50 114.58 121.08 3kn3 h GLU 211 Ca 0.03 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.72 3kn3 h GLU 211 Cb 0.93 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 29.52 3kn3 h GLU 211 CO 0.43 0.18 0.00 1.63 -1.16 0.00 0.00 179.01 180.09 3kn3 n LYS 212 N -4.47 3.43 -2.49 2.33 4.76 -1.26 -4.90 118.16 115.56 3kn3 n LYS 212 Ca 0.06 -2.72 -0.40 0.00 -2.87 0.00 0.00 58.31 52.37 3kn3 n LYS 212 Cb 0.31 -1.78 -0.04 0.00 -1.84 0.00 0.00 35.03 31.68 3kn3 n LYS 212 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3kn3 s ALA 213 N -2.04 3.40 -1.23 7.82 0.00 -0.94 -4.96 121.76 123.81 3kn3 s ALA 213 Ca 0.43 0.87 -0.19 0.00 0.00 0.00 0.00 51.96 53.06 3kn3 s ALA 213 Cb 0.30 -3.33 0.06 0.00 0.00 0.00 0.00 23.12 20.15 3kn3 s ALA 213 CO 0.17 -0.16 1.68 0.34 0.00 0.00 0.00 175.76 177.79 3kn3 s ASP 214 N -0.67 6.71 0.25 0.00 2.15 -1.26 -4.82 116.67 119.02 3kn3 s ASP 214 Ca 0.46 -2.19 -0.03 0.00 0.43 0.00 0.00 52.55 51.22 3kn3 s ASP 214 Cb -0.31 -2.58 0.29 0.00 -0.30 0.00 0.00 42.92 40.02 3kn3 s ASP 214 CO 0.39 -1.31 1.76 0.22 -0.17 0.00 0.00 175.17 176.07 3kn3 h TYR 215 N 8.16 0.93 -0.22 -5.34 3.20 -1.92 -1.68 116.97 120.10 3kn3 h TYR 215 Ca 0.38 -0.12 0.04 0.00 3.14 0.00 0.00 58.73 62.18 3kn3 h TYR 215 Cb 0.90 -0.26 -0.04 0.00 1.54 0.00 0.00 36.73 38.87 3kn3 h TYR 215 CO 1.39 0.82 -0.04 0.87 -1.64 0.00 0.00 178.16 179.55 3kn3 h LYS 216 N 0.83 0.01 -0.38 1.82 1.57 -2.00 -1.02 116.57 117.41 3kn3 h LYS 216 Ca 0.17 -0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.87 3kn3 h LYS 216 Cb 0.41 -0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.69 3kn3 h LYS 216 CO 0.01 0.01 -0.08 0.78 -0.57 0.00 0.00 179.45 179.60 3kn3 h GLY 217 N 0.01 0.69 0.89 3.86 0.00 -1.92 -1.34 103.07 105.26 3kn3 h GLY 217 Ca 0.11 -0.47 -0.03 0.00 0.00 0.00 0.00 47.33 46.93 3kn3 h GLY 217 CO -0.22 0.44 0.06 0.00 0.00 0.00 0.00 176.54 176.82 3kn3 h ALA 218 N 1.33 0.40 -0.12 3.60 0.00 -1.00 -1.59 119.26 121.89 3kn3 h ALA 218 Ca 0.11 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 3kn3 h ALA 218 Cb 0.49 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 3kn3 h ALA 218 CO 0.03 0.08 0.07 -0.22 0.00 0.00 0.00 179.25 179.21 3kn3 h LYS 219 N 0.33 0.16 -0.83 0.00 3.64 -0.99 0.83 116.57 119.71 3kn3 h LYS 219 Ca 0.09 -0.01 0.04 0.00 -1.27 0.00 0.00 60.65 59.50 3kn3 h LYS 219 Cb 0.32 -0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 32.05 3kn3 h LYS 219 CO 0.00 0.15 0.52 0.37 -2.27 0.00 0.00 179.45 178.23 3kn3 h GLN 220 N 0.13 0.96 -0.21 1.90 4.15 -1.16 0.04 115.11 120.92 3kn3 h GLN 220 Ca 0.04 -0.06 -0.04 0.00 0.77 0.00 0.00 58.65 59.37 3kn3 h GLN 220 Cb 0.03 -0.22 -0.01 0.00 0.21 0.00 0.00 27.48 27.50 3kn3 h GLN 220 CO -0.01 0.64 -0.02 0.35 -1.93 0.00 0.00 178.83 177.86 3kn3 h PHE 221 N 0.99 0.41 -0.78 3.99 3.57 -1.03 -2.14 116.94 121.96 3kn3 h PHE 221 Ca 0.34 -0.08 0.03 0.00 3.53 0.00 0.00 57.97 61.79 3kn3 h PHE 221 Cb 0.08 -0.11 -0.05 0.00 2.79 0.00 0.00 35.95 38.66 3kn3 h PHE 221 CO -0.03 0.59 0.50 0.82 -2.23 0.00 0.00 178.31 177.96 3kn3 h ILE 222 N 0.12 1.13 -0.73 1.41 2.04 -0.29 -0.43 117.51 120.76 3kn3 h ILE 222 Ca 0.06 -0.34 -0.02 0.00 1.00 0.00 0.00 64.86 65.56 3kn3 h ILE 222 Cb 0.44 0.06 -0.03 0.00 -0.74 0.00 0.00 36.82 36.54 3kn3 h ILE 222 CO 0.01 0.18 0.37 0.44 0.00 0.00 0.00 178.15 179.15 3kn3 h ASP 223 N 0.98 0.95 -0.64 1.72 3.32 -0.98 -2.95 116.42 118.82 3kn3 h ASP 223 Ca 0.31 -0.12 -0.08 0.00 0.02 0.00 0.00 57.03 57.15 3kn3 h ASP 223 Cb -0.01 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 39.27 3kn3 h ASP 223 CO -0.10 0.80 0.08 -0.25 -1.72 0.00 0.00 179.24 178.05 3kn3 h TRP 224 N 1.02 1.17 0.00 4.55 7.01 -0.67 -2.42 115.95 126.61 3kn3 h TRP 224 Ca 0.25 -0.17 -0.02 0.00 2.11 0.00 0.00 58.89 61.06 3kn3 h TRP 224 Cb 0.10 -0.32 -0.00 0.00 -2.10 0.00 0.00 29.16 26.84 3kn3 h TRP 224 CO 0.01 0.99 -0.09 0.97 -2.79 0.00 0.00 178.44 177.53 3kn3 h ILE 225 N 1.02 0.19 -0.38 2.65 2.10 -0.93 -0.76 117.51 121.40 3kn3 h ILE 225 Ca 0.19 -0.88 0.00 0.00 1.08 0.00 0.00 64.86 65.25 3kn3 h ILE 225 Cb 0.48 1.74 0.00 0.00 -1.09 0.00 0.00 36.82 37.95 3kn3 h ILE 225 CO 0.02 0.09 0.00 1.33 -1.08 0.00 0.00 178.15 178.50 3kn3 n VAL 226 N -3.18 2.25 -2.06 2.19 0.24 -1.17 -4.45 118.33 112.14 3kn3 n VAL 226 Ca 0.01 -1.62 -0.33 0.00 -2.04 0.00 0.00 64.34 60.36 3kn3 n VAL 226 Cb 0.41 -0.15 0.01 0.00 -1.47 0.00 0.00 33.84 32.64 3kn3 n VAL 226 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 3kn3 s SER 227 N -1.47 5.82 0.22 -1.34 1.04 -0.29 -4.86 113.70 112.81 3kn3 s SER 227 Ca 0.44 1.81 -0.08 0.00 0.48 0.00 0.00 55.95 58.61 3kn3 s SER 227 Cb 0.34 -2.53 0.31 0.00 0.10 0.00 0.00 66.02 64.24 3kn3 s SER 227 CO 0.13 -1.14 1.79 -0.33 0.98 0.00 0.00 173.24 174.66 3kn3 h GLU 228 N 0.47 0.61 0.00 4.02 5.08 -1.91 -1.46 114.58 121.40 3kn3 h GLU 228 Ca -0.47 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 57.85 3kn3 h GLU 228 Cb 1.22 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 30.33 3kn3 h GLU 228 CO 0.58 0.40 0.00 1.17 -1.00 0.00 0.00 179.01 180.16 3kn3 n LYS 229 N -4.84 0.00 0.00 2.33 4.81 -1.26 -2.56 118.16 116.64 3kn3 n LYS 229 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.54 3kn3 n LYS 229 Cb 0.24 -0.98 0.00 0.00 0.02 0.00 0.00 35.03 34.31 3kn3 n LYS 229 CO 0.00 0.00 0.00 1.04 1.17 0.00 0.00 177.40 179.61 3kn3 n GLN 231 N -0.26 0.00 0.02 1.64 1.13 -0.55 -2.52 117.38 116.84 3kn3 n GLN 231 Ca 0.00 0.00 -0.10 0.00 -1.94 0.00 0.00 57.00 54.96 3kn3 n GLN 231 Cb 0.00 0.00 -0.04 0.00 0.11 0.00 0.00 30.24 30.31 3kn3 n GLN 231 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3kn3 h ALA 232 N 0.00 -0.10 -0.64 -1.58 0.00 -1.76 0.43 119.26 115.60 3kn3 h ALA 232 Ca 0.00 0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.86 3kn3 h ALA 232 Cb 0.00 0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 3kn3 h ALA 232 CO 0.00 -0.61 0.07 0.93 0.00 0.00 0.00 179.25 179.64 3kn3 h GLU 233 N -0.20 1.09 -0.59 0.00 5.08 -1.79 -1.08 114.58 117.09 3kn3 h GLU 233 Ca 0.07 -0.31 -0.08 0.00 -1.00 0.00 0.00 59.36 58.04 3kn3 h GLU 233 Cb 0.30 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.41 3kn3 h GLU 233 CO -0.19 1.02 0.04 0.82 -1.00 0.00 0.00 179.01 179.70 3kn3 h ILE 234 N 1.01 1.26 -0.79 3.13 2.04 -1.73 -1.10 117.51 121.33 3kn3 h ILE 234 Ca 0.19 -1.05 -0.01 0.00 1.00 0.00 0.00 64.86 64.99 3kn3 h ILE 234 Cb 0.48 0.76 -0.04 0.00 -0.74 0.00 0.00 36.82 37.28 3kn3 h ILE 234 CO 0.02 0.38 0.46 0.00 0.00 0.00 0.00 178.15 179.01 3kn3 h ALA 235 N 1.13 1.01 0.00 1.87 0.00 0.15 -2.27 119.26 121.15 3kn3 h ALA 235 Ca 0.18 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 3kn3 h ALA 235 Cb 0.47 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 3kn3 h ALA 235 CO 0.02 0.49 -0.11 -0.97 0.00 0.00 0.00 179.25 178.68 3kn3 h ASN 236 N 1.09 0.00 -0.29 0.00 -0.73 -0.70 -2.86 115.58 112.09 3kn3 h ASN 236 Ca 0.28 0.00 -0.15 0.00 1.87 0.00 0.00 56.30 58.30 3kn3 h ASN 236 Cb -0.01 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 38.57 3kn3 h ASN 236 CO -0.05 0.11 -0.37 0.15 -0.37 0.00 0.00 177.43 176.90 3kn3 h PHE 237 N 0.00 0.99 -0.03 0.67 3.57 -0.61 -3.51 116.94 118.02 3kn3 h PHE 237 Ca -0.00 -0.29 0.00 0.00 3.53 0.00 0.00 57.97 61.21 3kn3 h PHE 237 Cb 0.45 -0.21 0.00 0.00 2.79 0.00 0.00 35.95 38.98 3kn3 h PHE 237 CO 0.00 1.07 0.00 0.36 -2.23 0.00 0.00 178.31 177.51