#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kn3 s ALA 2 N 0.00 3.49 0.16 0.00 0.00 -1.26 -4.92 121.76 119.23 3kn3 s ALA 2 Ca 0.00 1.22 0.00 0.00 0.00 0.00 0.00 51.96 53.18 3kn3 s ALA 2 Cb 0.00 -3.47 -0.04 0.00 0.00 0.00 0.00 23.12 19.61 3kn3 s ALA 2 CO 0.00 -0.59 0.04 -1.83 0.00 0.00 0.00 175.76 173.38 3kn3 s GLU 3 N -1.64 1.03 -0.07 0.00 -1.05 -1.26 -0.55 118.70 115.16 3kn3 s GLU 3 Ca 0.49 -1.50 0.02 0.00 -0.15 0.00 0.00 54.97 53.83 3kn3 s GLU 3 Cb -0.39 0.03 0.02 0.00 -0.44 0.00 0.00 34.13 33.35 3kn3 s GLU 3 CO 0.51 -0.22 -0.11 -1.17 0.95 0.00 0.00 175.26 175.22 3kn3 s LEU 4 N -3.11 1.55 0.43 1.83 2.96 -0.08 -4.87 118.68 117.38 3kn3 s LEU 4 Ca 0.25 -0.28 0.05 0.00 -0.22 0.00 0.00 54.13 53.92 3kn3 s LEU 4 Cb 0.07 -0.79 0.01 0.00 0.50 0.00 0.00 46.19 45.97 3kn3 s LEU 4 CO 0.04 0.00 0.61 -0.13 -1.32 0.00 0.00 176.35 175.54 3kn3 s ARG 5 N 0.85 2.90 -0.16 1.98 0.52 -1.26 -1.33 118.95 122.44 3kn3 s ARG 5 Ca -0.11 -0.92 -0.06 0.00 -0.52 0.00 0.00 55.73 54.12 3kn3 s ARG 5 Cb -0.15 -2.68 0.08 0.00 0.52 0.00 0.00 34.95 32.72 3kn3 s ARG 5 CO 0.02 -0.27 0.34 0.00 0.02 0.00 0.00 175.30 175.41 3kn3 s ALA 7 N -2.43 -0.86 0.09 2.13 0.00 -0.54 -0.69 121.76 119.46 3kn3 s ALA 7 Ca 0.51 1.23 0.01 0.00 0.00 0.00 0.00 51.96 53.71 3kn3 s ALA 7 Cb -0.10 -1.17 -0.00 0.00 0.00 0.00 0.00 23.12 21.85 3kn3 s ALA 7 CO 0.35 -0.69 0.02 -2.37 0.00 0.00 0.00 175.76 173.07 3kn3 n THR 8 N 5.34 0.00 -4.37 0.00 5.66 0.45 -1.06 114.28 120.31 3kn3 n THR 8 Ca -0.08 -0.49 -0.32 0.00 -3.05 0.00 0.00 64.05 60.11 3kn3 n THR 8 Cb 0.50 0.15 -0.10 0.00 -1.55 0.00 0.00 70.33 69.33 3kn3 n THR 8 CO 0.00 0.00 0.00 0.28 -3.05 0.00 0.00 175.07 172.30 3kn3 s THR 9 N -1.69 3.90 0.26 1.09 -1.32 -1.23 -1.26 115.64 115.38 3kn3 s THR 9 Ca 0.03 -0.69 -0.03 0.00 -1.21 0.00 0.00 61.69 59.79 3kn3 s THR 9 Cb 0.00 -2.72 0.26 0.00 -1.51 0.00 0.00 72.50 68.53 3kn3 s THR 9 CO 0.02 0.39 1.87 0.00 -2.21 0.00 0.00 174.62 174.68 3kn3 h THR 10 N 3.65 1.05 -0.24 5.08 1.03 -1.26 0.44 112.91 122.65 3kn3 h THR 10 Ca -0.49 -0.37 -0.11 0.00 -0.01 0.00 0.00 66.41 65.43 3kn3 h THR 10 Cb 1.17 -0.13 -0.01 0.00 -1.07 0.00 0.00 68.15 68.11 3kn3 h THR 10 CO 0.55 0.20 -0.33 0.77 -0.01 0.00 0.00 175.52 176.70 3kn3 h SER 11 N 1.09 0.53 -0.23 0.00 4.64 -1.96 -2.65 113.55 114.96 3kn3 h SER 11 Ca 0.43 -0.21 -0.02 0.00 -0.47 0.00 0.00 61.79 61.51 3kn3 h SER 11 Cb 0.22 -0.15 -0.01 0.00 -0.31 0.00 0.00 62.40 62.15 3kn3 h SER 11 CO -0.19 0.83 0.06 0.74 -0.87 0.00 0.00 176.83 177.41 3kn3 h THR 12 N 0.44 1.20 -0.92 2.95 2.02 -1.57 -2.71 112.91 114.31 3kn3 h THR 12 Ca 0.05 -0.65 0.16 0.00 0.77 0.00 0.00 66.41 66.73 3kn3 h THR 12 Cb 0.79 1.19 -0.08 0.00 -1.74 0.00 0.00 68.15 68.32 3kn3 h THR 12 CO 0.06 0.21 0.59 -0.78 0.37 0.00 0.00 175.52 175.97 3kn3 h ASP 13 N 0.21 0.66 1.29 4.18 3.58 -0.88 -2.35 116.42 123.10 3kn3 h ASP 13 Ca 0.07 0.05 0.00 0.00 0.42 0.00 0.00 57.03 57.57 3kn3 h ASP 13 Cb 0.26 -0.08 0.00 0.00 1.72 0.00 0.00 39.33 41.23 3kn3 h ASP 13 CO -0.00 0.31 0.00 0.78 -2.88 0.00 0.00 179.24 177.45 3kn3 h ASN 14 N 0.69 0.00 0.93 2.28 2.35 -1.14 -2.45 115.58 118.24 3kn3 h ASN 14 Ca 0.47 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 56.22 3kn3 h ASN 14 Cb 0.79 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.16 3kn3 h ASN 14 CO -0.23 0.00 -0.03 0.71 -1.65 0.00 0.00 177.43 176.23 3kn3 h THR 15 N 0.00 0.08 0.00 2.81 1.35 -1.35 -3.47 112.91 112.33 3kn3 h THR 15 Ca 0.00 -0.55 0.00 0.00 -0.55 0.00 0.00 66.41 65.31 3kn3 h THR 15 Cb 0.64 1.50 0.00 0.00 -1.73 0.00 0.00 68.15 68.57 3kn3 h THR 15 CO 0.00 0.03 0.00 0.61 -0.25 0.00 0.00 175.52 175.91 3kn3 n GLY 16 N -0.04 2.09 0.30 5.82 0.00 -0.92 -4.92 105.19 107.52 3kn3 n GLY 16 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.10 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 -0.46 -0.92 0.99 5.85 -1.82 -0.95 115.31 118.00 3kn3 h LEU 17 Ca 0.00 0.23 -0.08 0.00 0.84 0.00 0.00 57.88 58.87 3kn3 h LEU 17 Cb 0.00 0.42 -0.02 0.00 0.37 0.00 0.00 40.66 41.43 3kn3 h LEU 17 CO 0.00 -0.24 -0.04 -0.07 -0.34 0.00 0.00 178.44 177.74 3kn3 h LEU 18 N 0.06 0.72 -1.30 2.25 3.38 -1.87 -1.21 115.31 117.34 3kn3 h LEU 18 Ca 0.47 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 58.25 3kn3 h LEU 18 Cb 0.85 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.41 3kn3 h LEU 18 CO -0.78 0.82 0.00 0.44 0.09 0.00 0.00 178.44 179.01 3kn3 h ASP 19 N 0.69 0.00 0.00 -0.43 5.19 -1.55 0.39 116.42 120.71 3kn3 h ASP 19 Ca 0.13 0.00 -0.07 0.00 -0.62 0.00 0.00 57.03 56.47 3kn3 h ASP 19 Cb 0.49 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.99 3kn3 h ASP 19 CO 0.02 0.00 -0.39 0.58 -3.12 0.00 0.00 179.24 176.33 3kn3 h VAL 20 N 0.00 1.34 -0.85 -1.35 2.07 -0.69 -3.39 116.25 113.37 3kn3 h VAL 20 Ca 0.00 -2.15 -0.02 0.00 0.82 0.00 0.00 66.70 65.35 3kn3 h VAL 20 Cb 0.45 2.68 -0.04 0.00 -1.52 0.00 0.00 31.29 32.85 3kn3 h VAL 20 CO 0.00 0.45 0.45 -0.07 0.02 0.00 0.00 177.57 178.43 3kn3 h LEU 21 N -1.00 1.08 -0.10 2.57 3.38 -0.98 -3.27 115.31 116.99 3kn3 h LEU 21 Ca -0.10 -0.11 -0.00 0.00 0.09 0.00 0.00 57.88 57.76 3kn3 h LEU 21 Cb 1.00 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 41.47 3kn3 h LEU 21 CO -0.06 0.88 0.06 0.00 0.09 0.00 0.00 178.44 179.40 3kn3 h ALA 22 N 1.24 0.13 -0.70 1.53 0.00 -1.12 0.02 119.26 120.36 3kn3 h ALA 22 Ca 0.30 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 55.10 3kn3 h ALA 22 Cb 0.05 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 3kn3 h ALA 22 CO -0.05 -0.34 0.21 -1.35 0.00 0.00 0.00 179.25 177.72 3kn3 h PRO 23 N 0.07 1.08 -0.52 0.00 0.11 -1.75 -0.87 132.00 130.12 3kn3 h PRO 23 Ca 0.03 -0.23 -0.06 0.00 0.11 0.00 0.00 66.00 65.86 3kn3 h PRO 23 Cb 0.06 -0.16 -0.02 0.00 0.11 0.00 0.00 31.00 30.99 3kn3 h PRO 23 CO -0.01 0.93 0.09 0.00 -0.21 0.00 0.00 178.00 178.80 3kn3 h ALA 24 N 1.19 1.17 -0.24 -0.75 0.00 -1.52 -1.67 119.26 117.44 3kn3 h ALA 24 Ca 0.22 -0.23 -0.15 0.00 0.00 0.00 0.00 54.91 54.75 3kn3 h ALA 24 Cb 0.31 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.89 3kn3 h ALA 24 CO -0.01 0.56 -0.46 -0.92 0.00 0.00 0.00 179.25 178.42 3kn3 h TYR 25 N 0.79 0.91 -0.98 0.00 3.20 -0.67 -2.21 116.97 118.00 3kn3 h TYR 25 Ca 0.17 -0.33 0.04 0.00 3.14 0.00 0.00 58.73 61.75 3kn3 h TYR 25 Cb 0.35 -0.17 -0.06 0.00 1.54 0.00 0.00 36.73 38.39 3kn3 h TYR 25 CO 0.02 1.11 0.64 -0.22 -1.64 0.00 0.00 178.16 178.07 3kn3 h LYS 26 N 0.45 1.20 -0.58 1.82 1.63 -1.01 -1.35 116.57 118.72 3kn3 h LYS 26 Ca 0.01 -0.07 -0.09 0.00 -0.85 0.00 0.00 60.65 59.64 3kn3 h LYS 26 Cb 1.06 -0.27 -0.02 0.00 -0.60 0.00 0.00 32.23 32.40 3kn3 h LYS 26 CO 0.10 0.79 -0.01 -0.22 -3.45 0.00 0.00 179.45 176.67 3kn3 h LYS 27 N 1.23 1.02 0.00 1.90 3.64 -1.18 -0.07 116.57 123.11 3kn3 h LYS 27 Ca 0.39 -0.33 0.00 0.00 -1.27 0.00 0.00 60.65 59.44 3kn3 h LYS 27 Cb 0.01 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 31.74 3kn3 h LYS 27 CO -0.13 1.02 -0.16 -0.44 -2.27 0.00 0.00 179.45 177.46 3kn3 h ASP 28 N 0.91 0.00 0.00 4.20 3.45 -0.93 -3.41 116.42 120.65 3kn3 h ASP 28 Ca 0.16 -0.03 0.00 0.00 0.43 0.00 0.00 57.03 57.60 3kn3 h ASP 28 Cb 0.56 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.33 3kn3 h ASP 28 CO 0.03 0.01 0.00 1.07 -1.57 0.00 0.00 179.24 178.78 3kn3 n THR 29 N -2.60 0.00 -0.90 0.35 5.66 -0.55 -5.03 114.28 111.21 3kn3 n THR 29 Ca 0.04 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.04 3kn3 n THR 29 Cb 0.48 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.26 3kn3 n THR 29 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3kn3 n GLY 30 N 0.05 0.76 3.78 1.09 0.00 -0.04 -5.01 105.19 105.81 3kn3 n GLY 30 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 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 -3.27 5.22 -0.21 1.61 1.01 -1.26 -4.32 120.40 119.18 3kn3 s VAL 31 Ca 0.00 0.68 -0.20 0.00 0.00 0.00 0.00 61.98 62.46 3kn3 s VAL 31 Cb 0.00 -3.67 -0.03 0.00 0.00 0.00 0.00 36.38 32.69 3kn3 s VAL 31 CO 0.00 0.46 0.60 -1.81 0.00 0.00 0.00 175.10 174.35 3kn3 s ASP 32 N -0.13 6.63 -0.10 3.32 1.01 0.29 -3.50 116.67 124.18 3kn3 s ASP 32 Ca 0.20 0.76 -0.30 0.00 0.71 0.00 0.00 52.55 53.93 3kn3 s ASP 32 Cb -0.14 -2.33 -0.02 0.00 1.01 0.00 0.00 42.92 41.43 3kn3 s ASP 32 CO 0.08 -0.26 1.19 -0.22 0.21 0.00 0.00 175.17 176.17 3kn3 s LEU 33 N 1.93 4.24 -0.13 1.23 2.96 -1.26 -0.90 118.68 126.74 3kn3 s LEU 33 Ca 0.27 1.73 0.02 0.00 -0.22 0.00 0.00 54.13 55.93 3kn3 s LEU 33 Cb -0.16 -3.55 0.02 0.00 0.50 0.00 0.00 46.19 43.00 3kn3 s LEU 33 CO 0.10 -0.62 -0.18 -0.54 -1.32 0.00 0.00 176.35 173.79 3kn3 s LYS 34 N 2.58 2.57 0.11 1.98 -0.14 -0.44 -4.94 119.74 121.46 3kn3 s LYS 34 Ca 0.54 -0.68 0.05 0.00 -1.36 0.00 0.00 55.97 54.52 3kn3 s LYS 34 Cb -0.23 -2.18 -0.04 0.00 -1.68 0.00 0.00 37.83 33.71 3kn3 s LYS 34 CO 0.19 -0.10 -0.13 1.67 -0.76 0.00 0.00 175.35 176.22 3kn3 s TRP 35 N 1.07 1.28 -0.07 3.18 -2.14 -1.26 -4.30 118.94 116.70 3kn3 s TRP 35 Ca -0.03 -0.56 0.05 0.00 2.66 0.00 0.00 56.10 58.22 3kn3 s TRP 35 Cb -0.14 -0.69 -0.00 0.00 -3.10 0.00 0.00 33.47 29.53 3kn3 s TRP 35 CO -0.05 0.09 -0.23 0.08 -2.66 0.00 0.00 176.95 174.19 3kn3 s VAL 36 N -2.01 1.89 -0.31 -0.66 1.01 -1.26 -4.98 120.40 114.07 3kn3 s VAL 36 Ca 0.06 -0.96 -0.07 0.00 0.00 0.00 0.00 61.98 61.01 3kn3 s VAL 36 Cb -0.06 -1.62 0.02 0.00 0.00 0.00 0.00 36.38 34.73 3kn3 s VAL 36 CO 0.02 0.53 0.09 0.00 0.00 0.00 0.00 175.10 175.74 3kn3 s ALA 37 N 0.06 3.06 0.00 5.51 0.00 -1.26 -0.41 121.76 128.73 3kn3 s ALA 37 Ca -0.09 -1.57 0.00 0.00 0.00 0.00 0.00 51.96 50.31 3kn3 s ALA 37 Cb -0.15 -2.21 0.00 0.00 0.00 0.00 0.00 23.12 20.77 3kn3 s ALA 37 CO 0.05 -1.09 0.00 1.33 0.00 0.00 0.00 175.76 176.05 3kn3 n VAL 38 N 4.85 0.00 -1.23 0.00 0.24 -0.39 -4.53 118.33 117.27 3kn3 n VAL 38 Ca -0.14 0.00 -0.31 0.00 -2.04 0.00 0.00 64.34 61.86 3kn3 n VAL 38 Cb 0.47 0.00 0.11 0.00 -1.47 0.00 0.00 33.84 32.94 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 -0.15 1.66 0.09 7.63 0.00 -1.26 -0.92 107.32 114.37 3kn3 s GLY 39 Ca 0.00 0.17 -0.27 0.00 0.00 0.00 0.00 44.72 44.62 3kn3 s GLY 39 CO 0.00 0.56 1.69 -0.84 0.00 0.00 0.00 173.10 174.51 3kn3 h THR 40 N -1.28 0.70 -0.49 0.90 2.02 -1.99 0.18 112.91 112.95 3kn3 h THR 40 Ca -0.45 0.00 0.04 0.00 0.77 0.00 0.00 66.41 66.77 3kn3 h THR 40 Cb 1.25 0.70 -0.04 0.00 -1.74 0.00 0.00 68.15 68.31 3kn3 h THR 40 CO 0.52 0.00 0.25 1.23 0.37 0.00 0.00 175.52 177.90 3kn3 h GLY 41 N -0.38 0.69 1.68 2.16 0.00 -1.99 -1.53 103.07 103.70 3kn3 h GLY 41 Ca -0.03 -0.18 -0.07 0.00 0.00 0.00 0.00 47.33 47.05 3kn3 h GLY 41 CO 0.04 0.12 -0.19 3.43 0.00 0.00 0.00 176.54 179.94 3kn3 h ASN 42 N 0.50 0.37 -0.23 0.19 -0.26 -1.90 0.19 115.58 114.45 3kn3 h ASN 42 Ca 0.21 -0.10 -0.01 0.00 -0.56 0.00 0.00 56.30 55.84 3kn3 h ASN 42 Cb 0.11 -0.10 -0.01 0.00 -1.06 0.00 0.00 38.32 37.26 3kn3 h ASN 42 CO -0.14 0.58 0.10 0.00 -1.06 0.00 0.00 177.43 176.91 3kn3 h ALA 43 N 1.46 0.29 -0.56 -0.83 0.00 0.07 -1.01 119.26 118.69 3kn3 h ALA 43 Ca 0.06 -0.10 -0.07 0.00 0.00 0.00 0.00 54.91 54.80 3kn3 h ALA 43 Cb 0.54 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 3kn3 h ALA 43 CO 0.04 -0.13 0.07 -0.07 0.00 0.00 0.00 179.25 179.15 3kn3 h LEU 44 N 0.23 0.90 -2.04 0.00 3.38 -1.06 -2.62 115.31 114.10 3kn3 h LEU 44 Ca 0.08 -0.27 0.00 0.00 0.09 0.00 0.00 57.88 57.78 3kn3 h LEU 44 Cb 0.14 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.65 3kn3 h LEU 44 CO -0.01 0.94 0.01 0.50 0.09 0.00 0.00 178.44 179.97 3kn3 h LYS 45 N 0.82 0.00 -0.38 1.13 3.64 -0.41 0.33 116.57 121.70 3kn3 h LYS 45 Ca 0.17 0.00 -0.13 0.00 -1.27 0.00 0.00 60.65 59.42 3kn3 h LYS 45 Cb 0.44 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.25 3kn3 h LYS 45 CO 0.01 0.00 -0.27 -0.07 -2.27 0.00 0.00 179.45 176.85 3kn3 h LEU 46 N 0.00 0.83 -0.64 5.20 3.38 -0.80 -0.78 115.31 122.51 3kn3 h LEU 46 Ca 0.00 -0.32 -0.15 0.00 0.09 0.00 0.00 57.88 57.50 3kn3 h LEU 46 Cb 0.02 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.53 3kn3 h LEU 46 CO -0.00 1.06 -0.55 1.23 0.09 0.00 0.00 178.44 180.26 3kn3 h GLY 47 N 0.94 0.41 1.46 0.83 0.00 -1.16 0.19 103.07 105.73 3kn3 h GLY 47 Ca 0.08 -0.48 -0.09 0.00 0.00 0.00 0.00 47.33 46.85 3kn3 h GLY 47 CO 0.07 0.43 -0.13 -2.09 0.00 0.00 0.00 176.54 174.82 3kn3 h GLU 48 N 0.29 0.65 -0.24 4.80 4.81 -0.25 -2.67 114.58 121.96 3kn3 h GLU 48 Ca 0.00 -0.21 0.00 0.00 -0.13 0.00 0.00 59.36 59.03 3kn3 h GLU 48 Cb 1.06 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.38 3kn3 h GLU 48 CO 0.09 0.76 0.00 0.09 -0.73 0.00 0.00 179.01 179.22 3kn3 n ASN 49 N -4.17 2.04 -2.40 1.04 4.13 -0.37 -4.93 115.26 110.60 3kn3 n ASN 49 Ca 0.01 -1.80 -0.16 0.00 1.68 0.00 0.00 54.58 54.30 3kn3 n ASN 49 Cb 0.35 -0.15 0.04 0.00 -1.54 0.00 0.00 39.78 38.48 3kn3 n ASN 49 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3kn3 n ASP 51 N -1.42 0.55 -4.13 0.00 8.00 0.04 -4.92 116.55 114.67 3kn3 n ASP 51 Ca -0.04 0.22 -0.22 0.00 0.71 0.00 0.00 54.79 55.46 3kn3 n ASP 51 Cb 0.56 0.86 -0.09 0.00 -0.02 0.00 0.00 41.12 42.43 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 -3.24 0.60 -0.15 2.53 -7.23 -1.23 -5.01 120.40 106.68 3kn3 s VAL 52 Ca -0.04 -2.00 -0.02 0.00 -1.81 0.00 0.00 61.98 58.11 3kn3 s VAL 52 Cb 0.10 -2.50 -0.24 0.00 0.56 0.00 0.00 36.38 34.31 3kn3 s VAL 52 CO 0.83 0.00 0.26 0.47 -0.31 0.00 0.00 175.10 176.35 3kn3 n ASP 53 N -1.04 1.91 -4.12 4.85 8.00 0.13 -4.80 116.55 121.48 3kn3 n ASP 53 Ca -0.03 0.15 -0.08 0.00 0.71 0.00 0.00 54.79 55.54 3kn3 n ASP 53 Cb 0.65 -0.63 -0.10 0.00 -0.02 0.00 0.00 41.12 41.02 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 -2.55 0.27 0.01 2.53 -7.23 -0.95 -0.93 120.40 111.55 3kn3 s VAL 54 Ca -0.23 -1.86 0.06 0.00 -1.81 0.00 0.00 61.98 58.14 3kn3 s VAL 54 Cb 0.07 -1.70 -0.02 0.00 0.56 0.00 0.00 36.38 35.30 3kn3 s VAL 54 CO 0.74 -0.83 -0.18 -0.69 -0.31 0.00 0.00 175.10 173.83 3kn3 s VAL 55 N -3.90 1.45 -0.27 1.32 1.01 -1.26 -1.46 120.40 117.29 3kn3 s VAL 55 Ca 0.13 -0.91 -0.04 0.00 0.00 0.00 0.00 61.98 61.16 3kn3 s VAL 55 Cb 0.07 -1.23 0.10 0.00 0.00 0.00 0.00 36.38 35.32 3kn3 s VAL 55 CO -0.06 0.31 0.14 0.12 0.00 0.00 0.00 175.10 175.61 3kn3 s PHE 56 N -0.57 0.21 0.18 5.22 5.36 -0.22 -4.22 117.98 123.94 3kn3 s PHE 56 Ca 0.06 -0.70 0.03 0.00 -0.96 0.00 0.00 56.93 55.37 3kn3 s PHE 56 Cb -0.08 -0.81 -0.01 0.00 -0.34 0.00 0.00 43.02 41.78 3kn3 s PHE 56 CO 0.00 -0.79 0.11 1.33 -1.46 0.00 0.00 175.22 174.41 3kn3 n VAL 57 N 5.26 0.00 -2.81 3.12 0.24 -0.26 -3.47 118.33 120.41 3kn3 n VAL 57 Ca -0.06 -1.19 -0.11 0.00 -2.04 0.00 0.00 64.34 60.94 3kn3 n VAL 57 Cb 0.44 0.51 0.05 0.00 -1.47 0.00 0.00 33.84 33.37 3kn3 n VAL 57 CO 0.00 0.00 0.00 1.57 -2.14 0.00 0.00 176.83 176.26 3kn3 n HIS 58 N -0.39 -0.69 -3.24 6.34 -0.00 -1.26 -0.24 115.22 115.74 3kn3 n HIS 58 Ca 0.00 -2.71 -0.05 0.00 0.46 0.00 0.00 57.72 55.42 3kn3 n HIS 58 Cb 0.30 0.46 -0.03 0.00 -0.12 0.00 0.00 29.99 30.60 3kn3 n HIS 58 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 3kn3 s ALA 59 N -1.54 -1.67 0.38 1.57 0.00 -1.26 -4.98 121.76 114.25 3kn3 s ALA 59 Ca 0.28 -0.25 0.07 0.00 0.00 0.00 0.00 51.96 52.06 3kn3 s ALA 59 Cb 0.39 -2.50 0.79 0.00 0.00 0.00 0.00 23.12 21.80 3kn3 s ALA 59 CO -0.04 -2.20 1.99 -1.35 0.00 0.00 0.00 175.76 174.17 3kn3 h PRO 60 N 6.88 0.66 -0.08 0.00 0.11 -1.94 -1.61 132.00 136.01 3kn3 h PRO 60 Ca 0.06 -0.04 0.01 0.00 0.11 0.00 0.00 66.00 66.14 3kn3 h PRO 60 Cb 1.13 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 32.07 3kn3 h PRO 60 CO 0.13 0.44 -0.15 0.87 -0.21 0.00 0.00 178.00 179.08 3kn3 h LYS 61 N 0.68 -0.12 -0.00 1.05 1.57 -2.01 -1.90 116.57 115.84 3kn3 h LYS 61 Ca 0.26 0.01 -0.12 0.00 -1.87 0.00 0.00 60.65 58.93 3kn3 h LYS 61 Cb 0.18 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.50 3kn3 h LYS 61 CO -0.08 -0.08 -0.57 -0.39 -0.57 0.00 0.00 179.45 177.76 3kn3 h VAL 62 N -0.13 1.41 -0.72 0.50 -1.51 -1.94 -2.69 116.25 111.17 3kn3 h VAL 62 Ca 0.02 -1.96 0.13 0.00 -1.23 0.00 0.00 66.70 63.66 3kn3 h VAL 62 Cb 0.17 2.05 -0.09 0.00 -2.13 0.00 0.00 31.29 31.30 3kn3 h VAL 62 CO -0.15 0.56 0.28 -0.33 -1.23 0.00 0.00 177.57 176.70 3kn3 h GLU 63 N 0.00 0.42 -0.38 5.19 5.08 -1.08 0.27 114.58 124.09 3kn3 h GLU 63 Ca -0.01 -0.03 -0.09 0.00 -1.00 0.00 0.00 59.36 58.24 3kn3 h GLU 63 Cb 1.01 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 30.16 3kn3 h GLU 63 CO 0.07 0.28 -0.13 -0.07 -1.00 0.00 0.00 179.01 178.17 3kn3 h LEU 64 N 0.44 0.77 -0.44 1.33 3.38 -1.02 -1.77 115.31 117.99 3kn3 h LEU 64 Ca 0.39 -0.38 0.09 0.00 0.09 0.00 0.00 57.88 58.07 3kn3 h LEU 64 Cb 0.56 -0.21 -0.09 0.00 0.09 0.00 0.00 40.66 41.01 3kn3 h LEU 64 CO -0.38 0.98 -0.15 -0.33 0.09 0.00 0.00 178.44 178.65 3kn3 h GLU 65 N 0.56 -0.05 -0.02 1.13 4.39 -1.20 -1.59 114.58 117.80 3kn3 h GLU 65 Ca 0.09 0.00 0.03 0.00 0.34 0.00 0.00 59.36 59.83 3kn3 h GLU 65 Cb 0.66 0.01 -0.05 0.00 -0.10 0.00 0.00 28.75 29.27 3kn3 h GLU 65 CO 0.04 -0.03 -0.30 -0.92 -1.16 0.00 0.00 179.01 176.65 3kn3 h TYR 66 N -0.05 -0.81 -0.21 4.33 3.20 -0.03 0.23 116.97 123.63 3kn3 h TYR 66 Ca 0.21 0.03 0.04 0.00 3.14 0.00 0.00 58.73 62.15 3kn3 h TYR 66 Cb 0.38 0.36 -0.04 0.00 1.54 0.00 0.00 36.73 38.97 3kn3 h TYR 66 CO -0.42 -0.39 -0.06 0.28 -1.64 0.00 0.00 178.16 175.94 3kn3 h VAL 67 N -0.44 0.77 -0.30 1.81 2.07 -1.17 -2.11 116.25 116.89 3kn3 h VAL 67 Ca 0.07 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.66 3kn3 h VAL 67 Cb 0.53 0.77 -0.08 0.00 -1.52 0.00 0.00 31.29 30.99 3kn3 h VAL 67 CO -0.26 0.00 -0.26 -0.08 0.02 0.00 0.00 177.57 176.98 3kn3 h GLU 68 N -0.01 -0.23 0.00 1.57 4.81 -0.71 -1.64 114.58 118.36 3kn3 h GLU 68 Ca 0.10 0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.35 3kn3 h GLU 68 Cb 0.17 0.05 -0.00 0.00 0.63 0.00 0.00 28.75 29.60 3kn3 h GLU 68 CO -0.22 -0.16 -0.00 0.87 -0.73 0.00 0.00 179.01 178.77 3kn3 h LYS 69 N -0.24 0.00 0.00 1.92 6.56 -0.26 -3.45 116.57 121.10 3kn3 h LYS 69 Ca 0.15 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.74 3kn3 h LYS 69 Cb 0.49 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.15 3kn3 h LYS 69 CO -0.44 0.00 0.00 0.41 -2.06 0.00 0.00 179.45 177.36 3kn3 n GLY 70 N -1.09 0.94 0.13 3.86 0.00 -0.62 -5.00 105.19 103.41 3kn3 n GLY 70 Ca -0.03 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.77 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 0.70 -3.50 1.61 0.04 -1.57 -3.43 116.94 110.79 3kn3 h PHE 71 Ca 0.00 -0.51 -0.64 0.00 2.80 0.00 0.00 57.97 59.62 3kn3 h PHE 71 Cb 0.00 -0.03 -0.20 0.00 2.20 0.00 0.00 35.95 37.92 3kn3 h PHE 71 CO 0.00 1.41 -0.83 0.20 -0.60 0.00 0.00 178.31 178.49 3kn3 s GLY 72 N -4.51 1.59 0.25 -1.45 0.00 -1.23 -2.19 107.32 99.79 3kn3 s GLY 72 Ca -0.12 -1.53 0.02 0.00 0.00 0.00 0.00 44.72 43.09 3kn3 s GLY 72 CO 0.87 -1.55 0.05 -0.26 0.00 0.00 0.00 173.10 172.21 3kn3 s ILE 73 N -1.48 0.84 -1.35 0.90 -4.36 -0.58 -4.25 121.20 110.92 3kn3 s ILE 73 Ca 0.17 -2.01 -0.04 0.00 -0.26 0.00 0.00 60.65 58.51 3kn3 s ILE 73 Cb -0.08 -2.52 0.00 0.00 1.25 0.00 0.00 42.46 41.10 3kn3 s ILE 73 CO 0.08 -0.15 0.48 0.47 0.24 0.00 0.00 174.94 176.06 3kn3 n ASP 74 N -0.47 -5.46 -4.64 4.36 10.43 -1.26 -1.18 116.55 118.32 3kn3 n ASP 74 Ca -0.03 -0.23 -0.54 0.00 2.57 0.00 0.00 54.79 56.57 3kn3 n ASP 74 Cb 0.65 -4.31 -0.06 0.00 1.84 0.00 0.00 41.12 39.24 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 -3.49 1.24 -3.58 -1.24 3.00 -1.26 -4.61 116.66 106.73 3kn3 n ARG 75 Ca -0.11 0.45 -0.22 0.00 -0.00 0.00 0.00 57.85 57.98 3kn3 n ARG 75 Cb 0.61 -2.13 -0.15 0.00 0.00 0.00 0.00 32.46 30.79 3kn3 n ARG 75 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.63 178.62 3kn3 s THR 76 N 1.83 -0.20 0.30 5.15 2.01 -0.23 -4.99 115.64 119.52 3kn3 s THR 76 Ca 0.90 -0.05 -0.27 0.00 0.31 0.00 0.00 61.69 62.57 3kn3 s THR 76 Cb -0.97 -0.55 -0.09 0.00 0.01 0.00 0.00 72.50 70.89 3kn3 s THR 76 CO 0.54 -0.18 0.98 -2.84 -0.69 0.00 0.00 174.62 172.43 3kn3 s PRO 77 N 2.23 4.62 0.00 4.92 0.02 -1.26 -1.37 135.00 144.16 3kn3 s PRO 77 Ca 0.04 1.46 0.00 0.00 0.02 0.00 0.00 61.00 62.52 3kn3 s PRO 77 Cb -0.15 -2.96 0.00 0.00 0.02 0.00 0.00 34.50 31.40 3kn3 s PRO 77 CO -0.09 0.29 0.00 0.28 -0.33 0.00 0.00 177.00 177.15 3kn3 n VAL 78 N 0.85 0.00 0.00 3.83 0.31 0.91 -4.96 118.33 119.27 3kn3 n VAL 78 Ca 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.34 3kn3 n VAL 78 Cb 0.48 -0.01 0.00 0.00 -0.91 0.00 0.00 33.84 33.40 3kn3 n VAL 78 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3kn3 n TYR 80 N -0.01 0.00 -3.18 3.52 9.36 0.61 -1.10 117.16 126.35 3kn3 n TYR 80 Ca 0.00 0.00 -0.14 0.00 3.32 0.00 0.00 57.90 61.08 3kn3 n TYR 80 Cb 0.00 0.00 0.07 0.00 -0.63 0.00 0.00 39.34 38.78 3kn3 n TYR 80 CO 0.00 0.00 0.00 -1.71 0.22 0.00 0.00 176.86 175.37 3kn3 n ASN 81 N 0.00 -5.40 -4.68 2.98 5.15 -1.26 -4.38 115.26 107.67 3kn3 n ASN 81 Ca 0.00 -0.65 -0.35 0.00 -0.60 0.00 0.00 54.58 52.99 3kn3 n ASN 81 Cb 0.00 -4.90 0.11 0.00 -0.53 0.00 0.00 39.78 34.45 3kn3 n ASN 81 CO 0.00 0.00 0.00 -0.90 1.40 0.00 0.00 177.26 177.76 3kn3 n ASP 82 N -3.09 1.11 -4.80 1.20 5.75 -1.26 -4.40 116.55 111.05 3kn3 n ASP 82 Ca -0.11 0.65 -0.36 0.00 -0.01 0.00 0.00 54.79 54.96 3kn3 n ASP 82 Cb 0.62 -1.50 -0.06 0.00 -1.03 0.00 0.00 41.12 39.15 3kn3 n ASP 82 CO 0.00 0.00 0.00 -0.36 -0.11 0.00 0.00 177.20 176.73 3kn3 s PHE 83 N -1.91 3.65 0.14 2.11 0.40 0.14 -2.00 117.98 120.51 3kn3 s PHE 83 Ca 0.75 1.53 0.05 0.00 -0.60 0.00 0.00 56.93 58.65 3kn3 s PHE 83 Cb -0.32 -2.73 -0.04 0.00 0.51 0.00 0.00 43.02 40.44 3kn3 s PHE 83 CO 0.49 0.27 -0.11 0.14 0.70 0.00 0.00 175.22 176.71 3kn3 s VAL 84 N -1.59 1.18 -0.19 -0.44 -7.23 0.04 -4.72 120.40 107.46 3kn3 s VAL 84 Ca 0.46 -1.95 -0.09 0.00 -1.81 0.00 0.00 61.98 58.60 3kn3 s VAL 84 Cb -0.17 -1.73 -0.05 0.00 0.56 0.00 0.00 36.38 35.00 3kn3 s VAL 84 CO 0.22 -0.66 0.10 -0.63 -0.31 0.00 0.00 175.10 173.81 3kn3 s ILE 85 N -2.99 5.14 0.20 -0.62 1.09 -0.44 -1.56 121.20 122.02 3kn3 s ILE 85 Ca 0.14 0.09 0.08 0.00 -1.10 0.00 0.00 60.65 59.86 3kn3 s ILE 85 Cb 0.00 -3.33 -0.05 0.00 -1.06 0.00 0.00 42.46 38.03 3kn3 s ILE 85 CO 0.01 0.45 -0.15 0.27 -0.10 0.00 0.00 174.94 175.42 3kn3 s ILE 86 N 0.34 1.75 0.00 2.92 -4.36 -0.13 -0.41 121.20 121.32 3kn3 s ILE 86 Ca 0.06 -2.17 0.00 0.00 -0.26 0.00 0.00 60.65 58.28 3kn3 s ILE 86 Cb -0.12 -2.01 0.00 0.00 1.25 0.00 0.00 42.46 41.58 3kn3 s ILE 86 CO -0.01 -0.55 0.00 0.61 0.24 0.00 0.00 174.94 175.23 3kn3 n GLY 87 N -0.28 -0.61 3.75 6.27 0.00 -0.94 -1.62 105.19 111.76 3kn3 n GLY 87 Ca -0.09 -0.95 -0.30 0.00 0.00 0.00 0.00 46.02 44.68 3kn3 n GLY 87 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kn3 s ASN 88 N 0.00 3.74 0.47 1.61 2.20 -1.26 -1.12 114.94 120.58 3kn3 s ASN 88 Ca 0.00 1.35 0.19 0.00 -0.94 0.00 0.00 52.86 53.46 3kn3 s ASN 88 Cb 0.00 -2.04 1.19 0.00 -2.00 0.00 0.00 41.25 38.40 3kn3 s ASN 88 CO 0.00 -2.45 1.95 -0.65 -2.94 0.00 0.00 177.10 173.01 3kn3 h PRO 89 N -1.42 0.24 -0.84 3.55 0.11 -1.86 -1.42 132.00 130.36 3kn3 h PRO 89 Ca -0.49 -0.01 0.19 0.00 0.11 0.00 0.00 66.00 65.79 3kn3 h PRO 89 Cb 1.29 -0.05 -0.16 0.00 0.11 0.00 0.00 31.00 32.18 3kn3 h PRO 89 CO 0.57 0.16 -0.13 0.43 -0.21 0.00 0.00 178.00 178.82 3kn3 n SER 90 N -4.44 -0.23 0.26 -2.05 7.64 -1.26 -2.09 113.62 111.45 3kn3 n SER 90 Ca 0.12 1.44 0.15 0.00 1.01 0.00 0.00 58.87 61.59 3kn3 n SER 90 Cb 0.56 -0.46 0.55 0.00 -1.01 0.00 0.00 64.21 63.84 3kn3 n SER 90 CO 0.00 0.00 0.00 -0.26 -3.01 0.00 0.00 175.04 171.77 3kn3 h PHE 91 N 0.00 0.00 0.28 1.43 -1.00 -1.58 -3.36 116.94 112.70 3kn3 h PHE 91 Ca 0.44 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 61.21 3kn3 h PHE 91 Cb 0.76 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.33 3kn3 h PHE 91 CO -0.57 0.06 -0.13 1.57 -1.61 0.00 0.00 178.31 177.62 3kn3 h LYS 92 N 0.00 -0.36 -0.98 1.51 2.10 -1.60 -1.48 116.57 115.75 3kn3 h LYS 92 Ca -0.00 0.02 0.21 0.00 -2.00 0.00 0.00 60.65 58.89 3kn3 h LYS 92 Cb 0.65 0.08 -0.11 0.00 -0.90 0.00 0.00 32.23 31.95 3kn3 h LYS 92 CO 0.01 -0.22 0.57 1.96 -2.00 0.00 0.00 179.45 179.76 3kn3 h GLN 93 N -0.40 0.62 -1.00 0.07 1.08 -1.79 -2.76 115.11 110.94 3kn3 h GLN 93 Ca -0.04 -0.04 0.22 0.00 -1.45 0.00 0.00 58.65 57.35 3kn3 h GLN 93 Cb 0.30 -0.14 -0.10 0.00 -0.05 0.00 0.00 27.48 27.49 3kn3 h GLN 93 CO 0.06 0.41 0.63 -0.22 -0.95 0.00 0.00 178.83 178.76 3kn3 h LYS 94 N 0.64 0.54 -0.13 1.46 3.64 -1.45 -2.74 116.57 118.54 3kn3 h LYS 94 Ca 0.60 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.94 3kn3 h LYS 94 Cb 1.03 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.73 3kn3 h LYS 94 CO -0.43 0.36 0.00 1.19 -2.27 0.00 0.00 179.45 178.29 3kn3 n PHE 95 N -4.69 0.16 -1.64 1.91 0.99 -1.05 -5.04 117.46 108.09 3kn3 n PHE 95 Ca 0.24 -0.17 -0.47 0.00 -0.00 0.00 0.00 57.45 57.05 3kn3 n PHE 95 Cb 0.72 -0.01 -0.04 0.00 -1.00 0.00 0.00 39.48 39.15 3kn3 n PHE 95 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.76 177.01 3kn3 n THR 96 N 0.57 0.54 -1.57 4.37 -2.24 -1.04 -4.80 114.28 110.12 3kn3 n THR 96 Ca 0.08 -0.14 0.00 0.00 -2.27 0.00 0.00 64.05 61.73 3kn3 n THR 96 Cb 0.32 -1.30 0.00 0.00 -2.10 0.00 0.00 70.33 67.25 3kn3 n THR 96 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3kn3 n GLY 97 N 2.54 0.56 3.70 3.38 0.00 -1.26 -5.11 105.19 108.99 3kn3 n GLY 97 Ca 0.15 -0.39 -0.25 0.00 0.00 0.00 0.00 46.02 45.52 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 -2.70 4.29 0.19 1.61 1.04 -1.26 -5.15 113.70 111.72 3kn3 s SER 99 Ca 0.00 -1.10 -0.09 0.00 0.48 0.00 0.00 55.95 55.24 3kn3 s SER 99 Cb 0.00 -0.49 0.10 0.00 0.10 0.00 0.00 66.02 65.73 3kn3 s SER 99 CO 0.00 -0.46 1.70 0.58 0.98 0.00 0.00 173.24 176.04 3kn3 h VAL 100 N 1.57 1.26 -0.59 5.02 2.07 -1.98 -1.39 116.25 122.21 3kn3 h VAL 100 Ca -0.43 -0.99 0.01 0.00 0.82 0.00 0.00 66.70 66.12 3kn3 h VAL 100 Cb 1.25 0.60 -0.03 0.00 -1.52 0.00 0.00 31.29 31.59 3kn3 h VAL 100 CO 0.71 0.38 0.38 0.00 0.02 0.00 0.00 177.57 179.06 3kn3 h ALA 101 N 1.06 0.76 -0.58 1.67 0.00 -1.93 0.77 119.26 121.01 3kn3 h ALA 101 Ca 0.21 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 55.01 3kn3 h ALA 101 Cb 0.40 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 3kn3 h ALA 101 CO 0.01 0.15 0.06 0.93 0.00 0.00 0.00 179.25 180.39 3kn3 h GLU 102 N 0.76 0.98 -0.21 0.00 5.08 -1.87 -1.67 114.58 117.67 3kn3 h GLU 102 Ca 0.23 -0.28 -0.02 0.00 -1.00 0.00 0.00 59.36 58.28 3kn3 h GLU 102 Cb -0.04 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.09 3kn3 h GLU 102 CO -0.07 0.95 0.05 0.00 -1.00 0.00 0.00 179.01 178.94 3kn3 h ALA 103 N 0.99 0.27 -0.65 3.43 0.00 -0.96 -1.86 119.26 120.49 3kn3 h ALA 103 Ca 0.17 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 3kn3 h ALA 103 Cb 0.47 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 3kn3 h ALA 103 CO 0.02 -0.09 0.41 0.74 0.00 0.00 0.00 179.25 180.33 3kn3 h PHE 104 N 0.15 0.84 -0.87 0.00 -1.00 -0.74 0.17 116.94 115.50 3kn3 h PHE 104 Ca 0.07 0.01 0.11 0.00 2.81 0.00 0.00 57.97 60.96 3kn3 h PHE 104 Cb 0.26 -0.28 -0.08 0.00 3.61 0.00 0.00 35.95 39.46 3kn3 h PHE 104 CO 0.01 0.56 0.50 0.87 -1.61 0.00 0.00 178.31 178.64 3kn3 h LYS 105 N 0.88 0.78 -0.40 1.51 1.57 -1.26 -0.25 116.57 119.40 3kn3 h LYS 105 Ca 0.24 -0.05 -0.07 0.00 -1.87 0.00 0.00 60.65 58.90 3kn3 h LYS 105 Cb -0.05 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.07 3kn3 h LYS 105 CO -0.05 0.52 -0.04 1.25 -0.57 0.00 0.00 179.45 180.56 3kn3 h LEU 106 N 0.80 0.73 -0.49 2.94 5.85 -0.39 0.03 115.31 124.77 3kn3 h LEU 106 Ca 0.44 -0.33 0.06 0.00 0.84 0.00 0.00 57.88 58.89 3kn3 h LEU 106 Cb 0.46 -0.20 -0.05 0.00 0.37 0.00 0.00 40.66 41.24 3kn3 h LEU 106 CO -0.28 0.88 0.19 0.40 -0.34 0.00 0.00 178.44 179.29 3kn3 h ILE 107 N 0.55 0.86 0.28 4.05 2.04 -0.10 0.98 117.51 126.16 3kn3 h ILE 107 Ca 0.11 -0.13 -0.01 0.00 1.00 0.00 0.00 64.86 65.83 3kn3 h ILE 107 Cb 0.53 0.45 0.00 0.00 -0.74 0.00 0.00 36.82 37.07 3kn3 h ILE 107 CO 0.03 0.07 -0.13 -0.08 0.00 0.00 0.00 178.15 178.03 3kn3 h GLU 108 N 0.37 -0.36 -0.21 2.37 4.81 -0.83 0.25 114.58 120.98 3kn3 h GLU 108 Ca 0.23 0.02 0.06 0.00 -0.13 0.00 0.00 59.36 59.54 3kn3 h GLU 108 Cb 0.22 0.08 -0.07 0.00 0.63 0.00 0.00 28.75 29.61 3kn3 h GLU 108 CO -0.22 -0.13 -0.28 -0.22 -0.73 0.00 0.00 179.01 177.43 3kn3 h LYS 109 N -0.53 -0.29 -0.00 1.92 3.64 -0.69 -1.06 116.57 119.56 3kn3 h LYS 109 Ca -0.04 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 3kn3 h LYS 109 Cb 0.39 0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.28 3kn3 h LYS 109 CO 0.06 -0.19 -0.05 0.39 -2.27 0.00 0.00 179.45 177.39 3kn3 n GLU 110 N -5.39 0.62 -3.67 1.90 1.02 0.31 -4.94 120.64 110.49 3kn3 n GLU 110 Ca -0.02 -0.12 -0.24 0.00 -0.02 0.00 0.00 57.16 56.77 3kn3 n GLU 110 Cb 0.31 -1.50 0.03 0.00 -0.02 0.00 0.00 31.44 30.26 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 -1.09 -3.26 -2.93 3.49 6.02 0.75 -4.98 117.38 115.37 3kn3 n GLN 111 Ca 0.15 0.57 -0.33 0.00 -0.01 0.00 0.00 57.00 57.38 3kn3 n GLN 111 Cb 0.24 -4.85 -0.07 0.00 1.02 0.00 0.00 30.24 26.59 3kn3 n GLN 111 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 177.06 176.19 3kn3 s VAL 112 N -3.61 4.48 0.11 5.09 -7.23 -0.46 -4.86 120.40 113.92 3kn3 s VAL 112 Ca 0.20 1.33 -0.31 0.00 -1.81 0.00 0.00 61.98 61.40 3kn3 s VAL 112 Cb -0.06 -3.65 -0.09 0.00 0.56 0.00 0.00 36.38 33.14 3kn3 s VAL 112 CO 0.83 -0.21 1.58 -0.75 -0.31 0.00 0.00 175.10 176.24 3kn3 s LYS 113 N -2.95 4.22 -0.10 4.82 2.47 -1.26 -4.78 119.74 122.16 3kn3 s LYS 113 Ca 0.57 2.30 0.01 0.00 -1.56 0.00 0.00 55.97 57.30 3kn3 s LYS 113 Cb -0.11 -3.37 0.02 0.00 -1.46 0.00 0.00 37.83 32.91 3kn3 s LYS 113 CO 0.16 -0.64 -0.12 0.12 0.16 0.00 0.00 175.35 175.03 3kn3 s PHE 114 N 1.83 1.68 -0.29 4.03 5.36 -0.43 -0.23 117.98 129.93 3kn3 s PHE 114 Ca 0.71 -0.76 -0.10 0.00 -0.96 0.00 0.00 56.93 55.81 3kn3 s PHE 114 Cb -0.41 -1.26 -0.03 0.00 -0.34 0.00 0.00 43.02 40.97 3kn3 s PHE 114 CO 0.31 -0.43 0.17 0.08 -1.46 0.00 0.00 175.22 173.89 3kn3 s VAL 115 N 1.12 5.02 0.13 3.12 1.01 0.12 -1.27 120.40 129.65 3kn3 s VAL 115 Ca -0.05 -0.04 -0.05 0.00 0.00 0.00 0.00 61.98 61.84 3kn3 s VAL 115 Cb -0.14 -3.44 -0.05 0.00 0.00 0.00 0.00 36.38 32.74 3kn3 s VAL 115 CO -0.02 0.19 0.36 -0.55 0.00 0.00 0.00 175.10 175.08 3kn3 s SER 116 N 1.71 6.49 0.27 3.32 0.15 0.24 -4.43 113.70 121.44 3kn3 s SER 116 Ca 0.06 0.57 -0.01 0.00 0.70 0.00 0.00 55.95 57.28 3kn3 s SER 116 Cb -0.16 -2.08 0.46 0.00 -1.71 0.00 0.00 66.02 62.53 3kn3 s SER 116 CO 0.09 0.08 1.86 0.03 1.20 0.00 0.00 173.24 176.49 3kn3 h ARG 117 N 2.94 1.05 -6.14 5.44 2.47 -1.88 -0.10 114.38 118.16 3kn3 h ARG 117 Ca -0.46 -0.06 -0.46 0.00 -1.26 0.00 0.00 59.98 57.74 3kn3 h ARG 117 Cb 1.17 -0.24 -0.15 0.00 -1.65 0.00 0.00 29.97 29.10 3kn3 h ARG 117 CO 0.72 0.70 -0.69 0.41 0.56 0.00 0.00 179.97 181.67 3kn3 n GLY 118 N -1.35 -0.47 0.73 0.04 0.00 -1.26 0.50 105.19 103.37 3kn3 n GLY 118 Ca 0.17 0.11 -0.06 0.00 0.00 0.00 0.00 46.02 46.24 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 -2.46 1.07 -4.49 1.61 3.85 -1.26 -3.60 116.55 111.27 3kn3 n ASP 119 Ca 0.04 -1.47 -0.43 0.00 -0.71 0.00 0.00 54.79 52.22 3kn3 n ASP 119 Cb 0.51 0.21 -0.03 0.00 -1.35 0.00 0.00 41.12 40.47 3kn3 n ASP 119 CO 0.00 0.00 0.00 -0.54 -1.01 0.00 0.00 177.20 175.65 3kn3 s LYS 120 N -2.34 3.54 0.05 0.11 1.02 -1.26 -4.84 119.74 116.02 3kn3 s LYS 120 Ca 0.04 -1.43 0.01 0.00 0.02 0.00 0.00 55.97 54.61 3kn3 s LYS 120 Cb 0.00 -4.98 -0.03 0.00 -0.52 0.00 0.00 37.83 32.30 3kn3 s LYS 120 CO 0.03 -1.93 -0.05 0.45 -0.92 0.00 0.00 175.35 172.92 3kn3 s SER 121 N 4.08 0.70 0.16 2.83 0.15 -1.26 -5.02 113.70 115.35 3kn3 s SER 121 Ca 0.36 -0.71 -0.07 0.00 0.70 0.00 0.00 55.95 56.23 3kn3 s SER 121 Cb -0.04 0.09 0.02 0.00 -1.71 0.00 0.00 66.02 64.38 3kn3 s SER 121 CO -0.07 -0.35 1.46 1.23 1.20 0.00 0.00 173.24 176.71 3kn3 h GLY 122 N 3.97 0.78 1.13 9.45 0.00 -1.93 -2.38 103.07 114.08 3kn3 h GLY 122 Ca -0.34 -0.90 -0.08 0.00 0.00 0.00 0.00 47.33 46.01 3kn3 h GLY 122 CO 0.50 0.81 0.08 -0.84 0.00 0.00 0.00 176.54 177.09 3kn3 h THR 123 N 0.55 1.26 -0.39 4.70 2.02 -1.98 -1.95 112.91 117.13 3kn3 h THR 123 Ca 0.01 -1.05 -0.06 0.00 0.77 0.00 0.00 66.41 66.09 3kn3 h THR 123 Cb 1.11 0.68 -0.01 0.00 -1.74 0.00 0.00 68.15 68.19 3kn3 h THR 123 CO 0.11 0.39 0.01 -0.74 0.37 0.00 0.00 175.52 175.66 3kn3 h HIS 124 N 0.99 0.73 0.00 3.16 6.17 -1.85 -0.32 115.15 124.03 3kn3 h HIS 124 Ca 0.19 -0.12 -0.09 0.00 0.71 0.00 0.00 60.37 61.06 3kn3 h HIS 124 Cb 0.46 -0.19 -0.01 0.00 2.52 0.00 0.00 27.41 30.18 3kn3 h HIS 124 CO 0.03 0.75 -0.43 0.66 0.71 0.00 0.00 177.93 179.65 3kn3 h SER 125 N 0.50 0.00 -0.06 3.26 4.64 -1.38 -0.74 113.55 119.77 3kn3 h SER 125 Ca 0.11 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.42 3kn3 h SER 125 Cb 0.45 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.54 3kn3 h SER 125 CO 0.02 0.43 0.00 0.50 -0.87 0.00 0.00 176.83 176.91 3kn3 h LYS 126 N 0.00 0.10 -0.84 4.77 1.63 -1.17 -1.87 116.57 119.20 3kn3 h LYS 126 Ca -0.00 -0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.77 3kn3 h LYS 126 Cb 1.05 -0.01 -0.04 0.00 -0.60 0.00 0.00 32.23 32.63 3kn3 h LYS 126 CO 0.06 0.38 0.54 1.49 -3.45 0.00 0.00 179.45 178.46 3kn3 h GLU 127 N -0.18 1.12 -0.65 1.90 4.22 -0.77 -0.40 114.58 119.82 3kn3 h GLU 127 Ca 0.02 -0.08 -0.02 0.00 0.08 0.00 0.00 59.36 59.36 3kn3 h GLU 127 Cb 0.33 -0.25 -0.03 0.00 0.50 0.00 0.00 28.75 29.30 3kn3 h GLU 127 CO 0.00 0.76 0.34 0.00 -2.18 0.00 0.00 179.01 177.93 3kn3 h ARG 128 N 1.15 0.92 -0.82 1.92 3.08 -1.14 -2.54 114.38 116.95 3kn3 h ARG 128 Ca 0.31 -0.12 0.02 0.00 0.07 0.00 0.00 59.98 60.26 3kn3 h ARG 128 Cb -0.10 -0.18 -0.05 0.00 0.08 0.00 0.00 29.97 29.73 3kn3 h ARG 128 CO -0.06 0.70 0.54 1.49 -1.07 0.00 0.00 179.97 181.57 3kn3 h GLU 129 N 0.89 1.04 -0.66 0.04 4.22 -0.35 -2.03 114.58 117.72 3kn3 h GLU 129 Ca 0.23 -0.06 -0.02 0.00 0.08 0.00 0.00 59.36 59.59 3kn3 h GLU 129 Cb 0.06 -0.23 -0.03 0.00 0.50 0.00 0.00 28.75 29.05 3kn3 h GLU 129 CO -0.03 0.69 0.35 0.28 -2.18 0.00 0.00 179.01 178.11 3kn3 h VAL 130 N 1.07 1.21 -0.66 0.32 2.07 -0.80 -1.23 116.25 118.24 3kn3 h VAL 130 Ca 0.31 -0.56 -0.05 0.00 0.82 0.00 0.00 66.70 67.23 3kn3 h VAL 130 Cb -0.06 0.38 -0.03 0.00 -1.52 0.00 0.00 31.29 30.06 3kn3 h VAL 130 CO -0.09 0.24 0.21 -0.50 0.02 0.00 0.00 177.57 177.45 3kn3 h TRP 131 N 0.90 1.05 -0.21 1.57 4.06 -1.24 -0.80 115.95 121.28 3kn3 h TRP 131 Ca 0.23 -0.10 0.02 0.00 2.06 0.00 0.00 58.89 61.10 3kn3 h TRP 131 Cb 0.07 -0.30 -0.02 0.00 -1.00 0.00 0.00 29.16 27.90 3kn3 h TRP 131 CO -0.00 0.85 0.07 -0.22 -3.56 0.00 0.00 178.44 175.57 3kn3 h LYS 132 N 0.95 0.16 -0.42 0.49 3.64 -1.11 0.32 116.57 120.60 3kn3 h LYS 132 Ca 0.21 -0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.54 3kn3 h LYS 132 Cb 0.29 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.05 3kn3 h LYS 132 CO -0.01 0.11 0.09 0.93 -2.27 0.00 0.00 179.45 178.30 3kn3 h GLU 133 N 0.16 0.62 0.15 1.90 5.08 -1.04 0.34 114.58 121.78 3kn3 h GLU 133 Ca 0.09 -0.11 -0.27 0.00 -1.00 0.00 0.00 59.36 58.08 3kn3 h GLU 133 Cb 0.07 -0.10 0.01 0.00 0.50 0.00 0.00 28.75 29.23 3kn3 h GLU 133 CO -0.10 0.57 -1.29 0.00 -1.00 0.00 0.00 179.01 177.19 3kn3 h ALA 134 N 1.50 0.06 0.00 3.43 0.00 -0.59 -3.39 119.26 120.27 3kn3 h ALA 134 Ca 0.14 -0.96 0.00 0.00 0.00 0.00 0.00 54.91 54.09 3kn3 h ALA 134 Cb 0.24 0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.37 3kn3 h ALA 134 CO -0.00 0.71 -0.63 1.28 0.00 0.00 0.00 179.25 180.60 3kn3 n LEU 135 N -3.92 0.28 0.00 0.00 4.77 0.11 -4.87 117.00 113.37 3kn3 n LEU 135 Ca -0.21 -0.37 0.00 0.00 -0.03 0.00 0.00 56.01 55.40 3kn3 n LEU 135 Cb 0.92 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.01 3kn3 n LEU 135 CO 0.47 0.07 0.00 0.61 -1.33 0.00 0.00 177.39 177.21 3kn3 n GLY 136 N 1.41 0.66 3.46 -0.72 0.00 0.12 -5.00 105.19 105.11 3kn3 n GLY 136 Ca 0.01 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.87 3kn3 n GLY 136 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kn3 s LYS 137 N -0.13 1.09 -0.21 1.61 -2.85 -1.25 -4.92 119.74 113.08 3kn3 s LYS 137 Ca 0.00 -0.02 -0.22 0.00 -1.00 0.00 0.00 55.97 54.73 3kn3 s LYS 137 Cb 0.00 0.51 -0.02 0.00 -2.06 0.00 0.00 37.83 36.26 3kn3 s LYS 137 CO 0.00 -0.38 0.69 0.42 0.10 0.00 0.00 175.35 176.18 3kn3 s ILE 138 N -2.02 4.96 0.00 3.79 -1.09 -1.26 -4.03 121.20 121.56 3kn3 s ILE 138 Ca -0.07 1.31 -0.00 0.00 -2.23 0.00 0.00 60.65 59.65 3kn3 s ILE 138 Cb -0.01 -4.00 -0.01 0.00 -1.58 0.00 0.00 42.46 36.87 3kn3 s ILE 138 CO 0.02 0.05 1.42 -0.81 -1.23 0.00 0.00 174.94 174.40 3kn3 n PRO 139 N 5.34 0.71 -0.14 2.79 -0.04 -1.26 -4.60 135.00 137.80 3kn3 n PRO 139 Ca 0.01 -0.03 0.27 0.00 -0.04 0.00 0.00 63.50 63.70 3kn3 n PRO 139 Cb 0.49 -1.19 0.54 0.00 -0.04 0.00 0.00 33.50 33.30 3kn3 n PRO 139 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 3kn3 h GLU 140 N 2.03 0.00 -0.13 0.54 5.08 -1.93 -2.07 114.58 118.11 3kn3 h GLU 140 Ca 0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 3kn3 h GLU 140 Cb 0.70 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.95 3kn3 h GLU 140 CO 0.01 0.00 0.00 1.63 -1.00 0.00 0.00 179.01 179.65 3kn3 n LYS 141 N -3.39 2.38 -2.69 2.33 5.02 -1.26 -5.00 118.16 115.56 3kn3 n LYS 141 Ca 0.19 -1.58 -0.36 0.00 -2.02 0.00 0.00 58.31 54.54 3kn3 n LYS 141 Cb 1.29 -1.12 -0.05 0.00 -0.02 0.00 0.00 35.03 35.13 3kn3 n LYS 141 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 3kn3 s GLU 142 N -0.90 4.34 0.44 1.97 8.01 -0.78 -4.95 118.70 126.83 3kn3 s GLU 142 Ca 0.10 1.37 0.10 0.00 0.01 0.00 0.00 54.97 56.55 3kn3 s GLU 142 Cb 0.05 -2.58 0.98 0.00 -4.31 0.00 0.00 34.13 28.28 3kn3 s GLU 142 CO 0.07 0.04 2.06 0.66 0.01 0.00 0.00 175.26 178.10 3kn3 h SER 143 N 2.65 0.27 0.76 -0.19 4.64 -1.95 -2.51 113.55 117.22 3kn3 h SER 143 Ca -0.48 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 3kn3 h SER 143 Cb 1.20 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 63.22 3kn3 h SER 143 CO 0.63 0.24 -0.21 -2.67 -0.87 0.00 0.00 176.83 173.95 3kn3 n TRP 144 N -4.46 0.00 -3.28 4.77 4.27 -1.26 -4.70 117.44 112.78 3kn3 n TRP 144 Ca 0.00 0.00 -0.45 0.00 -3.89 0.00 0.00 57.50 53.17 3kn3 n TRP 144 Cb 0.11 -0.38 -0.06 0.00 -1.36 0.00 0.00 31.31 29.62 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 -2.97 3.17 -0.16 -2.67 6.14 -0.95 -1.31 117.35 118.60 3kn3 s TYR 145 Ca 0.14 -0.94 -0.06 0.00 0.64 0.00 0.00 57.07 56.84 3kn3 s TYR 145 Cb 0.18 -3.53 -0.04 0.00 0.42 0.00 0.00 41.96 38.99 3kn3 s TYR 145 CO 0.60 -0.98 0.05 0.42 0.64 0.00 0.00 175.55 176.28 3kn3 s ILE 146 N 2.00 4.68 -0.37 3.14 1.09 -0.39 -4.73 121.20 126.62 3kn3 s ILE 146 Ca 0.07 -0.08 -0.12 0.00 -1.10 0.00 0.00 60.65 59.42 3kn3 s ILE 146 Cb -0.25 -3.07 0.02 0.00 -1.06 0.00 0.00 42.46 38.10 3kn3 s ILE 146 CO 0.07 0.51 0.22 -1.61 -0.10 0.00 0.00 174.94 174.03 3kn3 s GLU 147 N -0.00 3.00 0.11 2.79 2.02 -1.26 0.80 118.70 126.16 3kn3 s GLU 147 Ca 0.05 -0.97 -0.11 0.00 0.02 0.00 0.00 54.97 53.96 3kn3 s GLU 147 Cb -0.12 -3.77 -0.13 0.00 0.10 0.00 0.00 34.13 30.21 3kn3 s GLU 147 CO 0.01 -0.64 1.32 0.00 0.02 0.00 0.00 175.26 175.97 3kn3 h ALA 148 N 8.47 0.34 -5.36 5.21 0.00 -1.13 -3.47 119.26 123.33 3kn3 h ALA 148 Ca -0.27 -0.61 -0.25 0.00 0.00 0.00 0.00 54.91 53.78 3kn3 h ALA 148 Cb 1.12 -0.02 0.19 0.00 0.00 0.00 0.00 17.79 19.08 3kn3 h ALA 148 CO 0.67 0.70 -0.81 0.41 0.00 0.00 0.00 179.25 180.22 3kn3 n GLY 149 N 0.71 -0.96 3.33 0.00 0.00 0.18 -4.98 105.19 103.47 3kn3 n GLY 149 Ca -0.07 0.48 -0.09 0.00 0.00 0.00 0.00 46.02 46.33 3kn3 n GLY 149 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3kn3 s GLN 150 N -4.47 1.11 0.00 1.61 -1.52 -1.04 -4.92 119.66 110.43 3kn3 s GLN 150 Ca 0.37 -1.08 0.00 0.00 -1.95 0.00 0.00 55.36 52.70 3kn3 s GLN 150 Cb -0.05 0.39 0.00 0.00 -0.22 0.00 0.00 33.01 33.13 3kn3 s GLN 150 CO 0.70 -0.41 0.00 0.41 -0.25 0.00 0.00 175.29 175.75 3kn3 n GLY 151 N -0.20 -3.04 0.41 3.09 0.00 -1.26 -4.74 105.19 99.47 3kn3 n GLY 151 Ca -0.09 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.07 0.99 0.00 -1.26 -2.04 117.00 114.62 3kn3 n LEU 153 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 56.01 55.93 3kn3 n LEU 153 Cb 0.00 0.00 0.08 0.00 0.00 0.00 0.00 43.42 43.50 3kn3 n LEU 153 CO 0.00 0.00 0.65 0.00 0.00 0.00 0.00 177.39 178.04 3kn3 h ALA 154 N 0.00 0.82 0.00 1.96 0.00 -2.00 -2.65 119.26 117.39 3kn3 h ALA 154 Ca 0.00 -0.40 -0.09 0.00 0.00 0.00 0.00 54.91 54.41 3kn3 h ALA 154 Cb 0.00 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 3kn3 h ALA 154 CO 0.00 0.64 -0.45 1.79 0.00 0.00 0.00 179.25 181.23 3kn3 h THR 155 N 0.63 0.91 -0.56 0.00 1.35 -1.70 -1.39 112.91 112.15 3kn3 h THR 155 Ca 0.07 -1.85 -0.06 0.00 -0.55 0.00 0.00 66.41 64.02 3kn3 h THR 155 Cb 0.82 2.14 -0.02 0.00 -1.73 0.00 0.00 68.15 69.36 3kn3 h THR 155 CO 0.07 0.44 0.10 0.40 -0.25 0.00 0.00 175.52 176.28 3kn3 h ILE 156 N 0.00 1.25 -0.43 6.82 2.04 -1.81 -1.46 117.51 123.93 3kn3 h ILE 156 Ca -0.00 -0.95 -0.08 0.00 1.00 0.00 0.00 64.86 64.82 3kn3 h ILE 156 Cb 1.10 0.79 -0.02 0.00 -0.74 0.00 0.00 36.82 37.96 3kn3 h ILE 156 CO 0.06 0.35 -0.08 0.78 0.00 0.00 0.00 178.15 179.25 3kn3 h ASN 157 N 0.81 0.72 -0.40 1.72 2.35 -1.09 -0.91 115.58 118.78 3kn3 h ASN 157 Ca 0.17 -0.20 -0.03 0.00 -0.55 0.00 0.00 56.30 55.69 3kn3 h ASN 157 Cb 0.40 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 38.56 3kn3 h ASN 157 CO 0.01 0.84 0.14 0.40 -1.65 0.00 0.00 177.43 177.17 3kn3 h ILE 158 N 0.68 1.21 -0.80 2.81 2.04 -1.17 0.16 117.51 122.43 3kn3 h ILE 158 Ca 0.12 -0.67 0.02 0.00 1.00 0.00 0.00 64.86 65.34 3kn3 h ILE 158 Cb 0.54 0.89 -0.05 0.00 -0.74 0.00 0.00 36.82 37.46 3kn3 h ILE 158 CO 0.03 0.24 0.52 0.00 0.00 0.00 0.00 178.15 178.94 3kn3 h ALA 159 N 0.99 1.04 -0.44 1.87 0.00 -0.89 -0.48 119.26 121.35 3kn3 h ALA 159 Ca 0.13 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 3kn3 h ALA 159 Cb 0.23 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 3kn3 h ALA 159 CO -0.01 0.37 0.08 1.49 0.00 0.00 0.00 179.25 181.18 3kn3 h GLU 160 N 1.03 0.72 -0.70 0.00 4.22 -0.93 -0.07 114.58 118.86 3kn3 h GLU 160 Ca 0.31 -0.19 0.02 0.00 0.08 0.00 0.00 59.36 59.58 3kn3 h GLU 160 Cb -0.04 -0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.08 3kn3 h GLU 160 CO -0.09 0.74 0.45 0.93 -2.18 0.00 0.00 179.01 178.86 3kn3 h GLU 161 N 0.58 0.87 -0.64 1.92 5.08 0.11 -2.47 114.58 120.03 3kn3 h GLU 161 Ca 0.13 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 3kn3 h GLU 161 Cb 0.36 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.42 3kn3 h GLU 161 CO 0.01 0.57 0.00 1.04 -1.00 0.00 0.00 179.01 179.63 3kn3 n GLN 162 N -4.64 4.18 -3.15 2.33 6.02 -0.26 -4.92 117.38 116.95 3kn3 n GLN 162 Ca 0.07 -2.66 -0.23 0.00 -0.01 0.00 0.00 57.00 54.17 3kn3 n GLN 162 Cb 0.06 -2.10 0.03 0.00 1.02 0.00 0.00 30.24 29.25 3kn3 n GLN 162 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 3kn3 n LYS 163 N 0.61 -5.01 -0.04 -1.09 4.76 -0.74 -4.90 118.16 111.74 3kn3 n LYS 163 Ca 0.24 0.84 0.00 0.00 -2.87 0.00 0.00 58.31 56.51 3kn3 n LYS 163 Cb 1.02 -5.70 0.00 0.00 -1.84 0.00 0.00 35.03 28.51 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 -1.53 7.11 3.51 0.72 0.00 -0.11 -4.80 105.19 110.08 3kn3 n GLY 164 Ca -0.08 -1.88 -0.24 0.00 0.00 0.00 0.00 46.02 43.82 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 2.73 0.24 0.99 1.43 0.68 -4.43 118.68 120.32 3kn3 s LEU 165 Ca 0.00 -0.91 -0.15 0.00 -1.03 0.00 0.00 54.13 52.03 3kn3 s LEU 165 Cb 0.00 -1.26 0.01 0.00 0.03 0.00 0.00 46.19 44.96 3kn3 s LEU 165 CO 0.00 0.04 0.53 0.28 0.23 0.00 0.00 176.35 177.43 3kn3 s THR 166 N -2.36 0.01 -0.19 5.49 -1.32 -0.64 -0.71 115.64 115.91 3kn3 s THR 166 Ca 0.29 -1.20 -0.04 0.00 -1.21 0.00 0.00 61.69 59.53 3kn3 s THR 166 Cb -0.06 -2.03 -0.02 0.00 -1.51 0.00 0.00 72.50 68.89 3kn3 s THR 166 CO 0.16 -0.03 -0.03 -0.22 -2.21 0.00 0.00 174.62 172.29 3kn3 s LEU 167 N -2.97 3.13 0.03 9.08 0.20 -1.26 -0.95 118.68 125.94 3kn3 s LEU 167 Ca 0.17 -0.24 -0.01 0.00 0.69 0.00 0.00 54.13 54.74 3kn3 s LEU 167 Cb -0.02 -1.78 -0.03 0.00 -0.43 0.00 0.00 46.19 43.93 3kn3 s LEU 167 CO 0.06 0.07 -0.02 0.28 -0.29 0.00 0.00 176.35 176.45 3kn3 s THR 168 N 0.96 0.16 0.65 3.68 -1.32 -0.60 -4.96 115.64 114.21 3kn3 s THR 168 Ca 0.01 -1.30 -0.16 0.00 -1.21 0.00 0.00 61.69 59.03 3kn3 s THR 168 Cb -0.14 -0.83 -0.00 0.00 -1.51 0.00 0.00 72.50 70.01 3kn3 s THR 168 CO 0.01 -0.71 1.15 1.51 -2.21 0.00 0.00 174.62 174.37 3kn3 s ASP 169 N -2.11 4.97 0.25 8.08 -4.77 -1.26 -0.78 116.67 121.04 3kn3 s ASP 169 Ca -0.06 2.18 -0.03 0.00 -3.30 0.00 0.00 52.55 51.34 3kn3 s ASP 169 Cb -0.02 -2.57 0.29 0.00 -1.09 0.00 0.00 42.92 39.52 3kn3 s ASP 169 CO -0.05 -1.73 1.75 -0.09 0.70 0.00 0.00 175.17 175.75 3kn3 h ARG 170 N 0.25 0.87 -0.40 2.11 2.43 -1.61 -2.97 114.38 115.07 3kn3 h ARG 170 Ca -0.48 -0.23 0.05 0.00 -0.81 0.00 0.00 59.98 58.51 3kn3 h ARG 170 Cb 1.27 -0.10 -0.05 0.00 -0.42 0.00 0.00 29.97 30.67 3kn3 h ARG 170 CO 0.53 0.85 0.12 0.78 -1.51 0.00 0.00 179.97 180.74 3kn3 h GLY 171 N 0.99 0.50 1.40 2.80 0.00 -1.89 -0.99 103.07 105.88 3kn3 h GLY 171 Ca 0.16 -0.06 -0.10 0.00 0.00 0.00 0.00 47.33 47.33 3kn3 h GLY 171 CO 0.02 0.01 -0.19 -0.84 0.00 0.00 0.00 176.54 175.54 3kn3 h THR 172 N 0.27 1.26 -0.59 4.70 2.02 -1.93 -2.28 112.91 116.37 3kn3 h THR 172 Ca 0.19 -1.25 -0.06 0.00 0.77 0.00 0.00 66.41 66.05 3kn3 h THR 172 Cb 0.19 1.18 -0.03 0.00 -1.74 0.00 0.00 68.15 67.75 3kn3 h THR 172 CO -0.21 0.42 0.13 0.15 0.37 0.00 0.00 175.52 176.38 3kn3 h PHE 173 N 0.63 0.96 -0.30 3.16 3.57 -1.27 0.37 116.94 124.06 3kn3 h PHE 173 Ca 0.10 -0.10 0.02 0.00 3.53 0.00 0.00 57.97 61.52 3kn3 h PHE 173 Cb 0.66 -0.28 -0.03 0.00 2.79 0.00 0.00 35.95 39.10 3kn3 h PHE 173 CO 0.03 0.80 0.15 0.82 -2.23 0.00 0.00 178.31 177.88 3kn3 h ILE 174 N 0.88 0.98 0.25 1.41 2.04 -0.86 0.16 117.51 122.38 3kn3 h ILE 174 Ca 0.19 -0.11 0.00 0.00 1.00 0.00 0.00 64.86 65.95 3kn3 h ILE 174 Cb 0.34 0.65 -0.02 0.00 -0.74 0.00 0.00 36.82 37.05 3kn3 h ILE 174 CO 0.00 0.06 -0.24 0.11 0.00 0.00 0.00 178.15 178.08 3kn3 h LYS 175 N 0.31 -0.50 -1.03 2.37 1.57 -0.82 -1.21 116.57 117.27 3kn3 h LYS 175 Ca 0.13 0.03 0.25 0.00 -1.87 0.00 0.00 60.65 59.19 3kn3 h LYS 175 Cb 0.05 0.11 -0.11 0.00 0.08 0.00 0.00 32.23 32.36 3kn3 h LYS 175 CO -0.09 -0.33 0.64 -0.92 -0.57 0.00 0.00 179.45 178.18 3kn3 h TYR 176 N -0.52 0.82 -0.28 -1.35 3.20 0.01 -1.49 116.97 117.36 3kn3 h TYR 176 Ca -0.01 0.03 -0.16 0.00 3.14 0.00 0.00 58.73 61.73 3kn3 h TYR 176 Cb 0.47 -0.24 -0.00 0.00 1.54 0.00 0.00 36.73 38.50 3kn3 h TYR 176 CO -0.16 0.07 -0.49 0.93 -1.64 0.00 0.00 178.16 176.88 3kn3 h GLU 177 N 0.49 0.75 0.00 1.82 5.08 0.27 -2.58 114.58 120.40 3kn3 h GLU 177 Ca 0.61 -0.44 -0.03 0.00 -1.00 0.00 0.00 59.36 58.51 3kn3 h GLU 177 Cb 1.36 0.04 -0.00 0.00 0.50 0.00 0.00 28.75 30.65 3kn3 h GLU 177 CO -0.37 1.06 -0.13 0.66 -1.00 0.00 0.00 179.01 179.24 3kn3 h SER 178 N 0.59 0.00 0.05 1.42 4.64 -0.19 -2.68 113.55 117.37 3kn3 h SER 178 Ca 0.03 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.35 3kn3 h SER 178 Cb 1.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.15 3kn3 h SER 178 CO 0.10 0.13 -0.02 0.78 -0.87 0.00 0.00 176.83 176.95 3kn3 h ASN 179 N 0.00 -0.05 -2.59 4.97 2.35 -1.16 -3.36 115.58 115.74 3kn3 h ASN 179 Ca -0.00 -0.44 -0.81 0.00 -0.55 0.00 0.00 56.30 54.50 3kn3 h ASN 179 Cb 0.30 0.01 -0.28 0.00 0.05 0.00 0.00 38.32 38.41 3kn3 h ASN 179 CO 0.02 0.42 0.88 1.41 -1.65 0.00 0.00 177.43 178.51 3kn3 n HIS 180 N -4.89 2.50 -0.83 1.19 8.25 -1.01 -5.01 115.22 115.41 3kn3 n HIS 180 Ca -0.08 -2.59 -0.32 0.00 -0.26 0.00 0.00 57.72 54.46 3kn3 n HIS 180 Cb 0.25 -1.21 0.15 0.00 1.12 0.00 0.00 29.99 30.30 3kn3 n HIS 180 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3kn3 n LYS 181 N 0.65 -0.23 0.00 -0.41 5.02 -1.22 -4.48 118.16 117.48 3kn3 n LYS 181 Ca 0.36 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.65 3kn3 n LYS 181 Cb 0.30 -2.37 0.00 0.00 -0.02 0.00 0.00 35.03 32.94 3kn3 n LYS 181 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3kn3 n GLY 182 N 0.44 1.16 3.12 0.72 0.00 -1.26 -4.84 105.19 104.53 3kn3 n GLY 182 Ca 0.12 -0.57 -0.33 0.00 0.00 0.00 0.00 46.02 45.24 3kn3 n GLY 182 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kn3 s LYS 183 N 0.00 2.95 -0.01 1.61 1.02 -1.26 -5.09 119.74 118.96 3kn3 s LYS 183 Ca 0.00 -0.86 -0.30 0.00 0.02 0.00 0.00 55.97 54.83 3kn3 s LYS 183 Cb 0.00 -2.59 -0.05 0.00 -0.52 0.00 0.00 37.83 34.67 3kn3 s LYS 183 CO 0.00 -0.23 1.25 -2.14 -0.92 0.00 0.00 175.35 173.31 3kn3 s PRO 184 N 1.28 4.36 0.00 -1.68 0.02 -1.26 -5.08 135.00 132.63 3kn3 s PRO 184 Ca 0.04 1.77 0.12 0.00 0.02 0.00 0.00 61.00 62.95 3kn3 s PRO 184 Cb -0.13 -3.49 0.59 0.00 0.02 0.00 0.00 34.50 31.48 3kn3 s PRO 184 CO -0.13 -0.42 1.30 -2.30 -0.33 0.00 0.00 177.00 175.12 3kn3 n PRO 185 N 4.84 0.15 0.00 5.54 -0.02 -1.26 -4.78 135.00 139.47 3kn3 n PRO 185 Ca 0.11 0.19 0.00 0.00 -2.02 0.00 0.00 63.50 61.78 3kn3 n PRO 185 Cb 0.46 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.44 3kn3 n PRO 185 CO 0.00 0.00 0.00 1.55 1.98 0.00 0.00 175.50 179.03 3kn3 n VAL 187 N -1.31 0.00 -1.83 -1.45 3.14 -0.27 -4.18 118.33 112.42 3kn3 n VAL 187 Ca 0.05 0.00 -0.42 0.00 -2.96 0.00 0.00 64.34 61.01 3kn3 n VAL 187 Cb 0.10 0.00 -0.03 0.00 -1.06 0.00 0.00 33.84 32.85 3kn3 n VAL 187 CO 0.00 0.00 0.00 -0.63 -6.46 0.00 0.00 176.83 169.74 3kn3 s ILE 188 N -1.69 2.43 0.00 1.55 1.01 -1.26 -2.21 121.20 121.02 3kn3 s ILE 188 Ca 0.00 0.25 0.00 0.00 0.00 0.00 0.00 60.65 60.90 3kn3 s ILE 188 Cb 0.00 -3.16 0.00 0.00 0.01 0.00 0.00 42.46 39.31 3kn3 s ILE 188 CO 0.00 0.02 0.00 0.52 0.00 0.00 0.00 174.94 175.48 3kn3 n VAL 189 N 4.13 0.00 -3.64 2.92 0.31 0.45 -4.90 118.33 117.60 3kn3 n VAL 189 Ca 0.15 -0.29 -0.03 0.00 -0.01 0.00 0.00 64.34 64.15 3kn3 n VAL 189 Cb 0.37 0.83 -0.07 0.00 -0.91 0.00 0.00 33.84 34.06 3kn3 n VAL 189 CO 0.00 0.00 0.00 -0.22 -1.32 0.00 0.00 176.83 175.29 3kn3 s LEU 190 N -1.92 -0.58 0.19 7.52 0.20 -0.99 -4.78 118.68 118.33 3kn3 s LEU 190 Ca 0.00 0.93 -0.21 0.00 0.69 0.00 0.00 54.13 55.54 3kn3 s LEU 190 Cb 0.00 1.85 0.04 0.00 -0.43 0.00 0.00 46.19 47.66 3kn3 s LEU 190 CO 0.00 -0.15 0.59 -1.83 -0.29 0.00 0.00 176.35 174.67 3kn3 s GLU 191 N 1.35 1.40 0.00 1.98 -1.05 -1.26 -1.32 118.70 119.79 3kn3 s GLU 191 Ca -0.09 -0.71 0.00 0.00 -0.15 0.00 0.00 54.97 54.02 3kn3 s GLU 191 Cb -0.04 0.57 0.00 0.00 -0.44 0.00 0.00 34.13 34.22 3kn3 s GLU 191 CO -0.15 -0.61 0.00 0.41 0.95 0.00 0.00 175.26 175.85 3kn3 n GLY 192 N -0.37 2.95 3.55 -3.83 0.00 -1.26 -5.03 105.19 101.19 3kn3 n GLY 192 Ca -0.12 -0.23 -0.47 0.00 0.00 0.00 0.00 46.02 45.19 3kn3 n GLY 192 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3kn3 n ASP 193 N 0.38 0.80 0.03 1.61 -0.08 -1.26 -4.84 116.55 113.19 3kn3 n ASP 193 Ca 0.00 1.16 0.10 0.00 -1.51 0.00 0.00 54.79 54.54 3kn3 n ASP 193 Cb 0.00 -1.19 0.54 0.00 2.34 0.00 0.00 41.12 42.81 3kn3 n ASP 193 CO 0.00 0.00 0.00 0.78 0.12 0.00 0.00 177.20 178.10 3kn3 h ASN 194 N 2.35 0.26 0.48 1.67 4.21 -2.00 -1.35 115.58 121.20 3kn3 h ASN 194 Ca -0.39 -0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.12 3kn3 h ASN 194 Cb 1.36 -0.06 0.00 0.00 -1.12 0.00 0.00 38.32 38.51 3kn3 h ASN 194 CO 0.64 0.17 0.00 1.07 -1.29 0.00 0.00 177.43 178.02 3kn3 n THR 195 N -4.48 0.90 1.06 2.81 5.66 -1.26 -2.20 114.28 116.78 3kn3 n THR 195 Ca 0.05 0.23 0.12 0.00 -3.05 0.00 0.00 64.05 61.40 3kn3 n THR 195 Cb 0.25 -0.97 0.29 0.00 -1.55 0.00 0.00 70.33 68.36 3kn3 n THR 195 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 175.07 172.20 3kn3 n LEU 196 N -1.47 2.42 -4.77 1.09 4.77 -0.51 -4.92 117.00 113.61 3kn3 n LEU 196 Ca 0.04 -0.89 -0.37 0.00 -0.03 0.00 0.00 56.01 54.76 3kn3 n LEU 196 Cb 0.17 -0.06 -0.04 0.00 -2.33 0.00 0.00 43.42 41.16 3kn3 n LEU 196 CO 0.14 0.45 0.77 -0.54 -1.33 0.00 0.00 177.39 176.87 3kn3 s LYS 197 N -1.87 4.21 -0.16 3.23 1.02 -0.93 -0.68 119.74 124.54 3kn3 s LYS 197 Ca 0.34 1.63 -0.03 0.00 0.02 0.00 0.00 55.97 57.93 3kn3 s LYS 197 Cb 0.20 -2.67 -0.02 0.00 -0.52 0.00 0.00 37.83 34.83 3kn3 s LYS 197 CO 0.31 -0.13 -0.06 1.21 -0.92 0.00 0.00 175.35 175.76 3kn3 s ASN 198 N -1.37 4.49 -0.03 2.83 2.47 -1.26 -4.81 114.94 117.27 3kn3 s ASN 198 Ca 0.56 -0.24 0.06 0.00 0.42 0.00 0.00 52.86 53.66 3kn3 s ASN 198 Cb -0.25 -1.73 -0.01 0.00 -1.45 0.00 0.00 41.25 37.80 3kn3 s ASN 198 CO 0.32 0.13 -0.20 -0.36 -3.72 0.00 0.00 177.10 173.27 3kn3 s PHE 199 N 0.60 1.81 -0.12 0.43 0.08 -1.26 -0.29 117.98 119.24 3kn3 s PHE 199 Ca -0.04 -0.40 -0.01 0.00 0.12 0.00 0.00 56.93 56.60 3kn3 s PHE 199 Cb -0.15 -1.18 -0.02 0.00 -0.57 0.00 0.00 43.02 41.10 3kn3 s PHE 199 CO 0.03 -0.08 -0.08 0.71 -0.10 0.00 0.00 175.22 175.70 3kn3 s TYR 200 N -0.32 2.92 -0.17 0.36 2.02 -0.26 -4.79 117.35 117.12 3kn3 s TYR 200 Ca 0.04 -0.28 -0.07 0.00 -0.37 0.00 0.00 57.07 56.38 3kn3 s TYR 200 Cb -0.09 -1.84 -0.04 0.00 -0.40 0.00 0.00 41.96 39.59 3kn3 s TYR 200 CO 0.00 0.04 0.07 -1.12 -1.57 0.00 0.00 175.55 172.98 3kn3 s SER 201 N -0.05 5.75 0.55 2.29 0.01 0.67 -0.06 113.70 122.86 3kn3 s SER 201 Ca -0.00 0.15 0.09 0.00 1.31 0.00 0.00 55.95 57.50 3kn3 s SER 201 Cb -0.13 -1.95 0.08 0.00 0.21 0.00 0.00 66.02 64.22 3kn3 s SER 201 CO 0.03 0.22 0.76 -0.63 0.41 0.00 0.00 173.24 174.03 3kn3 s ILE 202 N 0.10 2.28 0.05 1.44 1.01 -0.47 -1.11 121.20 124.51 3kn3 s ILE 202 Ca 0.06 -0.99 0.07 0.00 0.00 0.00 0.00 60.65 59.78 3kn3 s ILE 202 Cb -0.12 -2.29 -0.03 0.00 0.01 0.00 0.00 42.46 40.04 3kn3 s ILE 202 CO 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 174.94 174.76 3kn3 s ALA 204 N -2.63 1.57 0.10 9.38 0.00 -0.33 -1.07 121.76 128.78 3kn3 s ALA 204 Ca 0.61 -1.02 -0.31 0.00 0.00 0.00 0.00 51.96 51.24 3kn3 s ALA 204 Cb -0.06 -0.27 -0.07 0.00 0.00 0.00 0.00 23.12 22.71 3kn3 s ALA 204 CO 0.38 0.33 1.37 0.08 0.00 0.00 0.00 175.76 177.92 3kn3 s VAL 205 N -0.89 3.44 -0.13 0.00 1.01 -0.11 -1.52 120.40 122.20 3kn3 s VAL 205 Ca 0.05 1.02 -0.29 0.00 0.00 0.00 0.00 61.98 62.76 3kn3 s VAL 205 Cb -0.09 -3.65 -0.06 0.00 0.00 0.00 0.00 36.38 32.58 3kn3 s VAL 205 CO 0.02 0.07 2.13 0.21 0.00 0.00 0.00 175.10 177.53 3kn3 s ASN 206 N 1.18 5.81 0.53 3.32 3.84 -0.93 -4.85 114.94 123.84 3kn3 s ASN 206 Ca 0.64 2.17 0.30 0.00 0.21 0.00 0.00 52.86 56.17 3kn3 s ASN 206 Cb -0.35 -2.52 1.43 0.00 -0.55 0.00 0.00 41.25 39.26 3kn3 s ASN 206 CO 0.30 -1.64 2.04 1.55 -2.79 0.00 0.00 177.10 176.55 3kn3 h PRO 207 N 13.48 0.00 0.00 0.43 0.14 -1.92 -0.70 132.00 143.43 3kn3 h PRO 207 Ca -0.44 0.00 -0.04 0.00 0.14 0.00 0.00 66.00 65.66 3kn3 h PRO 207 Cb 1.24 0.00 -0.01 0.00 0.14 0.00 0.00 31.00 32.37 3kn3 h PRO 207 CO 0.95 0.11 -0.17 0.87 0.14 0.00 0.00 178.00 179.90 3kn3 h LYS 208 N 0.00 0.00 0.00 0.86 6.56 -1.96 -3.00 116.57 119.03 3kn3 h LYS 208 Ca -0.00 0.00 -0.01 0.00 -1.06 0.00 0.00 60.65 59.58 3kn3 h LYS 208 Cb 0.42 0.00 -0.00 0.00 -0.57 0.00 0.00 32.23 32.08 3kn3 h LYS 208 CO 0.01 0.17 -1.71 2.89 -2.06 0.00 0.00 179.45 178.76 3kn3 n ARG 209 N -4.26 0.52 -3.81 3.15 1.85 -0.73 -4.78 116.66 108.61 3kn3 n ARG 209 Ca -0.02 -0.13 -0.32 0.00 -1.00 0.00 0.00 57.85 56.38 3kn3 n ARG 209 Cb 0.24 -1.36 -0.10 0.00 -1.05 0.00 0.00 32.46 30.18 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 5.90 0.12 -0.38 0.00 5.08 -1.86 -1.20 114.58 122.23 3kn3 h GLU 211 Ca 0.10 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 3kn3 h GLU 211 Cb 0.81 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.03 3kn3 h GLU 211 CO 0.75 0.08 0.00 1.63 -1.00 0.00 0.00 179.01 180.47 3kn3 n LYS 212 N -4.34 2.56 -2.34 2.33 5.02 -1.26 -4.95 118.16 115.18 3kn3 n LYS 212 Ca 0.26 -2.08 -0.38 0.00 -2.02 0.00 0.00 58.31 54.08 3kn3 n LYS 212 Cb 1.15 -1.34 -0.02 0.00 -0.02 0.00 0.00 35.03 34.79 3kn3 n LYS 212 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3kn3 s ALA 213 N -1.03 3.19 -1.29 7.82 0.00 -0.45 -4.93 121.76 125.06 3kn3 s ALA 213 Ca 0.28 0.94 -0.18 0.00 0.00 0.00 0.00 51.96 53.00 3kn3 s ALA 213 Cb 0.15 -3.37 0.06 0.00 0.00 0.00 0.00 23.12 19.97 3kn3 s ALA 213 CO 0.20 -0.46 1.75 0.34 0.00 0.00 0.00 175.76 177.59 3kn3 s ASP 214 N -1.13 6.74 0.27 0.00 -1.08 -1.26 -4.75 116.67 115.46 3kn3 s ASP 214 Ca 0.55 -2.40 0.07 0.00 -0.52 0.00 0.00 52.55 50.25 3kn3 s ASP 214 Cb -0.30 -2.58 0.36 0.00 -1.46 0.00 0.00 42.92 38.93 3kn3 s ASP 214 CO 0.38 -1.28 1.62 0.22 0.52 0.00 0.00 175.17 176.63 3kn3 h TYR 215 N 7.70 0.19 0.08 -5.34 3.20 -1.90 -1.39 116.97 119.51 3kn3 h TYR 215 Ca 0.44 -0.07 0.02 0.00 3.14 0.00 0.00 58.73 62.26 3kn3 h TYR 215 Cb 0.87 -0.04 -0.03 0.00 1.54 0.00 0.00 36.73 39.08 3kn3 h TYR 215 CO 1.42 0.67 -0.20 0.87 -1.64 0.00 0.00 178.16 179.28 3kn3 h LYS 216 N 0.12 -0.35 -0.95 1.82 1.57 -1.99 0.15 116.57 116.93 3kn3 h LYS 216 Ca -0.00 0.02 0.08 0.00 -1.87 0.00 0.00 60.65 58.88 3kn3 h LYS 216 Cb 1.01 0.08 -0.07 0.00 0.08 0.00 0.00 32.23 33.33 3kn3 h LYS 216 CO 0.08 -0.23 0.59 0.78 -0.57 0.00 0.00 179.45 180.10 3kn3 h GLY 217 N -0.37 1.47 0.81 3.86 0.00 -1.88 -0.55 103.07 106.41 3kn3 h GLY 217 Ca 0.03 -0.42 -0.00 0.00 0.00 0.00 0.00 47.33 46.94 3kn3 h GLY 217 CO -0.13 0.25 0.00 0.00 0.00 0.00 0.00 176.54 176.66 3kn3 h ALA 218 N 1.46 0.01 -0.53 3.60 0.00 -0.74 -2.28 119.26 120.80 3kn3 h ALA 218 Ca 0.43 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 55.20 3kn3 h ALA 218 Cb 0.27 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 3kn3 h ALA 218 CO -0.21 -0.39 0.17 -0.22 0.00 0.00 0.00 179.25 178.61 3kn3 h LYS 219 N -0.18 0.78 -0.25 0.00 1.63 -0.32 -1.39 116.57 116.83 3kn3 h LYS 219 Ca 0.00 -0.13 -0.01 0.00 -0.85 0.00 0.00 60.65 59.66 3kn3 h LYS 219 Cb 0.20 -0.13 -0.01 0.00 -0.60 0.00 0.00 32.23 31.69 3kn3 h LYS 219 CO -0.00 0.67 0.13 0.37 -3.45 0.00 0.00 179.45 177.17 3kn3 h GLN 220 N 0.76 0.36 -0.64 1.90 4.15 -1.00 0.68 115.11 121.32 3kn3 h GLN 220 Ca 0.18 -0.05 -0.01 0.00 0.77 0.00 0.00 58.65 59.54 3kn3 h GLN 220 Cb 0.21 -0.07 -0.03 0.00 0.21 0.00 0.00 27.48 27.80 3kn3 h GLN 220 CO -0.01 0.33 0.34 0.35 -1.93 0.00 0.00 178.83 177.92 3kn3 h PHE 221 N 0.29 0.89 -0.58 3.99 3.57 -1.10 -0.84 116.94 123.17 3kn3 h PHE 221 Ca 0.09 -0.03 -0.06 0.00 3.53 0.00 0.00 57.97 61.51 3kn3 h PHE 221 Cb 0.08 -0.28 -0.02 0.00 2.79 0.00 0.00 35.95 38.52 3kn3 h PHE 221 CO -0.03 0.65 0.14 0.82 -2.23 0.00 0.00 178.31 177.66 3kn3 h ILE 222 N 0.88 1.25 -0.69 1.41 2.04 -1.03 -1.79 117.51 119.59 3kn3 h ILE 222 Ca 0.23 -0.90 -0.06 0.00 1.00 0.00 0.00 64.86 65.13 3kn3 h ILE 222 Cb 0.06 0.72 -0.03 0.00 -0.74 0.00 0.00 36.82 36.82 3kn3 h ILE 222 CO -0.03 0.33 0.21 0.44 0.00 0.00 0.00 178.15 179.09 3kn3 h ASP 223 N 0.84 0.99 0.02 1.72 3.32 -0.58 -1.17 116.42 121.56 3kn3 h ASP 223 Ca 0.18 -0.18 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3kn3 h ASP 223 Cb 0.35 -0.26 -0.00 0.00 0.22 0.00 0.00 39.33 39.64 3kn3 h ASP 223 CO 0.00 0.93 -0.02 -0.25 -1.72 0.00 0.00 179.24 178.18 3kn3 h TRP 224 N 1.02 -0.05 -0.63 4.55 7.01 -0.82 -0.03 115.95 127.01 3kn3 h TRP 224 Ca 0.22 0.00 0.05 0.00 2.11 0.00 0.00 58.89 61.27 3kn3 h TRP 224 Cb 0.30 0.02 -0.05 0.00 -2.10 0.00 0.00 29.16 27.33 3kn3 h TRP 224 CO 0.02 -0.03 0.36 0.82 -2.79 0.00 0.00 178.44 176.81 3kn3 h ILE 225 N -0.05 0.99 0.00 2.65 1.08 -1.12 -2.43 117.51 118.64 3kn3 h ILE 225 Ca 0.00 -0.23 0.00 0.00 -0.39 0.00 0.00 64.86 64.24 3kn3 h ILE 225 Cb 0.05 0.26 0.00 0.00 -3.07 0.00 0.00 36.82 34.06 3kn3 h ILE 225 CO -0.01 0.12 0.00 0.58 -0.69 0.00 0.00 178.15 178.15 3kn3 h VAL 226 N 0.67 0.00 -4.06 1.67 2.07 -0.90 -3.28 116.25 112.42 3kn3 h VAL 226 Ca 0.27 -0.70 -0.55 0.00 0.82 0.00 0.00 66.70 66.54 3kn3 h VAL 226 Cb 0.13 1.69 0.14 0.00 -1.52 0.00 0.00 31.29 31.73 3kn3 h VAL 226 CO -0.16 0.00 0.60 -0.94 0.02 0.00 0.00 177.57 177.09 3kn3 s SER 227 N -5.81 5.19 0.18 0.57 1.04 -0.05 -4.61 113.70 110.21 3kn3 s SER 227 Ca 0.04 2.75 -0.14 0.00 0.48 0.00 0.00 55.95 59.08 3kn3 s SER 227 Cb 0.07 -2.63 0.15 0.00 0.10 0.00 0.00 66.02 63.71 3kn3 s SER 227 CO 0.59 -1.62 1.73 -0.08 0.98 0.00 0.00 173.24 174.84 3kn3 h GLU 228 N 1.35 0.24 0.00 4.02 4.57 -1.88 0.52 114.58 123.40 3kn3 h GLU 228 Ca -0.51 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 57.66 3kn3 h GLU 228 Cb 1.30 -0.05 0.00 0.00 -0.16 0.00 0.00 28.75 29.84 3kn3 h GLU 228 CO 0.57 0.16 0.00 1.17 -1.18 0.00 0.00 179.01 179.73 3kn3 n LYS 229 N -5.08 0.00 0.00 1.92 4.81 -1.26 0.29 118.16 118.84 3kn3 n LYS 229 Ca 0.04 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.48 3kn3 n LYS 229 Cb 0.20 -1.04 0.00 0.00 0.02 0.00 0.00 35.03 34.21 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 -0.28 0.00 -0.09 1.64 1.13 0.18 -0.38 117.38 119.58 3kn3 n GLN 231 Ca 0.00 0.00 0.01 0.00 -1.94 0.00 0.00 57.00 55.07 3kn3 n GLN 231 Cb 0.00 0.00 0.30 0.00 0.11 0.00 0.00 30.24 30.65 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 1.49 -0.29 -1.58 0.00 -0.40 -1.86 119.26 116.61 3kn3 h ALA 232 Ca 0.00 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 54.75 3kn3 h ALA 232 Cb 0.00 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 3kn3 h ALA 232 CO 0.00 0.42 -0.05 1.49 0.00 0.00 0.00 179.25 181.11 3kn3 h GLU 233 N 0.74 0.56 -0.39 0.00 4.81 -0.90 -3.17 114.58 116.23 3kn3 h GLU 233 Ca 0.19 -0.20 -0.04 0.00 -0.13 0.00 0.00 59.36 59.17 3kn3 h GLU 233 Cb 0.05 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.37 3kn3 h GLU 233 CO -0.03 0.74 0.08 0.82 -0.73 0.00 0.00 179.01 179.89 3kn3 h ILE 234 N 0.33 1.23 -0.32 2.32 2.04 -1.74 -2.25 117.51 119.13 3kn3 h ILE 234 Ca 0.08 -0.82 0.09 0.00 1.00 0.00 0.00 64.86 65.21 3kn3 h ILE 234 Cb 0.53 1.01 -0.01 0.00 -0.74 0.00 0.00 36.82 37.61 3kn3 h ILE 234 CO 0.03 0.28 0.40 0.00 0.00 0.00 0.00 178.15 178.85 3kn3 h ALA 235 N 0.93 1.95 -0.99 1.87 0.00 -1.36 -2.57 119.26 119.09 3kn3 h ALA 235 Ca 0.12 -0.01 -0.64 0.00 0.00 0.00 0.00 54.91 54.38 3kn3 h ALA 235 Cb 0.33 0.02 -0.30 0.00 0.00 0.00 0.00 17.79 17.85 3kn3 h ALA 235 CO 0.00 -0.56 0.78 0.09 0.00 0.00 0.00 179.25 179.56 3kn3 n ASN 236 N -3.59 6.73 -0.81 0.00 3.02 -0.84 -5.12 115.26 114.65 3kn3 n ASN 236 Ca 0.05 -3.75 0.13 0.00 -0.03 0.00 0.00 54.58 50.98 3kn3 n ASN 236 Cb 0.55 -0.93 0.23 0.00 -0.61 0.00 0.00 39.78 39.02 3kn3 n ASN 236 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13