#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kna s LEU 2 N 0.00 2.90 -0.27 0.99 2.96 -0.14 -0.57 118.68 124.55 3kna s LEU 2 Ca 0.00 -0.95 -0.29 0.00 -0.22 0.00 0.00 54.13 52.67 3kna s LEU 2 Cb 0.00 -1.57 -0.02 0.00 0.50 0.00 0.00 46.19 45.11 3kna s LEU 2 CO 0.00 -0.10 1.61 -0.63 -1.32 0.00 0.00 176.35 175.90 3kna s ILE 3 N 1.25 3.71 -0.18 6.68 1.01 -1.26 -1.96 121.20 130.44 3kna s ILE 3 Ca -0.01 0.78 0.10 0.00 0.00 0.00 0.00 60.65 61.52 3kna s ILE 3 Cb -0.16 -3.78 -0.14 0.00 0.01 0.00 0.00 42.46 38.38 3kna s ILE 3 CO -0.08 -0.38 0.30 1.33 0.00 0.00 0.00 174.94 176.11 3kna n VAL 4 N 6.66 0.00 -3.66 2.92 0.24 -0.80 -4.99 118.33 118.70 3kna n VAL 4 Ca 0.19 -0.25 -0.08 0.00 -2.04 0.00 0.00 64.34 62.17 3kna n VAL 4 Cb 0.46 0.52 -0.08 0.00 -1.47 0.00 0.00 33.84 33.26 3kna n VAL 4 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3kna s ASP 5 N -2.78 -0.70 -0.17 -1.34 3.68 -1.24 -4.99 116.67 109.14 3kna s ASP 5 Ca -0.01 1.20 0.01 0.00 2.13 0.00 0.00 52.55 55.88 3kna s ASP 5 Cb 0.07 1.27 0.02 0.00 -1.45 0.00 0.00 42.92 42.83 3kna s ASP 5 CO 0.43 -0.22 -0.16 -0.89 0.13 0.00 0.00 175.17 174.46 3kna s THR 6 N 1.87 1.78 0.37 1.71 2.01 -1.26 -0.98 115.64 121.14 3kna s THR 6 Ca -0.08 -0.81 0.07 0.00 0.31 0.00 0.00 61.69 61.18 3kna s THR 6 Cb -0.08 -1.66 -0.07 0.00 0.01 0.00 0.00 72.50 70.69 3kna s THR 6 CO -0.16 0.45 -0.01 -0.13 -0.69 0.00 0.00 174.62 174.08 3kna s ARG 7 N 1.39 1.85 -0.53 4.92 0.52 -0.96 -4.97 118.95 121.17 3kna s ARG 7 Ca 0.04 -2.01 0.04 0.00 -0.52 0.00 0.00 55.73 53.28 3kna s ARG 7 Cb -0.13 -1.50 0.16 0.00 0.52 0.00 0.00 34.95 34.00 3kna s ARG 7 CO -0.11 -0.02 0.38 -0.51 0.02 0.00 0.00 175.30 175.06 3kna s ASP 8 N -3.63 3.20 0.48 0.23 -0.00 -1.26 -2.24 116.67 113.45 3kna s ASP 8 Ca 0.34 -3.28 -0.20 0.00 -0.00 0.00 0.00 52.55 49.41 3kna s ASP 8 Cb 0.07 -1.02 -0.09 0.00 -0.00 0.00 0.00 42.92 41.89 3kna s ASP 8 CO 0.17 -0.16 1.03 0.54 -0.00 0.00 0.00 175.17 176.75 3kna s VAL 9 N -0.47 3.87 -1.44 -1.27 0.11 -1.07 -4.94 120.40 115.19 3kna s VAL 9 Ca 0.27 1.16 -0.08 0.00 -2.93 0.00 0.00 61.98 60.39 3kna s VAL 9 Cb -0.05 -3.47 0.04 0.00 -1.53 0.00 0.00 36.38 31.37 3kna s VAL 9 CO -0.15 -0.25 2.53 1.21 -3.33 0.00 0.00 175.10 175.11 3kna n GLU 10 N -0.94 4.01 -3.27 1.54 4.07 -1.26 -4.73 120.64 120.06 3kna n GLU 10 Ca 0.09 -2.93 0.00 0.00 -0.06 0.00 0.00 57.16 54.27 3kna n GLU 10 Cb 0.53 -2.78 -0.03 0.00 -0.06 0.00 0.00 31.44 29.09 3kna n GLU 10 CO 0.00 0.00 0.00 -1.21 -0.06 0.00 0.00 177.13 175.86 3kna s GLU 11 N 0.63 0.51 0.19 5.31 2.02 -1.26 -5.15 118.70 120.96 3kna s GLU 11 Ca 0.58 0.96 -0.30 0.00 0.02 0.00 0.00 54.97 56.23 3kna s GLU 11 Cb 0.17 0.37 -0.08 0.00 0.10 0.00 0.00 34.13 34.68 3kna s GLU 11 CO -0.07 -0.56 1.18 1.03 0.02 0.00 0.00 175.26 176.86 3kna s ARG 12 N 2.79 4.51 -0.95 1.61 0.52 -1.26 -4.47 118.95 121.70 3kna s ARG 12 Ca 0.15 1.85 -0.00 0.00 -0.52 0.00 0.00 55.73 57.21 3kna s ARG 12 Cb -0.15 -3.24 0.32 0.00 0.52 0.00 0.00 34.95 32.40 3kna s ARG 12 CO -0.19 -0.05 1.63 0.28 0.02 0.00 0.00 175.30 176.99 3kna n VAL 13 N 2.41 5.48 -1.31 3.52 0.31 0.23 -4.95 118.33 124.02 3kna n VAL 13 Ca 0.04 -5.90 -0.51 0.00 -0.01 0.00 0.00 64.34 57.96 3kna n VAL 13 Cb 0.45 -1.57 -0.07 0.00 -0.91 0.00 0.00 33.84 31.73 3kna n VAL 13 CO 0.00 0.00 0.00 1.57 -1.32 0.00 0.00 176.83 177.08 3kna n HIS 14 N 0.02 1.24 -3.65 3.52 -0.00 -1.26 -3.55 115.22 111.54 3kna n HIS 14 Ca 0.42 0.86 -0.27 0.00 0.46 0.00 0.00 57.72 59.20 3kna n HIS 14 Cb 0.29 -1.68 -0.03 0.00 -0.12 0.00 0.00 29.99 28.45 3kna n HIS 14 CO 0.00 0.00 0.00 0.14 0.46 0.00 0.00 176.34 176.94 3kna s VAL 15 N 2.02 5.18 -0.19 3.57 -7.23 -1.26 -4.98 120.40 117.51 3kna s VAL 15 Ca 0.78 -0.38 -0.29 0.00 -1.81 0.00 0.00 61.98 60.28 3kna s VAL 15 Cb -1.12 -3.76 0.00 0.00 0.56 0.00 0.00 36.38 32.07 3kna s VAL 15 CO 0.60 -0.24 1.04 -0.04 -0.31 0.00 0.00 175.10 176.15 3kna s MET 16 N -3.50 4.31 -0.33 4.82 1.00 -1.26 -4.95 119.30 119.39 3kna s MET 16 Ca 0.39 1.39 0.11 0.00 0.00 0.00 0.00 55.69 57.57 3kna s MET 16 Cb -0.11 -3.62 0.46 0.00 0.00 0.00 0.00 34.83 31.57 3kna s MET 16 CO 0.30 -0.54 1.13 0.54 0.00 0.00 0.00 175.02 176.44 3kna n ARG 17 N 5.94 2.95 -3.62 2.03 1.74 -1.26 -4.78 116.66 119.66 3kna n ARG 17 Ca 0.11 -4.04 -0.08 0.00 -0.77 0.00 0.00 57.85 53.07 3kna n ARG 17 Cb 0.47 -2.03 -0.09 0.00 -1.02 0.00 0.00 32.46 29.78 3kna n ARG 17 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 3kna s LYS 18 N -3.57 0.33 0.48 5.56 2.36 -1.26 -4.65 119.74 118.99 3kna s LYS 18 Ca 0.43 1.00 -0.23 0.00 -2.55 0.00 0.00 55.97 54.62 3kna s LYS 18 Cb 0.40 0.28 -0.07 0.00 -1.05 0.00 0.00 37.83 37.38 3kna s LYS 18 CO -0.03 -0.29 1.23 -0.08 1.55 0.00 0.00 175.35 177.73 3kna s THR 19 N 2.62 2.76 -1.14 3.43 -1.32 -1.26 -4.93 115.64 115.79 3kna s THR 19 Ca -0.00 0.59 0.24 0.00 -1.21 0.00 0.00 61.69 61.30 3kna s THR 19 Cb -0.12 -3.30 -0.03 0.00 -1.51 0.00 0.00 72.50 67.53 3kna s THR 19 CO -0.13 0.01 1.27 0.29 -2.21 0.00 0.00 174.62 173.84 3kna n LYS 20 N -0.56 0.16 -3.00 7.08 5.02 -1.26 -4.93 118.16 120.67 3kna n LYS 20 Ca 0.08 -0.11 -0.40 0.00 -2.02 0.00 0.00 58.31 55.86 3kna n LYS 20 Cb 0.47 -1.50 -0.05 0.00 -0.02 0.00 0.00 35.03 33.93 3kna n LYS 20 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3kna s LEU 21 N -2.91 4.42 0.03 -0.35 1.43 -1.26 -3.55 118.68 116.49 3kna s LEU 21 Ca 0.12 1.39 0.02 0.00 -1.03 0.00 0.00 54.13 54.63 3kna s LEU 21 Cb 0.17 -3.19 -0.02 0.00 0.03 0.00 0.00 46.19 43.18 3kna s LEU 21 CO 0.72 -0.01 -0.07 0.00 0.23 0.00 0.00 176.35 177.22 3kna s ALA 22 N 0.10 0.54 0.50 4.21 0.00 -0.08 -4.91 121.76 122.11 3kna s ALA 22 Ca 0.38 -0.64 -0.23 0.00 0.00 0.00 0.00 51.96 51.46 3kna s ALA 22 Cb -0.20 0.01 -0.07 0.00 0.00 0.00 0.00 23.12 22.87 3kna s ALA 22 CO 0.22 0.01 1.37 -2.30 0.00 0.00 0.00 175.76 175.06 3kna n PRO 23 N 1.79 1.92 -2.13 0.00 -0.02 -1.26 -0.95 135.00 134.35 3kna n PRO 23 Ca -0.21 0.69 -0.11 0.00 -2.02 0.00 0.00 63.50 61.86 3kna n PRO 23 Cb 0.55 -2.57 0.04 0.00 -0.02 0.00 0.00 33.50 31.49 3kna n PRO 23 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 3kna n THR 24 N -0.66 0.00 0.29 3.45 -2.24 0.18 -4.81 114.28 110.49 3kna n THR 24 Ca 0.08 -1.07 0.17 0.00 -2.27 0.00 0.00 64.05 60.96 3kna n THR 24 Cb 0.43 -0.70 0.83 0.00 -2.10 0.00 0.00 70.33 68.78 3kna n THR 24 CO 0.00 0.00 0.00 1.62 -0.57 0.00 0.00 175.07 176.12 3kna h VAL 25 N 0.09 0.15 0.00 2.28 3.04 -1.87 -2.56 116.25 117.38 3kna h VAL 25 Ca -0.15 -0.42 -0.07 0.00 -1.01 0.00 0.00 66.70 65.05 3kna h VAL 25 Cb 0.69 1.35 -0.01 0.00 -2.01 0.00 0.00 31.29 31.31 3kna h VAL 25 CO 0.22 0.04 -0.32 0.00 -1.01 0.00 0.00 177.57 176.50 3kna h ALA 26 N 1.96 0.82 -0.89 3.17 0.00 -1.86 -3.28 119.26 119.17 3kna h ALA 26 Ca -0.00 -0.29 0.07 0.00 0.00 0.00 0.00 54.91 54.69 3kna h ALA 26 Cb 0.35 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 18.03 3kna h ALA 26 CO 0.01 0.40 0.58 1.25 0.00 0.00 0.00 179.25 181.49 3kna h HIS 27 N 0.00 1.01 0.00 0.00 6.17 -1.63 0.12 115.15 120.82 3kna h HIS 27 Ca -0.00 0.03 -0.07 0.00 0.71 0.00 0.00 60.37 61.03 3kna h HIS 27 Cb 1.17 -0.33 -0.01 0.00 2.52 0.00 0.00 27.41 30.76 3kna h HIS 27 CO 0.00 0.51 -0.34 0.78 0.71 0.00 0.00 177.93 179.59 3kna h GLY 28 N 0.98 0.00 0.39 5.26 0.00 -1.74 -1.99 103.07 105.97 3kna h GLY 28 Ca 0.39 0.00 -0.26 0.00 0.00 0.00 0.00 47.33 47.46 3kna h GLY 28 CO -0.15 0.00 -1.38 -2.08 0.00 0.00 0.00 176.54 172.92 3kna h VAL 29 N 0.00 0.98 0.00 4.60 2.07 -1.24 -3.40 116.25 119.26 3kna h VAL 29 Ca -0.00 -2.33 -0.17 0.00 0.82 0.00 0.00 66.70 65.01 3kna h VAL 29 Cb 0.68 2.59 -0.03 0.00 -1.52 0.00 0.00 31.29 33.01 3kna h VAL 29 CO 0.04 0.63 -1.29 -0.26 0.02 0.00 0.00 177.57 176.71 3kna h PHE 30 N -0.46 0.00 -6.72 1.57 0.04 -0.91 -3.49 116.94 106.97 3kna h PHE 30 Ca -0.32 0.00 -0.48 0.00 2.80 0.00 0.00 57.97 59.97 3kna h PHE 30 Cb 1.64 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 39.79 3kna h PHE 30 CO 0.12 0.63 -1.05 0.09 -0.60 0.00 0.00 178.31 177.49 3kna n ASN 31 N -2.97 -4.88 -4.79 2.17 5.03 -0.75 -4.90 115.26 104.17 3kna n ASN 31 Ca -0.08 -0.97 -0.37 0.00 0.87 0.00 0.00 54.58 54.03 3kna n ASN 31 Cb 0.85 -1.79 -0.06 0.00 -1.02 0.00 0.00 39.78 37.75 3kna n ASN 31 CO 0.00 0.00 0.00 -2.16 -1.83 0.00 0.00 177.26 173.27 3kna s PRO 32 N -5.10 4.52 0.00 3.52 0.04 -1.26 -4.92 135.00 131.81 3kna s PRO 32 Ca 0.04 1.27 -0.01 0.00 0.04 0.00 0.00 61.00 62.34 3kna s PRO 32 Cb -0.02 -2.75 -0.05 0.00 0.04 0.00 0.00 34.50 31.71 3kna s PRO 32 CO 0.90 0.26 1.72 0.39 0.04 0.00 0.00 177.00 180.31 3kna n GLU 33 N 0.47 0.87 -4.56 4.56 1.02 -1.26 -4.79 120.64 116.96 3kna n GLU 33 Ca 0.02 -0.20 -0.27 0.00 -0.02 0.00 0.00 57.16 56.69 3kna n GLU 33 Cb 0.50 -1.36 -0.08 0.00 -0.02 0.00 0.00 31.44 30.48 3kna n GLU 33 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 3kna s PHE 34 N 0.95 1.83 0.00 -0.32 0.40 -1.26 -0.19 117.98 119.39 3kna s PHE 34 Ca 0.13 -1.18 0.00 0.00 -0.60 0.00 0.00 56.93 55.28 3kna s PHE 34 Cb 0.06 -1.27 0.00 0.00 0.51 0.00 0.00 43.02 42.33 3kna s PHE 34 CO 0.00 -0.16 0.00 0.41 0.70 0.00 0.00 175.22 176.17 3kna n GLY 35 N -0.96 1.89 3.74 4.36 0.00 -0.51 -4.62 105.19 109.09 3kna n GLY 35 Ca -0.08 -0.70 -0.42 0.00 0.00 0.00 0.00 46.02 44.83 3kna n GLY 35 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3kna s PRO 36 N -2.00 4.17 0.75 1.61 0.02 -1.26 -0.35 135.00 137.94 3kna s PRO 36 Ca 0.00 2.48 -0.15 0.00 0.02 0.00 0.00 61.00 63.35 3kna s PRO 36 Cb 0.00 -3.07 0.04 0.00 0.02 0.00 0.00 34.50 31.49 3kna s PRO 36 CO 0.00 -0.58 1.13 0.00 -0.33 0.00 0.00 177.00 177.22 3kna n ALA 37 N 2.61 0.10 -2.30 -1.55 0.00 -0.07 -4.85 120.51 114.45 3kna n ALA 37 Ca 0.09 -0.22 -0.42 0.00 0.00 0.00 0.00 53.44 52.89 3kna n ALA 37 Cb 0.38 -2.21 -0.03 0.00 0.00 0.00 0.00 19.45 17.59 3kna n ALA 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kna s ALA 38 N -1.87 3.46 -0.61 0.00 0.00 -1.26 -4.86 121.76 116.62 3kna s ALA 38 Ca 0.75 0.95 0.10 0.00 0.00 0.00 0.00 51.96 53.77 3kna s ALA 38 Cb -0.33 -3.47 -0.09 0.00 0.00 0.00 0.00 23.12 19.23 3kna s ALA 38 CO 0.49 -0.49 0.49 1.28 0.00 0.00 0.00 175.76 177.53 3kna n LEU 39 N 3.79 0.66 -4.06 0.00 4.77 -1.26 -4.80 117.00 116.11 3kna n LEU 39 Ca 0.09 -0.56 -0.16 0.00 -0.03 0.00 0.00 56.01 55.35 3kna n LEU 39 Cb 0.45 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.41 3kna n LEU 39 CO 0.57 0.15 -0.42 -0.55 -1.33 0.00 0.00 177.39 175.80 3kna s SER 40 N -1.87 1.06 0.59 -1.43 0.15 -1.26 -4.55 113.70 106.39 3kna s SER 40 Ca 0.05 -0.39 0.35 0.00 0.70 0.00 0.00 55.95 56.66 3kna s SER 40 Cb 0.08 -0.04 1.81 0.00 -1.71 0.00 0.00 66.02 66.16 3kna s SER 40 CO 0.39 -0.05 2.18 0.78 1.20 0.00 0.00 173.24 177.75 3kna h ASN 41 N 5.07 0.00 -0.64 5.45 2.35 -1.96 -2.63 115.58 123.23 3kna h ASN 41 Ca -0.34 0.00 -0.20 0.00 -0.55 0.00 0.00 56.30 55.20 3kna h ASN 41 Cb 1.19 0.00 -0.12 0.00 0.05 0.00 0.00 38.32 39.44 3kna h ASN 41 CO 0.44 0.04 0.26 0.29 -1.65 0.00 0.00 177.43 176.81 3kna n LYS 42 N -3.36 3.19 -2.49 0.81 5.02 -1.26 -4.91 118.16 115.15 3kna n LYS 42 Ca -0.02 -2.54 -0.42 0.00 -2.02 0.00 0.00 58.31 53.31 3kna n LYS 42 Cb 0.18 -2.06 -0.03 0.00 -0.02 0.00 0.00 35.03 33.11 3kna n LYS 42 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3kna s ASP 43 N -0.76 7.06 0.59 4.39 -1.08 -0.99 -4.92 116.67 120.97 3kna s ASP 43 Ca 0.46 1.73 0.37 0.00 -0.52 0.00 0.00 52.55 54.59 3kna s ASP 43 Cb 0.37 -2.55 1.80 0.00 -1.46 0.00 0.00 42.92 41.08 3kna s ASP 43 CO 0.11 -0.60 2.16 1.55 0.52 0.00 0.00 175.17 178.90 3kna h PRO 44 N 7.55 0.00 0.00 4.34 0.13 -1.92 -2.42 132.00 139.68 3kna h PRO 44 Ca -0.31 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.81 3kna h PRO 44 Cb 1.14 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.27 3kna h PRO 44 CO 0.90 0.03 -0.02 0.00 -0.23 0.00 0.00 178.00 178.67 3kna h ARG 45 N 0.00 0.00 -7.18 0.86 3.08 -1.95 -3.46 114.38 105.73 3kna h ARG 45 Ca -0.00 0.00 -0.52 0.00 0.07 0.00 0.00 59.98 59.53 3kna h ARG 45 Cb 0.28 0.00 0.12 0.00 0.08 0.00 0.00 29.97 30.44 3kna h ARG 45 CO 0.00 0.02 0.38 -0.51 -1.07 0.00 0.00 179.97 178.80 3kna s LEU 46 N -6.23 3.39 0.08 3.04 1.43 -0.91 -4.62 118.68 114.86 3kna s LEU 46 Ca 0.05 2.12 -0.31 0.00 -1.03 0.00 0.00 54.13 54.96 3kna s LEU 46 Cb 0.07 -4.56 -0.06 0.00 0.03 0.00 0.00 46.19 41.66 3kna s LEU 46 CO 0.63 -1.80 1.20 0.20 0.23 0.00 0.00 176.35 176.81 3kna s ASN 47 N -2.36 7.08 -0.09 2.29 0.01 -0.90 -4.95 114.94 116.03 3kna s ASN 47 Ca 0.70 2.05 -0.35 0.00 -0.71 0.00 0.00 52.86 54.55 3kna s ASN 47 Cb -0.23 -2.58 -0.12 0.00 0.41 0.00 0.00 41.25 38.72 3kna s ASN 47 CO 0.42 -0.46 1.83 -0.62 -1.51 0.00 0.00 177.10 176.76 3kna n GLU 48 N 3.72 2.05 0.00 -0.60 -0.58 -1.26 -1.30 120.64 122.66 3kna n GLU 48 Ca 0.08 0.75 0.00 0.00 -0.42 0.00 0.00 57.16 57.57 3kna n GLU 48 Cb 0.46 -2.57 0.00 0.00 -0.57 0.00 0.00 31.44 28.76 3kna n GLU 48 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3kna n GLY 49 N 4.27 1.96 3.65 0.62 0.00 -1.26 -5.06 105.19 109.37 3kna n GLY 49 Ca 0.23 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.82 3kna n GLY 49 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kna s VAL 50 N -2.06 3.71 -0.46 1.61 1.01 -0.42 -4.97 120.40 118.81 3kna s VAL 50 Ca 0.00 0.83 -0.19 0.00 0.00 0.00 0.00 61.98 62.62 3kna s VAL 50 Cb 0.00 -3.63 0.04 0.00 0.00 0.00 0.00 36.38 32.79 3kna s VAL 50 CO 0.00 -0.17 0.55 -0.69 0.00 0.00 0.00 175.10 174.79 3kna s VAL 51 N 4.56 4.96 0.16 2.92 1.01 -1.26 -4.92 120.40 127.83 3kna s VAL 51 Ca 0.71 -0.33 -0.23 0.00 0.00 0.00 0.00 61.98 62.13 3kna s VAL 51 Cb -0.28 -4.18 0.05 0.00 0.00 0.00 0.00 36.38 31.97 3kna s VAL 51 CO 0.28 -0.61 1.61 0.25 0.00 0.00 0.00 175.10 176.62 3kna h LEU 52 N 9.43 -0.99 -0.80 3.92 5.85 -1.91 -0.61 115.31 130.20 3kna h LEU 52 Ca -0.27 0.18 0.00 0.00 0.84 0.00 0.00 57.88 58.63 3kna h LEU 52 Cb 1.10 0.47 0.00 0.00 0.37 0.00 0.00 40.66 42.60 3kna h LEU 52 CO 0.88 -0.31 0.00 -0.90 -0.34 0.00 0.00 178.44 177.77 3kna n ASP 53 N -5.41 0.69 -0.03 1.25 5.75 -1.26 -1.62 116.55 115.91 3kna n ASP 53 Ca 0.01 -1.71 -0.03 0.00 -0.01 0.00 0.00 54.79 53.04 3kna n ASP 53 Cb 0.33 -0.34 -0.05 0.00 -1.03 0.00 0.00 41.12 40.02 3kna n ASP 53 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 3kna n GLU 54 N -0.04 2.81 0.08 0.11 1.02 -0.26 -4.61 120.64 119.75 3kna n GLU 54 Ca 0.00 -0.01 -0.11 0.00 -0.02 0.00 0.00 57.16 57.02 3kna n GLU 54 Cb 0.17 -1.17 -0.13 0.00 -0.02 0.00 0.00 31.44 30.29 3kna n GLU 54 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 3kna h VAL 55 N 0.00 1.61 -0.63 2.62 2.07 -1.06 -2.91 116.25 117.95 3kna h VAL 55 Ca -0.17 -3.25 0.07 0.00 0.82 0.00 0.00 66.70 64.18 3kna h VAL 55 Cb 1.36 2.89 -0.06 0.00 -1.52 0.00 0.00 31.29 33.96 3kna h VAL 55 CO 0.01 0.94 0.30 0.40 0.02 0.00 0.00 177.57 179.24 3kna h ILE 56 N 0.04 0.88 -0.13 4.57 2.04 -1.56 -2.36 117.51 120.98 3kna h ILE 56 Ca -0.07 -0.19 0.00 0.00 1.00 0.00 0.00 64.86 65.60 3kna h ILE 56 Cb 1.86 0.28 0.00 0.00 -0.74 0.00 0.00 36.82 38.23 3kna h ILE 56 CO 0.17 0.10 0.00 0.49 0.00 0.00 0.00 178.15 178.91 3kna n PHE 57 N -4.88 0.15 0.29 1.37 3.01 -1.25 -4.16 117.46 111.99 3kna n PHE 57 Ca 0.08 -0.07 0.10 0.00 1.01 0.00 0.00 57.45 58.57 3kna n PHE 57 Cb 0.22 0.00 0.48 0.00 -0.01 0.00 0.00 39.48 40.17 3kna n PHE 57 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 3kna n SER 58 N 1.25 0.54 0.26 4.37 3.41 -0.89 -1.79 113.62 120.77 3kna n SER 58 Ca 0.16 0.68 0.14 0.00 -0.26 0.00 0.00 58.87 59.59 3kna n SER 58 Cb 0.57 -0.78 0.67 0.00 -0.26 0.00 0.00 64.21 64.41 3kna n SER 58 CO 0.00 0.00 0.00 0.07 -0.16 0.00 0.00 175.04 174.95 3kna h LYS 59 N 0.00 0.00 -5.69 4.33 2.10 -1.72 -3.37 116.57 112.22 3kna h LYS 59 Ca 0.00 0.00 -0.63 0.00 -2.00 0.00 0.00 60.65 58.02 3kna h LYS 59 Cb 0.20 0.00 -0.13 0.00 -0.90 0.00 0.00 32.23 31.40 3kna h LYS 59 CO 0.00 0.11 1.23 -1.01 -2.00 0.00 0.00 179.45 177.78 3kna s HIS 60 N -3.85 2.76 -0.28 0.07 3.76 -0.74 -4.46 115.29 112.54 3kna s HIS 60 Ca -0.01 -1.04 0.11 0.00 -0.15 0.00 0.00 55.06 53.97 3kna s HIS 60 Cb 0.11 -4.53 0.63 0.00 1.11 0.00 0.00 32.58 29.89 3kna s HIS 60 CO 0.57 -1.76 1.62 1.63 -0.85 0.00 0.00 174.74 175.95 3kna n LYS 61 N 7.98 2.99 0.00 1.40 5.02 -1.14 -4.62 118.16 129.79 3kna n LYS 61 Ca 0.29 -3.04 0.00 0.00 -2.02 0.00 0.00 58.31 53.54 3kna n LYS 61 Cb 0.50 -2.02 0.00 0.00 -0.02 0.00 0.00 35.03 33.50 3kna n LYS 61 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3kna n GLY 62 N -0.53 1.77 2.70 0.72 0.00 0.27 -5.00 105.19 105.11 3kna n GLY 62 Ca 0.34 -2.16 -0.30 0.00 0.00 0.00 0.00 46.02 43.91 3kna n GLY 62 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3kna s ASP 63 N 0.00 3.75 0.00 1.61 2.15 -1.26 -3.64 116.67 119.28 3kna s ASP 63 Ca 0.00 -2.16 -0.36 0.00 0.43 0.00 0.00 52.55 50.46 3kna s ASP 63 Cb 0.00 -0.90 -0.15 0.00 -0.30 0.00 0.00 42.92 41.57 3kna s ASP 63 CO 0.00 -0.34 1.55 0.41 -0.17 0.00 0.00 175.17 176.63 3kna n THR 64 N 4.15 0.14 -3.49 1.71 -1.04 -1.26 -4.90 114.28 109.59 3kna n THR 64 Ca 0.04 -0.03 -0.42 0.00 -2.04 0.00 0.00 64.05 61.61 3kna n THR 64 Cb 0.38 -1.21 -0.10 0.00 -1.82 0.00 0.00 70.33 67.58 3kna n THR 64 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 3kna s LYS 65 N 1.69 3.05 0.42 -2.82 -0.14 -1.26 -4.52 119.74 116.15 3kna s LYS 65 Ca 0.87 -0.96 -0.23 0.00 -1.36 0.00 0.00 55.97 54.29 3kna s LYS 65 Cb -0.88 -3.92 -0.09 0.00 -1.68 0.00 0.00 37.83 31.26 3kna s LYS 65 CO 0.49 -0.69 1.07 -1.64 -0.76 0.00 0.00 175.35 173.82 3kna s MET 66 N 1.67 4.06 0.97 1.68 -1.94 -1.26 -5.04 119.30 119.43 3kna s MET 66 Ca 0.05 1.55 -0.14 0.00 -1.71 0.00 0.00 55.69 55.44 3kna s MET 66 Cb -0.19 -2.48 0.17 0.00 2.01 0.00 0.00 34.83 34.34 3kna s MET 66 CO 0.10 -0.24 1.15 -1.54 -0.01 0.00 0.00 175.02 174.47 3kna s SER 67 N -1.56 3.01 0.20 3.03 1.04 -1.26 -4.78 113.70 113.38 3kna s SER 67 Ca 0.60 0.87 -0.11 0.00 0.48 0.00 0.00 55.95 57.79 3kna s SER 67 Cb -0.23 -1.35 0.14 0.00 0.10 0.00 0.00 66.02 64.68 3kna s SER 67 CO 0.28 -2.85 1.87 0.00 0.98 0.00 0.00 173.24 173.52 3kna h ALA 68 N -1.71 0.93 -0.42 5.32 0.00 -1.99 -0.50 119.26 120.90 3kna h ALA 68 Ca -0.50 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.30 3kna h ALA 68 Cb 1.32 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.80 3kna h ALA 68 CO 0.55 0.36 0.04 1.49 0.00 0.00 0.00 179.25 181.69 3kna h GLU 69 N 0.99 0.71 -0.57 0.00 4.81 -2.00 -1.54 114.58 116.99 3kna h GLU 69 Ca 0.27 -0.21 -0.10 0.00 -0.13 0.00 0.00 59.36 59.19 3kna h GLU 69 Cb -0.09 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.19 3kna h GLU 69 CO -0.06 0.77 -0.03 -0.44 -0.73 0.00 0.00 179.01 178.52 3kna h ASP 70 N 0.55 0.98 -0.27 1.04 3.32 -1.88 -2.53 116.42 117.63 3kna h ASP 70 Ca 0.12 -0.29 -0.08 0.00 0.02 0.00 0.00 57.03 56.81 3kna h ASP 70 Cb 0.42 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.69 3kna h ASP 70 CO 0.01 1.05 -0.10 0.11 -1.72 0.00 0.00 179.24 178.60 3kna h LYS 71 N 0.91 0.68 -0.56 3.56 1.57 -0.95 -1.28 116.57 120.50 3kna h LYS 71 Ca 0.16 -0.21 -0.08 0.00 -1.87 0.00 0.00 60.65 58.65 3kna h LYS 71 Cb 0.57 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.80 3kna h LYS 71 CO 0.03 0.76 0.03 0.00 -0.57 0.00 0.00 179.45 179.71 3kna h ALA 72 N 1.27 0.75 -0.49 3.86 0.00 -1.10 -2.08 119.26 121.47 3kna h ALA 72 Ca 0.11 -0.28 -0.09 0.00 0.00 0.00 0.00 54.91 54.65 3kna h ALA 72 Cb 0.54 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 3kna h ALA 72 CO 0.03 0.55 -0.05 1.25 0.00 0.00 0.00 179.25 181.03 3kna h LEU 73 N 0.86 0.89 -0.55 0.00 5.85 -1.22 -2.59 115.31 118.55 3kna h LEU 73 Ca 0.16 -0.33 -0.00 0.00 0.84 0.00 0.00 57.88 58.55 3kna h LEU 73 Cb 0.50 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.26 3kna h LEU 73 CO 0.02 1.01 0.34 0.15 -0.34 0.00 0.00 178.44 179.62 3kna h PHE 74 N 0.76 0.73 -0.27 1.25 3.57 -1.09 -0.54 116.94 121.35 3kna h PHE 74 Ca 0.13 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.61 3kna h PHE 74 Cb 0.59 -0.24 -0.01 0.00 2.79 0.00 0.00 35.95 39.07 3kna h PHE 74 CO 0.04 0.50 0.07 -0.09 -2.23 0.00 0.00 178.31 176.60 3kna h ARG 75 N 0.75 0.38 -0.05 1.11 2.43 -1.32 0.34 114.38 118.01 3kna h ARG 75 Ca 0.20 -0.05 -0.14 0.00 -0.81 0.00 0.00 59.98 59.17 3kna h ARG 75 Cb -0.02 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.45 3kna h ARG 75 CO -0.04 0.36 -0.62 -0.09 -1.51 0.00 0.00 179.97 178.08 3kna h ARG 76 N 0.38 0.19 0.12 0.20 2.43 -0.88 -1.32 114.38 115.50 3kna h ARG 76 Ca 0.09 -0.13 -0.28 0.00 -0.81 0.00 0.00 59.98 58.85 3kna h ARG 76 Cb 0.15 0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 29.72 3kna h ARG 76 CO -0.00 0.74 -1.30 0.00 -1.51 0.00 0.00 179.97 177.89 3kna h ALA 78 N 0.58 0.33 -0.77 0.00 0.00 -0.25 -0.99 119.26 118.16 3kna h ALA 78 Ca -0.16 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.55 3kna h ALA 78 Cb 1.97 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 19.63 3kna h ALA 78 CO 0.19 -0.03 0.29 0.00 0.00 0.00 0.00 179.25 179.70 3kna h ALA 79 N 0.90 1.05 -0.45 0.00 0.00 -1.35 0.23 119.26 119.64 3kna h ALA 79 Ca 0.08 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.74 3kna h ALA 79 Cb 0.26 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 3kna h ALA 79 CO -0.00 0.66 0.11 -0.44 0.00 0.00 0.00 179.25 179.58 3kna h ASP 80 N 1.13 0.68 -0.45 0.00 3.32 -1.33 0.15 116.42 119.93 3kna h ASP 80 Ca 0.26 -0.23 -0.11 0.00 0.02 0.00 0.00 57.03 56.97 3kna h ASP 80 Cb 0.24 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.60 3kna h ASP 80 CO -0.02 0.74 -0.13 0.22 -1.72 0.00 0.00 179.24 178.33 3kna h TYR 81 N 0.59 1.00 -0.70 4.55 3.20 -1.02 -2.34 116.97 122.26 3kna h TYR 81 Ca 0.14 -0.22 0.04 0.00 3.14 0.00 0.00 58.73 61.83 3kna h TYR 81 Cb 0.32 -0.24 -0.05 0.00 1.54 0.00 0.00 36.73 38.30 3kna h TYR 81 CO 0.02 0.99 0.42 0.00 -1.64 0.00 0.00 178.16 177.95 3kna h ALA 82 N 0.86 0.92 -0.21 1.82 0.00 -0.75 0.24 119.26 122.14 3kna h ALA 82 Ca 0.11 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 55.06 3kna h ALA 82 Cb 0.68 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.24 3kna h ALA 82 CO 0.05 0.16 -0.05 1.03 0.00 0.00 0.00 179.25 180.44 3kna h SER 83 N 0.80 -0.20 -0.24 0.00 0.87 -0.47 0.15 113.55 114.47 3kna h SER 83 Ca 0.29 0.06 -0.00 0.00 -1.23 0.00 0.00 61.79 60.91 3kna h SER 83 Cb 0.09 0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 62.17 3kna h SER 83 CO -0.14 -0.07 0.14 -0.09 -0.53 0.00 0.00 176.83 176.14 3kna h ARG 84 N 0.00 0.34 0.31 2.24 9.65 -0.96 -1.68 114.38 124.28 3kna h ARG 84 Ca 0.10 -0.04 -0.01 0.00 -1.10 0.00 0.00 59.98 58.94 3kna h ARG 84 Cb 0.16 -0.07 -0.01 0.00 -1.39 0.00 0.00 29.97 28.66 3kna h ARG 84 CO -0.22 0.29 -0.24 1.25 2.80 0.00 0.00 179.97 183.86 3kna h LEU 85 N 0.29 -0.61 -0.26 3.80 5.85 0.04 -2.49 115.31 121.93 3kna h LEU 85 Ca 0.09 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.85 3kna h LEU 85 Cb 0.05 0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.27 3kna h LEU 85 CO -0.01 -0.36 0.00 1.41 -0.34 0.00 0.00 178.44 179.13 3kna n HIS 86 N -5.36 0.62 0.06 1.25 8.25 0.48 -1.41 115.22 119.10 3kna n HIS 86 Ca -0.09 0.21 -0.10 0.00 -0.26 0.00 0.00 57.72 57.47 3kna n HIS 86 Cb 0.27 -0.84 0.01 0.00 1.12 0.00 0.00 29.99 30.55 3kna n HIS 86 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 3kna h SER 87 N 0.00 0.46 0.08 0.41 0.87 -0.87 -1.75 113.55 112.74 3kna h SER 87 Ca 0.00 -0.32 -0.24 0.00 -1.23 0.00 0.00 61.79 60.00 3kna h SER 87 Cb 0.49 -0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 62.30 3kna h SER 87 CO 0.00 1.07 -1.23 0.58 -0.53 0.00 0.00 176.83 176.73 3kna h VAL 88 N 0.25 1.09 -0.09 2.23 2.07 -1.11 -3.39 116.25 117.29 3kna h VAL 88 Ca -0.04 -2.35 -0.14 0.00 0.82 0.00 0.00 66.70 64.99 3kna h VAL 88 Cb 1.37 2.69 0.01 0.00 -1.52 0.00 0.00 31.29 33.83 3kna h VAL 88 CO 0.13 0.62 -0.50 -0.07 0.02 0.00 0.00 177.57 177.77 3kna h LEU 89 N -0.52 0.60 0.00 2.57 3.38 -1.36 -3.51 115.31 116.48 3kna h LEU 89 Ca -0.28 -0.65 0.00 0.00 0.09 0.00 0.00 57.88 57.04 3kna h LEU 89 Cb 1.58 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 42.16 3kna h LEU 89 CO -0.00 1.15 0.00 0.61 0.09 0.00 0.00 178.44 180.29 3kna n GLY 90 N 0.73 -0.53 0.12 0.83 0.00 -0.66 -4.81 105.19 100.86 3kna n GLY 90 Ca -0.08 -2.21 0.07 0.00 0.00 0.00 0.00 46.02 43.79 3kna n GLY 90 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3kna n THR 91 N -0.01 1.63 -2.49 2.61 -2.24 -1.26 -4.74 114.28 107.78 3kna n THR 91 Ca 0.00 -1.85 -0.43 0.00 -2.27 0.00 0.00 64.05 59.50 3kna n THR 91 Cb 0.00 -0.01 0.00 0.00 -2.10 0.00 0.00 70.33 68.22 3kna n THR 91 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3kna n ALA 92 N -1.06 3.95 -1.67 6.98 0.00 -1.26 -4.12 120.51 123.33 3kna n ALA 92 Ca 0.12 -3.92 0.06 0.00 0.00 0.00 0.00 53.44 49.69 3kna n ALA 92 Cb 0.54 -3.51 0.17 0.00 0.00 0.00 0.00 19.45 16.65 3kna n ALA 92 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3kna n ASN 93 N 7.55 1.64 -4.74 0.00 3.02 -1.22 -4.61 115.26 116.90 3kna n ASN 93 Ca 0.48 -3.46 -0.37 0.00 -0.03 0.00 0.00 54.58 51.20 3kna n ASN 93 Cb 0.44 -0.47 0.05 0.00 -0.61 0.00 0.00 39.78 39.19 3kna n ASN 93 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3kna s ALA 94 N -2.62 2.55 0.21 5.41 0.00 -1.06 -4.30 121.76 121.96 3kna s ALA 94 Ca 0.35 1.16 -0.32 0.00 0.00 0.00 0.00 51.96 53.16 3kna s ALA 94 Cb 0.35 -3.52 -0.13 0.00 0.00 0.00 0.00 23.12 19.82 3kna s ALA 94 CO -0.07 -1.37 1.50 -2.30 0.00 0.00 0.00 175.76 173.52 3kna n PRO 95 N -1.56 2.16 -2.21 0.00 -0.02 -1.26 -4.63 135.00 127.47 3kna n PRO 95 Ca 0.14 0.77 -0.36 0.00 -2.02 0.00 0.00 63.50 62.03 3kna n PRO 95 Cb 0.48 -2.49 0.00 0.00 -0.02 0.00 0.00 33.50 31.47 3kna n PRO 95 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3kna s LEU 96 N 0.37 3.85 0.55 2.45 1.02 0.54 -5.00 118.68 122.45 3kna s LEU 96 Ca 0.72 2.28 -0.17 0.00 0.02 0.00 0.00 54.13 56.97 3kna s LEU 96 Cb -0.64 -4.44 -0.05 0.00 0.02 0.00 0.00 46.19 41.08 3kna s LEU 96 CO 0.45 -1.16 1.05 -0.94 0.02 0.00 0.00 176.35 175.77 3kna s SER 97 N -1.56 5.99 0.39 2.29 1.04 -1.26 -4.69 113.70 115.90 3kna s SER 97 Ca 0.70 1.86 0.20 0.00 0.48 0.00 0.00 55.95 59.18 3kna s SER 97 Cb -0.27 -2.54 1.18 0.00 0.10 0.00 0.00 66.02 64.49 3kna s SER 97 CO 0.31 -1.02 1.69 0.40 0.98 0.00 0.00 173.24 175.60 3kna h ILE 98 N 0.84 0.34 0.05 -1.02 2.04 -1.95 0.39 117.51 118.19 3kna h ILE 98 Ca -0.48 -0.10 -0.00 0.00 1.00 0.00 0.00 64.86 65.28 3kna h ILE 98 Cb 1.22 0.02 0.00 0.00 -0.74 0.00 0.00 36.82 37.32 3kna h ILE 98 CO 0.58 0.05 -0.02 0.22 0.00 0.00 0.00 178.15 178.98 3kna h TYR 99 N 0.29 -0.06 0.00 1.37 3.20 -1.91 -3.11 116.97 116.75 3kna h TYR 99 Ca 0.71 -0.00 -0.03 0.00 3.14 0.00 0.00 58.73 62.54 3kna h TYR 99 Cb 1.85 0.02 -0.00 0.00 1.54 0.00 0.00 36.73 40.14 3kna h TYR 99 CO -0.01 0.29 -0.16 0.93 -1.64 0.00 0.00 178.16 177.58 3kna h GLU 100 N -0.42 0.00 -0.31 1.82 5.08 -1.29 -1.53 114.58 117.93 3kna h GLU 100 Ca -0.01 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.20 3kna h GLU 100 Cb 0.38 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.62 3kna h GLU 100 CO 0.01 0.16 -0.42 0.00 -1.00 0.00 0.00 179.01 177.76 3kna h ALA 101 N 1.84 0.66 0.10 3.43 0.00 -1.22 0.17 119.26 124.25 3kna h ALA 101 Ca -0.00 -0.46 -0.00 0.00 0.00 0.00 0.00 54.91 54.44 3kna h ALA 101 Cb 0.40 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.08 3kna h ALA 101 CO 0.02 0.67 -0.05 0.82 0.00 0.00 0.00 179.25 180.71 3kna h ILE 102 N 0.63 0.33 0.00 0.00 2.04 -1.37 -3.36 117.51 115.79 3kna h ILE 102 Ca 0.05 -1.11 -0.06 0.00 1.00 0.00 0.00 64.86 64.74 3kna h ILE 102 Cb 0.98 0.61 -0.01 0.00 -0.74 0.00 0.00 36.82 37.66 3kna h ILE 102 CO 0.09 0.10 -0.29 0.50 0.00 0.00 0.00 178.15 178.56 3kna h LYS 103 N -1.01 0.00 0.00 2.37 1.63 -1.42 -1.77 116.57 116.37 3kna h LYS 103 Ca -0.01 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.79 3kna h LYS 103 Cb 0.28 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.91 3kna h LYS 103 CO 0.02 0.29 0.00 0.41 -3.45 0.00 0.00 179.45 176.72 3kna n GLY 104 N 0.10 -1.12 3.31 5.01 0.00 0.60 -3.89 105.19 109.19 3kna n GLY 104 Ca -0.00 -1.63 -0.19 0.00 0.00 0.00 0.00 46.02 44.20 3kna n GLY 104 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3kna s VAL 105 N -1.58 0.13 -0.29 1.61 -7.23 -0.85 -4.82 120.40 107.37 3kna s VAL 105 Ca 0.00 -2.00 -0.32 0.00 -1.81 0.00 0.00 61.98 57.85 3kna s VAL 105 Cb 0.00 -2.48 -0.09 0.00 0.56 0.00 0.00 36.38 34.37 3kna s VAL 105 CO 0.00 0.00 2.19 -0.67 -0.31 0.00 0.00 175.10 176.31 3kna n ASP 106 N -1.20 2.62 0.00 4.85 2.03 -1.26 0.36 116.55 123.95 3kna n ASP 106 Ca 0.04 0.36 0.00 0.00 0.52 0.00 0.00 54.79 55.71 3kna n ASP 106 Cb 0.64 -1.38 0.00 0.00 -0.72 0.00 0.00 41.12 39.66 3kna n ASP 106 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3kna n GLY 107 N 6.15 0.44 2.79 0.27 0.00 -1.26 -4.88 105.19 108.70 3kna n GLY 107 Ca 0.36 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.13 3kna n GLY 107 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3kna s LEU 108 N 0.00 0.89 0.77 0.99 2.96 0.16 -4.46 118.68 119.98 3kna s LEU 108 Ca 0.00 -0.33 -0.12 0.00 -0.22 0.00 0.00 54.13 53.46 3kna s LEU 108 Cb 0.00 -0.57 0.06 0.00 0.50 0.00 0.00 46.19 46.18 3kna s LEU 108 CO 0.00 -0.21 1.12 -1.81 -1.32 0.00 0.00 176.35 174.13 3kna s ASP 109 N 1.88 4.31 0.65 3.68 1.01 -1.26 -2.02 116.67 124.92 3kna s ASP 109 Ca 0.03 1.99 -0.13 0.00 0.71 0.00 0.00 52.55 55.15 3kna s ASP 109 Cb -0.14 -2.54 -0.01 0.00 1.01 0.00 0.00 42.92 41.24 3kna s ASP 109 CO -0.06 -2.17 1.06 0.00 0.21 0.00 0.00 175.17 174.21 3kna s ALA 110 N -2.63 2.68 0.49 5.23 0.00 -1.25 -4.56 121.76 121.73 3kna s ALA 110 Ca 0.65 0.26 -0.22 0.00 0.00 0.00 0.00 51.96 52.65 3kna s ALA 110 Cb -0.20 -3.21 -0.06 0.00 0.00 0.00 0.00 23.12 19.64 3kna s ALA 110 CO 0.52 -1.04 1.20 -1.64 0.00 0.00 0.00 175.76 174.80 3kna s MET 111 N -4.51 3.54 -0.07 0.00 -1.94 -0.67 -4.95 119.30 110.70 3kna s MET 111 Ca 0.61 1.85 -0.30 0.00 -1.71 0.00 0.00 55.69 56.15 3kna s MET 111 Cb -0.15 -2.30 -0.05 0.00 2.01 0.00 0.00 34.83 34.34 3kna s MET 111 CO 0.45 -0.75 1.56 -1.21 -0.01 0.00 0.00 175.02 175.06 3kna s GLU 112 N -2.84 4.20 0.16 2.03 0.41 -1.26 -4.92 118.70 116.47 3kna s GLU 112 Ca 0.67 2.08 -0.10 0.00 -0.41 0.00 0.00 54.97 57.20 3kna s GLU 112 Cb -0.30 -3.91 0.00 0.00 -1.78 0.00 0.00 34.13 28.14 3kna s GLU 112 CO 0.36 -0.80 1.54 -1.35 -0.49 0.00 0.00 175.26 174.52 3kna h PRO 113 N 9.14 1.00 -1.92 0.39 0.11 -1.98 -3.36 132.00 135.38 3kna h PRO 113 Ca -0.37 -0.44 -0.55 0.00 0.11 0.00 0.00 66.00 64.75 3kna h PRO 113 Cb 1.16 -0.03 -0.41 0.00 0.11 0.00 0.00 31.00 31.83 3kna h PRO 113 CO 0.95 1.12 -0.81 -3.47 -0.21 0.00 0.00 178.00 175.58 3kna n ASP 114 N -4.10 3.63 -3.61 -2.05 2.03 -1.26 -3.76 116.55 107.43 3kna n ASP 114 Ca -0.00 -3.49 -0.19 0.00 0.52 0.00 0.00 54.79 51.63 3kna n ASP 114 Cb 0.47 -0.54 -0.04 0.00 -0.72 0.00 0.00 41.12 40.29 3kna n ASP 114 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 3kna n THR 115 N -0.20 0.00 -1.50 5.18 -2.24 -1.26 -5.03 114.28 109.23 3kna n THR 115 Ca 0.30 -1.43 -0.44 0.00 -2.27 0.00 0.00 64.05 60.22 3kna n THR 115 Cb 0.55 0.25 -0.01 0.00 -2.10 0.00 0.00 70.33 69.02 3kna n THR 115 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3kna n ALA 116 N -2.06 -1.26 -0.06 6.98 0.00 -1.26 -4.33 120.51 118.52 3kna n ALA 116 Ca -0.12 0.29 -0.19 0.00 0.00 0.00 0.00 53.44 53.42 3kna n ALA 116 Cb 0.38 -1.84 -0.13 0.00 0.00 0.00 0.00 19.45 17.87 3kna n ALA 116 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3kna n PRO 117 N 0.70 0.71 0.00 0.00 -0.04 -1.26 -4.85 135.00 130.25 3kna n PRO 117 Ca 0.12 0.21 0.00 0.00 -0.04 0.00 0.00 63.50 63.78 3kna n PRO 117 Cb 0.34 -1.62 0.00 0.00 -0.04 0.00 0.00 33.50 32.18 3kna n PRO 117 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3kna n GLY 118 N 2.10 -1.29 3.70 0.55 0.00 -1.26 -1.60 105.19 107.38 3kna n GLY 118 Ca -0.38 -2.10 -0.30 0.00 0.00 0.00 0.00 46.02 43.23 3kna n GLY 118 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kna s LEU 119 N 0.00 3.50 -0.35 0.99 1.43 -1.26 -0.99 118.68 122.00 3kna s LEU 119 Ca 0.00 -0.14 0.04 0.00 -1.03 0.00 0.00 54.13 53.00 3kna s LEU 119 Cb 0.00 -2.21 0.54 0.00 0.03 0.00 0.00 46.19 44.56 3kna s LEU 119 CO 0.00 0.19 1.72 -0.81 0.23 0.00 0.00 176.35 177.68 3kna n PRO 120 N 0.65 2.10 0.25 1.29 -0.04 -1.26 -4.65 135.00 133.33 3kna n PRO 120 Ca -0.11 -2.41 0.14 0.00 -0.04 0.00 0.00 63.50 61.08 3kna n PRO 120 Cb 0.52 -1.95 0.48 0.00 -0.04 0.00 0.00 33.50 32.51 3kna n PRO 120 CO 0.00 0.00 0.00 -1.49 -0.04 0.00 0.00 175.50 173.97 3kna h TRP 121 N 0.91 0.00 0.19 0.54 4.06 -1.83 -2.95 115.95 116.87 3kna h TRP 121 Ca 0.49 0.00 -0.32 0.00 2.06 0.00 0.00 58.89 61.12 3kna h TRP 121 Cb 2.46 0.00 0.03 0.00 -1.00 0.00 0.00 29.16 30.66 3kna h TRP 121 CO 1.26 0.07 -1.36 0.00 -3.56 0.00 0.00 178.44 174.85 3kna h ALA 122 N 1.93 -0.07 0.00 1.49 0.00 -1.29 -1.64 119.26 119.68 3kna h ALA 122 Ca -0.00 -0.82 0.00 0.00 0.00 0.00 0.00 54.91 54.09 3kna h ALA 122 Cb 0.73 0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.65 3kna h ALA 122 CO 0.01 0.72 0.00 1.28 0.00 0.00 0.00 179.25 181.26 3kna n LEU 123 N -3.73 0.56 -0.91 0.00 4.77 -1.14 -1.98 117.00 114.57 3kna n LEU 123 Ca -0.15 0.65 0.07 0.00 -0.03 0.00 0.00 56.01 56.56 3kna n LEU 123 Cb 1.05 -0.59 0.23 0.00 -2.33 0.00 0.00 43.42 41.78 3kna n LEU 123 CO 0.59 -0.57 0.69 0.00 -1.33 0.00 0.00 177.39 176.78 3kna n GLN 124 N -2.14 3.06 -3.44 3.23 6.02 -1.13 -5.00 117.38 117.98 3kna n GLN 124 Ca 0.02 -2.52 -0.20 0.00 -0.01 0.00 0.00 57.00 54.30 3kna n GLN 124 Cb 0.20 -1.61 0.04 0.00 1.02 0.00 0.00 30.24 29.88 3kna n GLN 124 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3kna n GLY 125 N 0.20 -1.13 2.85 1.08 0.00 -0.84 -5.02 105.19 102.32 3kna n GLY 125 Ca 0.18 0.51 -0.15 0.00 0.00 0.00 0.00 46.02 46.56 3kna n GLY 125 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kna s LYS 126 N -4.80 0.16 0.68 1.61 1.02 -0.63 -5.04 119.74 112.73 3kna s LYS 126 Ca 0.33 0.04 -0.03 0.00 0.02 0.00 0.00 55.97 56.33 3kna s LYS 126 Cb -0.09 -0.27 0.08 0.00 -0.52 0.00 0.00 37.83 37.03 3kna s LYS 126 CO 0.81 -0.06 0.95 1.03 -0.92 0.00 0.00 175.35 177.15 3kna s ARG 127 N 0.54 2.02 0.26 1.68 3.00 -1.26 -4.50 118.95 120.69 3kna s ARG 127 Ca -0.05 -0.74 -0.05 0.00 0.00 0.00 0.00 55.73 54.89 3kna s ARG 127 Cb -0.08 -2.31 0.30 0.00 0.00 0.00 0.00 34.95 32.87 3kna s ARG 127 CO -0.01 -1.22 1.91 0.00 0.00 0.00 0.00 175.30 175.97 3kna h ARG 128 N -0.43 1.21 0.00 3.54 3.08 -1.79 -2.56 114.38 117.43 3kna h ARG 128 Ca -0.41 -0.11 0.00 0.00 0.07 0.00 0.00 59.98 59.53 3kna h ARG 128 Cb 1.29 -0.25 0.00 0.00 0.08 0.00 0.00 29.97 31.08 3kna h ARG 128 CO 0.49 0.84 0.02 0.78 -1.07 0.00 0.00 179.97 181.03 3kna h GLY 129 N 1.23 0.00 0.83 0.04 0.00 -1.76 -0.08 103.07 103.32 3kna h GLY 129 Ca 0.32 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.63 3kna h GLY 129 CO -0.06 0.00 -1.21 0.00 0.00 0.00 0.00 176.54 175.27 3kna n ALA 130 N -1.82 2.50 -0.10 3.60 0.00 -0.96 -4.27 120.51 119.46 3kna n ALA 130 Ca -0.02 -0.32 -0.13 0.00 0.00 0.00 0.00 53.44 52.98 3kna n ALA 130 Cb 0.06 -1.03 -0.15 0.00 0.00 0.00 0.00 19.45 18.33 3kna n ALA 130 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3kna n LEU 131 N -2.63 1.07 -4.00 0.00 4.77 -0.21 -4.90 117.00 111.09 3kna n LEU 131 Ca -0.02 -0.01 -0.23 0.00 -0.03 0.00 0.00 56.01 55.72 3kna n LEU 131 Cb 0.59 -0.01 -0.16 0.00 -2.33 0.00 0.00 43.42 41.50 3kna n LEU 131 CO 0.41 0.64 -0.45 -0.63 -1.33 0.00 0.00 177.39 176.03 3kna s ILE 132 N -2.51 0.97 -0.70 -0.08 1.01 -0.24 -0.61 121.20 119.04 3kna s ILE 132 Ca -0.18 -0.41 -0.27 0.00 0.00 0.00 0.00 60.65 59.79 3kna s ILE 132 Cb 0.07 -0.89 0.03 0.00 0.01 0.00 0.00 42.46 41.68 3kna s ILE 132 CO 0.76 0.31 1.29 -0.62 0.00 0.00 0.00 174.94 176.67 3kna s ASP 133 N 0.53 6.18 0.13 3.58 -1.08 0.09 -4.38 116.67 121.72 3kna s ASP 133 Ca -0.10 -0.31 0.25 0.00 -0.52 0.00 0.00 52.55 51.86 3kna s ASP 133 Cb -0.13 -2.56 0.94 0.00 -1.46 0.00 0.00 42.92 39.71 3kna s ASP 133 CO 0.02 -1.79 1.76 0.49 0.52 0.00 0.00 175.17 176.18 3kna n PHE 134 N 9.32 0.50 -0.03 -5.34 3.72 -1.26 -1.42 117.46 122.95 3kna n PHE 134 Ca 0.05 0.16 -0.00 0.00 -0.05 0.00 0.00 57.45 57.61 3kna n PHE 134 Cb 0.49 -0.76 -0.00 0.00 -0.94 0.00 0.00 39.48 38.27 3kna n PHE 134 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 176.76 178.20 3kna h GLU 135 N 0.00 0.00 0.00 -1.08 4.57 -1.95 -3.39 114.58 112.73 3kna h GLU 135 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 3kna h GLU 135 Cb 0.53 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.12 3kna h GLU 135 CO 0.00 0.00 0.00 -0.91 -1.18 0.00 0.00 179.01 176.92 3kna h ASN 136 N -0.49 0.00 -1.82 1.04 4.21 -2.00 -3.48 115.58 113.04 3kna h ASN 136 Ca 0.00 0.00 -0.03 0.00 1.21 0.00 0.00 56.30 57.48 3kna h ASN 136 Cb 0.03 0.00 0.01 0.00 -1.12 0.00 0.00 38.32 37.24 3kna h ASN 136 CO 0.00 0.00 -0.06 0.61 -1.29 0.00 0.00 177.43 176.69 3kna n GLY 137 N 1.13 0.62 3.49 2.83 0.00 -0.51 -5.01 105.19 107.74 3kna n GLY 137 Ca 0.05 -0.52 -0.24 0.00 0.00 0.00 0.00 46.02 45.30 3kna n GLY 137 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3kna s THR 138 N -3.03 2.19 0.12 2.61 -4.23 -1.05 -4.16 115.64 108.10 3kna s THR 138 Ca 0.03 -2.26 0.09 0.00 -1.18 0.00 0.00 61.69 58.36 3kna s THR 138 Cb -0.01 -2.46 -0.04 0.00 1.34 0.00 0.00 72.50 71.33 3kna s THR 138 CO 0.06 -0.31 -0.16 0.68 -0.54 0.00 0.00 174.62 174.35 3kna s VAL 139 N -2.66 2.94 0.96 2.29 -7.23 -1.26 -0.74 120.40 114.71 3kna s VAL 139 Ca 0.30 -1.50 -0.15 0.00 -1.81 0.00 0.00 61.98 58.82 3kna s VAL 139 Cb -0.00 -2.37 0.21 0.00 0.56 0.00 0.00 36.38 34.78 3kna s VAL 139 CO 0.15 0.07 1.32 -0.83 -0.31 0.00 0.00 175.10 175.49 3kna s GLY 140 N -2.25 1.80 0.26 2.32 0.00 0.22 -4.81 107.32 104.86 3kna s GLY 140 Ca 0.19 -1.30 -0.05 0.00 0.00 0.00 0.00 44.72 43.57 3kna s GLY 140 CO 0.11 -0.51 1.91 -2.55 0.00 0.00 0.00 173.10 172.06 3kna h PRO 141 N -1.63 1.23 0.69 2.90 0.11 -1.96 -1.07 132.00 132.27 3kna h PRO 141 Ca -0.44 -0.10 -0.03 0.00 0.11 0.00 0.00 66.00 65.54 3kna h PRO 141 Cb 1.23 -0.26 0.01 0.00 0.11 0.00 0.00 31.00 32.08 3kna h PRO 141 CO 0.35 0.85 -0.33 0.93 -0.21 0.00 0.00 178.00 179.59 3kna h GLU 142 N 1.25 -0.89 -0.42 1.05 3.07 -1.94 -1.40 114.58 115.31 3kna h GLU 142 Ca 0.33 0.06 0.07 0.00 -0.50 0.00 0.00 59.36 59.32 3kna h GLU 142 Cb -0.07 0.20 -0.06 0.00 -0.84 0.00 0.00 28.75 27.99 3kna h GLU 142 CO -0.06 -0.59 0.07 0.28 -1.40 0.00 0.00 179.01 177.30 3kna h VAL 143 N -0.93 0.76 -0.93 3.13 2.07 -1.84 -1.85 116.25 116.67 3kna h VAL 143 Ca -0.09 -0.07 0.13 0.00 0.82 0.00 0.00 66.70 67.49 3kna h VAL 143 Cb 0.71 0.55 -0.14 0.00 -1.52 0.00 0.00 31.29 30.89 3kna h VAL 143 CO 0.16 0.04 -0.43 -0.08 0.02 0.00 0.00 177.57 177.27 3kna h GLU 144 N 0.19 -0.03 -0.59 1.57 4.57 -1.10 0.24 114.58 119.44 3kna h GLU 144 Ca 0.20 0.00 -0.05 0.00 -1.18 0.00 0.00 59.36 58.34 3kna h GLU 144 Cb 0.26 0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 28.83 3kna h GLU 144 CO -0.28 -0.02 0.18 0.00 -1.18 0.00 0.00 179.01 177.71 3kna h ALA 145 N 1.09 0.77 -0.82 2.92 0.00 -0.60 -2.88 119.26 119.74 3kna h ALA 145 Ca 0.28 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 3kna h ALA 145 Cb 0.55 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 18.08 3kna h ALA 145 CO -0.93 0.43 0.43 0.00 0.00 0.00 0.00 179.25 179.19 3kna h ALA 146 N 1.05 1.05 -0.67 0.00 0.00 -0.26 -2.33 119.26 118.12 3kna h ALA 146 Ca 0.19 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 54.97 3kna h ALA 146 Cb 0.28 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 3kna h ALA 146 CO -0.01 0.58 0.44 -0.07 0.00 0.00 0.00 179.25 180.20 3kna h LEU 147 N 1.15 0.76 -0.52 0.00 3.38 -0.42 -1.64 115.31 118.03 3kna h LEU 147 Ca 0.29 -0.02 -0.05 0.00 0.09 0.00 0.00 57.88 58.19 3kna h LEU 147 Cb 0.06 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 3kna h LEU 147 CO -0.04 0.55 0.15 0.11 0.09 0.00 0.00 178.44 179.30 3kna h LYS 148 N 0.90 0.82 -0.57 1.13 1.79 -1.24 -2.55 116.57 116.85 3kna h LYS 148 Ca 0.24 -0.18 0.04 0.00 -2.18 0.00 0.00 60.65 58.57 3kna h LYS 148 Cb -0.10 -0.11 -0.03 0.00 -1.58 0.00 0.00 32.23 30.40 3kna h LYS 148 CO -0.05 0.77 0.38 -0.07 -1.08 0.00 0.00 179.45 179.39 3kna h LEU 149 N 0.71 0.54 -0.72 2.94 3.38 -0.91 -1.26 115.31 119.99 3kna h LEU 149 Ca 0.17 -0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.05 3kna h LEU 149 Cb 0.30 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 3kna h LEU 149 CO -0.00 0.37 -0.40 0.24 0.09 0.00 0.00 178.44 178.74 3kna h MET 150 N 0.63 0.00 -0.24 1.13 2.86 -1.03 -0.30 114.93 117.98 3kna h MET 150 Ca 0.23 0.00 -0.19 0.00 -2.06 0.00 0.00 59.70 57.68 3kna h MET 150 Cb 0.14 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.80 3kna h MET 150 CO -0.06 0.40 -0.60 0.93 1.06 0.00 0.00 176.91 178.64 3kna h GLU 151 N 0.00 0.79 0.00 1.72 5.08 -0.86 -2.96 114.58 118.34 3kna h GLU 151 Ca -0.00 -0.53 0.00 0.00 -1.00 0.00 0.00 59.36 57.83 3kna h GLU 151 Cb 1.01 0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.34 3kna h GLU 151 CO 0.05 1.15 0.00 1.63 -1.00 0.00 0.00 179.01 180.85 3kna n LYS 152 N -3.98 0.24 -2.32 2.33 5.02 -0.79 -4.92 118.16 113.74 3kna n LYS 152 Ca -0.05 0.29 -0.08 0.00 -2.02 0.00 0.00 58.31 56.46 3kna n LYS 152 Cb 0.65 -1.83 0.00 0.00 -0.02 0.00 0.00 35.03 33.83 3kna n LYS 152 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3kna n ARG 153 N -2.26 -1.11 -0.01 1.97 1.74 -0.24 -4.93 116.66 111.81 3kna n ARG 153 Ca 0.04 0.34 0.02 0.00 -0.77 0.00 0.00 57.85 57.48 3kna n ARG 153 Cb 0.36 -4.12 0.02 0.00 -1.02 0.00 0.00 32.46 27.70 3kna n ARG 153 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 3kna n GLU 154 N -1.79 0.34 -2.24 5.56 1.02 -0.51 -5.02 120.64 118.00 3kna n GLU 154 Ca -0.07 -0.94 -0.42 0.00 -0.02 0.00 0.00 57.16 55.71 3kna n GLU 154 Cb 0.56 -1.07 -0.03 0.00 -0.02 0.00 0.00 31.44 30.88 3kna n GLU 154 CO 0.00 0.00 0.00 -0.47 1.18 0.00 0.00 177.13 177.84 3kna s TYR 155 N -0.46 3.09 0.27 -0.32 5.04 -1.19 -5.00 117.35 118.79 3kna s TYR 155 Ca 0.05 0.95 0.11 0.00 -2.44 0.00 0.00 57.07 55.74 3kna s TYR 155 Cb 0.03 -3.63 -0.05 0.00 0.35 0.00 0.00 41.96 38.67 3kna s TYR 155 CO 0.04 -2.22 -0.15 0.15 -1.34 0.00 0.00 175.55 172.03 3kna s LYS 156 N 1.71 1.82 0.34 4.97 1.02 -1.26 -5.00 119.74 123.34 3kna s LYS 156 Ca 0.63 -1.67 -0.16 0.00 0.02 0.00 0.00 55.97 54.80 3kna s LYS 156 Cb -0.33 -1.87 0.04 0.00 -0.52 0.00 0.00 37.83 35.14 3kna s LYS 156 CO 0.28 0.34 0.72 -0.59 -0.92 0.00 0.00 175.35 175.18 3kna s PHE 157 N -2.41 0.15 0.03 3.18 -0.12 -1.26 -5.13 117.98 112.41 3kna s PHE 157 Ca 0.30 -0.70 0.04 0.00 -0.05 0.00 0.00 56.93 56.52 3kna s PHE 157 Cb -0.06 0.67 -0.02 0.00 -0.63 0.00 0.00 43.02 42.99 3kna s PHE 157 CO 0.16 -1.40 -0.11 0.00 -0.05 0.00 0.00 175.22 173.82 3kna s ALA 158 N -2.94 0.91 -0.22 1.99 0.00 -1.26 -4.56 121.76 115.68 3kna s ALA 158 Ca 0.16 -0.71 -0.15 0.00 0.00 0.00 0.00 51.96 51.27 3kna s ALA 158 Cb -0.05 -0.12 -0.04 0.00 0.00 0.00 0.00 23.12 22.91 3kna s ALA 158 CO 0.11 0.15 0.35 0.00 0.00 0.00 0.00 175.76 176.37 3kna s GLN 160 N 1.39 4.59 -0.24 0.00 0.74 0.32 -0.42 119.66 126.04 3kna s GLN 160 Ca 0.16 1.40 -0.16 0.00 0.05 0.00 0.00 55.36 56.81 3kna s GLN 160 Cb -0.15 -3.43 -0.03 0.00 1.10 0.00 0.00 33.01 30.50 3kna s GLN 160 CO 0.08 0.04 0.44 0.99 -0.55 0.00 0.00 175.29 176.28 3kna s THR 161 N 0.69 5.14 -0.06 -0.34 2.01 -1.08 -0.19 115.64 121.81 3kna s THR 161 Ca 0.50 0.75 0.05 0.00 0.31 0.00 0.00 61.69 63.29 3kna s THR 161 Cb -0.22 -3.76 -0.01 0.00 0.01 0.00 0.00 72.50 68.52 3kna s THR 161 CO 0.28 0.17 -0.21 -0.36 -0.69 0.00 0.00 174.62 173.80 3kna s PHE 162 N 1.87 2.54 -0.25 4.92 0.08 0.60 -4.90 117.98 122.84 3kna s PHE 162 Ca 0.19 -0.59 -0.29 0.00 0.12 0.00 0.00 56.93 56.36 3kna s PHE 162 Cb -0.15 -1.63 0.00 0.00 -0.57 0.00 0.00 43.02 40.67 3kna s PHE 162 CO 0.09 -0.13 1.16 -0.51 -0.10 0.00 0.00 175.22 175.73 3kna s LEU 163 N -0.23 4.04 -0.49 -0.37 1.43 -1.26 0.10 118.68 121.90 3kna s LEU 163 Ca -0.01 1.36 -0.28 0.00 -1.03 0.00 0.00 54.13 54.17 3kna s LEU 163 Cb -0.13 -3.54 -0.01 0.00 0.03 0.00 0.00 46.19 42.54 3kna s LEU 163 CO 0.03 -0.82 1.66 -0.75 0.23 0.00 0.00 176.35 176.69 3kna s LYS 164 N 3.58 3.14 -0.61 1.70 2.20 -0.63 -4.90 119.74 124.22 3kna s LYS 164 Ca 0.50 0.84 -0.27 0.00 -0.36 0.00 0.00 55.97 56.67 3kna s LYS 164 Cb -0.16 -4.21 0.01 0.00 -1.51 0.00 0.00 37.83 31.95 3kna s LYS 164 CO 0.14 -2.11 1.50 0.34 -0.36 0.00 0.00 175.35 174.86 3kna s ASP 165 N 5.93 5.92 0.29 1.43 2.15 -1.26 -4.70 116.67 126.43 3kna s ASP 165 Ca 0.66 0.14 -0.16 0.00 0.43 0.00 0.00 52.55 53.62 3kna s ASP 165 Cb -0.15 -2.54 0.02 0.00 -0.30 0.00 0.00 42.92 39.94 3kna s ASP 165 CO 0.27 -1.90 0.63 -1.83 -0.17 0.00 0.00 175.17 172.17 3kna s GLU 166 N 5.94 1.80 -0.12 4.34 -1.05 -1.26 -5.01 118.70 123.34 3kna s GLU 166 Ca 0.52 -1.23 -0.22 0.00 -0.15 0.00 0.00 54.97 53.90 3kna s GLU 166 Cb -0.11 0.55 -0.03 0.00 -0.44 0.00 0.00 34.13 34.10 3kna s GLU 166 CO 0.22 -0.80 0.66 0.42 0.95 0.00 0.00 175.26 176.71 3kna s ILE 167 N -3.58 5.04 0.09 1.83 -1.09 -1.26 -0.89 121.20 121.34 3kna s ILE 167 Ca 0.17 1.32 0.04 0.00 -2.23 0.00 0.00 60.65 59.95 3kna s ILE 167 Cb -0.04 -3.99 -0.03 0.00 -1.58 0.00 0.00 42.46 36.82 3kna s ILE 167 CO 0.10 0.19 -0.11 -0.13 -1.23 0.00 0.00 174.94 173.76 3kna s ARG 168 N 1.26 0.84 0.08 2.79 0.52 0.52 -4.90 118.95 120.05 3kna s ARG 168 Ca 0.33 -1.10 -0.35 0.00 -0.52 0.00 0.00 55.73 54.09 3kna s ARG 168 Cb -0.17 -0.61 -0.15 0.00 0.52 0.00 0.00 34.95 34.55 3kna s ARG 168 CO 0.14 0.11 1.52 -0.35 0.02 0.00 0.00 175.30 176.74 3kna n PRO 169 N 0.76 1.68 -0.38 3.54 -0.04 -1.26 -1.43 135.00 137.87 3kna n PRO 169 Ca -0.17 0.61 0.29 0.00 -0.04 0.00 0.00 63.50 64.18 3kna n PRO 169 Cb 0.57 -2.33 0.56 0.00 -0.04 0.00 0.00 33.50 32.26 3kna n PRO 169 CO 0.00 0.00 0.00 0.52 -0.04 0.00 0.00 175.50 175.98 3kna h MET 170 N 5.74 0.22 -0.72 0.54 2.86 -0.83 0.12 114.93 122.87 3kna h MET 170 Ca -0.46 -0.01 0.01 0.00 -2.06 0.00 0.00 59.70 57.17 3kna h MET 170 Cb 1.29 -0.05 -0.04 0.00 0.06 0.00 0.00 31.60 32.87 3kna h MET 170 CO 0.85 0.15 0.47 1.49 1.06 0.00 0.00 176.91 180.94 3kna h GLU 171 N 0.23 0.94 0.02 1.72 4.81 -1.88 0.24 114.58 120.66 3kna h GLU 171 Ca 0.74 -0.06 -0.24 0.00 -0.13 0.00 0.00 59.36 59.67 3kna h GLU 171 Cb 2.02 -0.21 -0.03 0.00 0.63 0.00 0.00 28.75 31.16 3kna h GLU 171 CO -0.46 0.62 -1.24 0.87 -0.73 0.00 0.00 179.01 178.07 3kna h LYS 172 N 0.96 0.04 -0.06 1.92 1.57 -1.12 -2.07 116.57 117.82 3kna h LYS 172 Ca 0.26 -0.06 -0.07 0.00 -1.87 0.00 0.00 60.65 58.92 3kna h LYS 172 Cb -0.10 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.22 3kna h LYS 172 CO -0.06 0.90 -0.27 0.28 -0.57 0.00 0.00 179.45 179.72 3kna h VAL 173 N 0.01 1.22 0.00 0.50 2.07 -1.06 0.97 116.25 119.96 3kna h VAL 173 Ca -0.11 -1.05 0.00 0.00 0.82 0.00 0.00 66.70 66.37 3kna h VAL 173 Cb 1.86 1.49 0.00 0.00 -1.52 0.00 0.00 31.29 33.12 3kna h VAL 173 CO 0.12 0.31 -0.54 -0.09 0.02 0.00 0.00 177.57 177.39 3kna h ARG 174 N 0.09 0.00 0.00 1.57 2.43 -0.92 -3.21 114.38 114.34 3kna h ARG 174 Ca 0.01 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 3kna h ARG 174 Cb 0.54 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.09 3kna h ARG 174 CO 0.04 0.00 -1.00 0.00 -1.51 0.00 0.00 179.97 177.50 3kna n ALA 175 N -1.94 3.22 -0.72 2.80 0.00 -0.78 -2.12 120.51 120.97 3kna n ALA 175 Ca 0.03 -0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.10 3kna n ALA 175 Cb 0.48 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 18.92 3kna n ALA 175 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kna n GLY 176 N 1.34 0.56 2.14 0.00 0.00 -0.12 -4.95 105.19 104.16 3kna n GLY 176 Ca 0.02 -0.71 -0.18 0.00 0.00 0.00 0.00 46.02 45.15 3kna n GLY 176 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3kna n LYS 177 N -2.72 2.23 -2.36 1.61 5.02 0.15 -4.59 118.16 117.49 3kna n LYS 177 Ca 0.00 -1.22 -0.42 0.00 -2.02 0.00 0.00 58.31 54.65 3kna n LYS 177 Cb 0.00 -2.17 -0.03 0.00 -0.02 0.00 0.00 35.03 32.82 3kna n LYS 177 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 3kna s THR 178 N 1.55 4.07 0.61 -0.18 2.01 -1.26 -4.86 115.64 117.58 3kna s THR 178 Ca 0.61 1.38 -0.17 0.00 0.31 0.00 0.00 61.69 63.82 3kna s THR 178 Cb 0.25 -3.89 -0.02 0.00 0.01 0.00 0.00 72.50 68.85 3kna s THR 178 CO -0.02 -0.03 1.13 -0.13 -0.69 0.00 0.00 174.62 174.88 3kna s ARG 179 N 2.63 2.98 0.11 4.92 0.52 -1.26 -4.79 118.95 124.06 3kna s ARG 179 Ca 0.59 1.54 0.07 0.00 -0.52 0.00 0.00 55.73 57.41 3kna s ARG 179 Cb -0.26 -1.96 -0.04 0.00 0.52 0.00 0.00 34.95 33.20 3kna s ARG 179 CO 0.22 -1.13 -0.12 -1.50 0.02 0.00 0.00 175.30 172.79 3kna s ILE 180 N -2.03 3.25 -0.19 1.52 1.10 -1.26 -1.61 121.20 121.99 3kna s ILE 180 Ca 0.71 -1.32 -0.02 0.00 -0.51 0.00 0.00 60.65 59.51 3kna s ILE 180 Cb -0.23 -2.52 -0.00 0.00 0.15 0.00 0.00 42.46 39.86 3kna s ILE 180 CO 0.35 0.11 -0.11 -0.69 -2.11 0.00 0.00 174.94 172.49 3kna s VAL 181 N -1.20 2.90 -0.90 4.00 1.01 0.28 -4.85 120.40 121.65 3kna s VAL 181 Ca 0.21 -0.67 -0.18 0.00 0.00 0.00 0.00 61.98 61.34 3kna s VAL 181 Cb -0.11 -2.27 0.15 0.00 0.00 0.00 0.00 36.38 34.14 3kna s VAL 181 CO 0.13 0.48 1.05 -1.81 0.00 0.00 0.00 175.10 174.95 3kna s ASP 182 N 1.16 6.64 -0.18 3.32 1.01 -1.26 -0.29 116.67 127.08 3kna s ASP 182 Ca 0.01 -2.14 -0.29 0.00 0.71 0.00 0.00 52.55 50.84 3kna s ASP 182 Cb -0.14 -2.36 -0.01 0.00 1.01 0.00 0.00 42.92 41.41 3kna s ASP 182 CO -0.04 -0.98 1.25 -0.69 0.21 0.00 0.00 175.17 174.92 3kna s VAL 183 N 2.25 4.30 0.00 -1.27 1.01 0.73 -0.47 120.40 126.95 3kna s VAL 183 Ca 0.30 1.57 -0.02 0.00 0.00 0.00 0.00 61.98 63.83 3kna s VAL 183 Cb -0.06 -4.03 -0.04 0.00 0.00 0.00 0.00 36.38 32.25 3kna s VAL 183 CO -0.09 -0.15 0.17 -0.76 0.00 0.00 0.00 175.10 174.27 3kna s LEU 184 N 3.52 4.31 0.24 3.92 1.02 -1.26 -0.52 118.68 129.91 3kna s LEU 184 Ca 0.54 0.31 -0.28 0.00 0.02 0.00 0.00 54.13 54.71 3kna s LEU 184 Cb -0.21 -2.62 -0.15 0.00 0.02 0.00 0.00 46.19 43.22 3kna s LEU 184 CO 0.14 0.25 0.81 -0.81 0.02 0.00 0.00 176.35 176.76 3kna n PRO 185 N 0.87 0.75 0.17 1.29 -0.04 -1.26 -4.56 135.00 132.22 3kna n PRO 185 Ca -0.10 0.26 0.11 0.00 -0.04 0.00 0.00 63.50 63.73 3kna n PRO 185 Cb 0.52 -1.48 0.64 0.00 -0.04 0.00 0.00 33.50 33.14 3kna n PRO 185 CO 0.00 0.00 0.00 -0.24 -0.04 0.00 0.00 175.50 175.22 3kna h VAL 186 N 1.62 0.94 -0.11 0.52 3.04 -1.63 -1.31 116.25 119.32 3kna h VAL 186 Ca -0.35 -0.01 -0.13 0.00 -1.01 0.00 0.00 66.70 65.20 3kna h VAL 186 Cb 1.38 0.89 -0.01 0.00 -2.01 0.00 0.00 31.29 31.55 3kna h VAL 186 CO 0.60 0.01 -0.51 1.05 -1.01 0.00 0.00 177.57 177.71 3kna h GLU 187 N 0.04 0.29 -0.48 4.17 9.09 -1.88 -1.06 114.58 124.76 3kna h GLU 187 Ca 0.08 -0.17 -0.10 0.00 0.05 0.00 0.00 59.36 59.21 3kna h GLU 187 Cb 0.25 0.01 -0.01 0.00 -1.65 0.00 0.00 28.75 27.35 3kna h GLU 187 CO -0.00 0.73 -0.11 1.25 0.05 0.00 0.00 179.01 180.93 3kna h HIS 188 N 0.23 1.03 -0.22 2.06 2.76 -1.58 -1.02 115.15 118.41 3kna h HIS 188 Ca 0.01 -0.22 -0.11 0.00 -2.20 0.00 0.00 60.37 57.85 3kna h HIS 188 Cb 0.97 -0.25 -0.01 0.00 1.55 0.00 0.00 27.41 29.67 3kna h HIS 188 CO 0.02 1.00 -0.33 0.82 -1.30 0.00 0.00 177.93 178.14 3kna h ILE 189 N 0.77 1.28 -0.13 6.26 2.04 -1.34 -2.00 117.51 124.39 3kna h ILE 189 Ca 0.12 -1.41 -0.04 0.00 1.00 0.00 0.00 64.86 64.53 3kna h ILE 189 Cb 0.66 1.47 -0.00 0.00 -0.74 0.00 0.00 36.82 38.21 3kna h ILE 189 CO 0.05 0.44 -0.06 0.25 0.00 0.00 0.00 178.15 178.83 3kna h LEU 190 N 0.40 0.28 -0.87 1.44 6.46 -0.99 -2.76 115.31 119.27 3kna h LEU 190 Ca 0.05 -0.41 -0.10 0.00 -0.12 0.00 0.00 57.88 57.29 3kna h LEU 190 Cb 0.77 -0.08 -0.01 0.00 -0.73 0.00 0.00 40.66 40.61 3kna h LEU 190 CO 0.06 0.63 -0.23 0.22 -0.62 0.00 0.00 178.44 178.50 3kna h TYR 191 N -0.08 0.65 -0.46 1.25 3.20 -1.15 -1.79 116.97 118.59 3kna h TYR 191 Ca 0.03 -0.14 -0.05 0.00 3.14 0.00 0.00 58.73 61.71 3kna h TYR 191 Cb 0.53 -0.16 -0.02 0.00 1.54 0.00 0.00 36.73 38.62 3kna h TYR 191 CO 0.07 0.76 0.08 1.15 -1.64 0.00 0.00 178.16 178.58 3kna h THR 192 N 0.51 1.21 0.00 1.81 2.02 -1.37 -0.63 112.91 116.46 3kna h THR 192 Ca 0.08 -0.80 -0.08 0.00 0.77 0.00 0.00 66.41 66.37 3kna h THR 192 Cb 0.68 0.78 -0.01 0.00 -1.74 0.00 0.00 68.15 67.86 3kna h THR 192 CO 0.05 0.29 -0.40 0.03 0.37 0.00 0.00 175.52 175.85 3kna h ARG 193 N 0.68 0.00 0.00 6.66 3.08 -1.15 -1.36 114.38 122.28 3kna h ARG 193 Ca 0.15 0.00 -0.14 0.00 0.07 0.00 0.00 59.98 60.06 3kna h ARG 193 Cb 0.31 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.34 3kna h ARG 193 CO 0.00 0.40 -0.66 0.52 -1.07 0.00 0.00 179.97 179.17 3kna h MET 194 N 0.00 0.00 0.14 0.04 2.86 -0.40 0.15 114.93 117.71 3kna h MET 194 Ca -0.00 0.00 -0.35 0.00 -2.06 0.00 0.00 59.70 57.28 3kna h MET 194 Cb 0.92 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.57 3kna h MET 194 CO 0.05 0.66 -1.87 0.52 1.06 0.00 0.00 176.91 177.33 3kna h MET 195 N 0.00 0.29 0.00 1.72 2.86 -0.91 0.15 114.93 119.04 3kna h MET 195 Ca -0.01 -0.49 0.00 0.00 -2.06 0.00 0.00 59.70 57.14 3kna h MET 195 Cb 1.25 0.18 0.00 0.00 0.06 0.00 0.00 31.60 33.09 3kna h MET 195 CO 0.09 1.19 -0.13 0.44 1.06 0.00 0.00 176.91 179.56 3kna n ILE 196 N -3.48 0.68 0.03 -1.22 -5.35 -0.54 -4.67 119.36 104.81 3kna n ILE 196 Ca -0.27 -0.77 -0.12 0.00 -0.27 0.00 0.00 62.75 61.32 3kna n ILE 196 Cb 1.06 0.46 -0.07 0.00 -1.74 0.00 0.00 39.64 39.36 3kna n ILE 196 CO 0.00 0.00 0.00 1.23 -1.76 0.00 0.00 176.55 176.02 3kna h GLY 197 N 0.00 0.04 0.36 3.28 0.00 -1.08 -0.64 103.07 105.04 3kna h GLY 197 Ca 0.00 -0.02 0.09 0.00 0.00 0.00 0.00 47.33 47.40 3kna h GLY 197 CO 0.00 0.02 0.15 -0.09 0.00 0.00 0.00 176.54 176.62 3kna h ARG 198 N 0.02 0.29 -0.30 4.80 9.65 -1.82 -1.19 114.38 125.83 3kna h ARG 198 Ca 0.01 -0.02 -0.01 0.00 -1.10 0.00 0.00 59.98 58.87 3kna h ARG 198 Cb 0.02 -0.07 -0.01 0.00 -1.39 0.00 0.00 29.97 28.52 3kna h ARG 198 CO -0.00 0.19 0.16 0.35 2.80 0.00 0.00 179.97 183.47 3kna h PHE 199 N 0.30 0.41 -0.64 2.20 3.57 -1.74 -2.31 116.94 118.73 3kna h PHE 199 Ca 0.28 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.78 3kna h PHE 199 Cb 0.36 -0.13 -0.03 0.00 2.79 0.00 0.00 35.95 38.93 3kna h PHE 199 CO -0.21 0.34 0.42 0.00 -2.23 0.00 0.00 178.31 176.63 3kna h ALA 201 N 1.25 1.67 -0.28 0.00 0.00 -1.03 -1.44 119.26 119.44 3kna h ALA 201 Ca 0.24 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 55.00 3kna h ALA 201 Cb -0.07 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.52 3kna h ALA 201 CO -0.07 0.29 -0.29 1.96 0.00 0.00 0.00 179.25 181.14 3kna h GLN 202 N 0.67 0.69 -0.77 0.00 1.08 -0.75 -2.40 115.11 113.63 3kna h GLN 202 Ca 0.20 -0.37 -0.04 0.00 -1.45 0.00 0.00 58.65 56.99 3kna h GLN 202 Cb -0.01 0.02 -0.03 0.00 -0.05 0.00 0.00 27.48 27.40 3kna h GLN 202 CO -0.05 0.98 0.32 0.52 -0.95 0.00 0.00 178.83 179.66 3kna h MET 203 N 0.43 1.15 -0.54 1.46 2.86 -0.82 -0.66 114.93 118.79 3kna h MET 203 Ca 0.04 -0.20 -0.00 0.00 -2.06 0.00 0.00 59.70 57.48 3kna h MET 203 Cb 0.86 -0.19 -0.03 0.00 0.06 0.00 0.00 31.60 32.31 3kna h MET 203 CO 0.07 0.92 0.33 0.45 1.06 0.00 0.00 176.91 179.75 3kna h HIS 204 N 1.11 0.71 -0.30 -0.22 3.86 -1.24 -2.04 115.15 117.03 3kna h HIS 204 Ca 0.26 0.00 -0.11 0.00 -1.16 0.00 0.00 60.37 59.36 3kna h HIS 204 Cb 0.19 -0.23 -0.01 0.00 1.06 0.00 0.00 27.41 28.42 3kna h HIS 204 CO 0.02 0.48 -0.26 0.77 0.86 0.00 0.00 177.93 179.80 3kna h SER 205 N 0.73 0.61 -0.85 2.45 0.02 -1.14 -3.20 113.55 112.18 3kna h SER 205 Ca 0.19 -0.22 -0.39 0.00 -0.84 0.00 0.00 61.79 60.53 3kna h SER 205 Cb -0.03 -0.17 -0.24 0.00 0.14 0.00 0.00 62.40 62.11 3kna h SER 205 CO -0.04 0.86 0.46 0.59 -1.14 0.00 0.00 176.83 177.56 3kna n ASN 206 N -4.10 3.89 -4.76 3.07 3.02 -0.28 -5.01 115.26 111.08 3kna n ASN 206 Ca -0.00 -3.52 -0.39 0.00 -0.03 0.00 0.00 54.58 50.63 3kna n ASN 206 Cb 0.43 -0.79 0.02 0.00 -0.61 0.00 0.00 39.78 38.83 3kna n ASN 206 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 3kna s ASN 207 N -1.39 5.81 0.00 6.41 2.20 -0.79 -4.75 114.94 122.43 3kna s ASN 207 Ca 0.55 2.79 0.00 0.00 -0.94 0.00 0.00 52.86 55.26 3kna s ASN 207 Cb 0.46 -2.64 0.00 0.00 -2.00 0.00 0.00 41.25 37.07 3kna s ASN 207 CO 0.10 -1.21 0.00 0.61 -2.94 0.00 0.00 177.10 173.67 3kna n GLY 208 N 0.63 1.11 0.27 0.45 0.00 0.94 -4.98 105.19 103.60 3kna n GLY 208 Ca 0.06 -1.39 0.07 0.00 0.00 0.00 0.00 46.02 44.76 3kna n GLY 208 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3kna h PRO 209 N 0.00 0.10 0.00 1.61 0.11 -1.82 -1.39 132.00 130.60 3kna h PRO 209 Ca 0.00 -0.01 -0.07 0.00 0.11 0.00 0.00 66.00 66.03 3kna h PRO 209 Cb 0.00 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 31.08 3kna h PRO 209 CO 0.00 0.08 -0.34 0.37 -0.21 0.00 0.00 178.00 177.90 3kna h GLN 210 N 0.10 0.00 -0.01 1.05 4.15 -1.93 -2.08 115.11 116.39 3kna h GLN 210 Ca 0.03 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.45 3kna h GLN 210 Cb 0.02 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.71 3kna h GLN 210 CO -0.00 0.34 -0.38 0.44 -1.93 0.00 0.00 178.83 177.29 3kna n ILE 211 N -4.02 0.00 -1.91 2.39 -5.35 -1.11 -4.91 119.36 104.45 3kna n ILE 211 Ca -0.02 -0.31 -0.11 0.00 -0.27 0.00 0.00 62.75 62.05 3kna n ILE 211 Cb 0.39 1.18 -0.02 0.00 -1.74 0.00 0.00 39.64 39.45 3kna n ILE 211 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3kna n GLY 212 N 1.19 0.34 3.01 3.28 0.00 -0.56 -4.98 105.19 107.48 3kna n GLY 212 Ca 0.06 -0.48 -0.20 0.00 0.00 0.00 0.00 46.02 45.40 3kna n GLY 212 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3kna s SER 213 N -2.64 1.25 0.00 1.61 0.15 -1.02 -2.01 113.70 111.04 3kna s SER 213 Ca 0.00 -0.19 0.13 0.00 0.70 0.00 0.00 55.95 56.58 3kna s SER 213 Cb 0.00 -0.30 0.19 0.00 -1.71 0.00 0.00 66.02 64.20 3kna s SER 213 CO 0.00 0.08 1.05 0.00 1.20 0.00 0.00 173.24 175.57 3kna n ALA 214 N 3.20 2.38 -1.83 5.45 0.00 -0.05 -0.04 120.51 129.62 3kna n ALA 214 Ca -0.17 -0.81 -0.42 0.00 0.00 0.00 0.00 53.44 52.03 3kna n ALA 214 Cb 0.55 -0.46 -0.03 0.00 0.00 0.00 0.00 19.45 19.51 3kna n ALA 214 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3kna s VAL 215 N -1.04 3.28 0.00 0.00 1.01 -1.26 -1.33 120.40 121.05 3kna s VAL 215 Ca 0.19 0.33 0.00 0.00 0.00 0.00 0.00 61.98 62.51 3kna s VAL 215 Cb 0.12 -3.24 0.00 0.00 0.00 0.00 0.00 36.38 33.26 3kna s VAL 215 CO 0.17 -0.06 0.00 0.61 0.00 0.00 0.00 175.10 175.82 3kna n GLY 216 N 4.57 0.65 3.89 4.51 0.00 -1.26 -4.02 105.19 113.54 3kna n GLY 216 Ca 0.20 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.93 3kna n GLY 216 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kna s ASN 218 N -4.31 4.48 0.35 0.00 2.47 -1.26 -5.00 114.94 111.68 3kna s ASN 218 Ca 0.56 -2.62 0.19 0.00 0.42 0.00 0.00 52.86 51.41 3kna s ASN 218 Cb -0.11 -1.60 1.26 0.00 -1.45 0.00 0.00 41.25 39.35 3kna s ASN 218 CO 0.49 -0.30 1.52 -2.65 -3.72 0.00 0.00 177.10 172.45 3kna n PRO 219 N 3.63 -0.06 -0.14 0.43 -0.02 -1.26 -0.20 135.00 137.38 3kna n PRO 219 Ca 0.05 1.34 -0.04 0.00 -2.02 0.00 0.00 63.50 62.83 3kna n PRO 219 Cb 0.37 -2.38 0.03 0.00 -0.02 0.00 0.00 33.50 31.49 3kna n PRO 219 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 3kna h ASP 220 N 0.00 -0.42 0.00 2.55 5.19 -1.97 -2.54 116.42 119.23 3kna h ASP 220 Ca 0.80 0.14 0.00 0.00 -0.62 0.00 0.00 57.03 57.35 3kna h ASP 220 Cb 2.10 0.28 0.00 0.00 0.18 0.00 0.00 39.33 41.89 3kna h ASP 220 CO -0.75 -0.15 -1.13 1.33 -3.12 0.00 0.00 179.24 175.42 3kna n VAL 221 N -5.33 0.00 0.36 -1.35 0.24 0.73 -4.49 118.33 108.48 3kna n VAL 221 Ca 0.04 -0.22 0.11 0.00 -2.04 0.00 0.00 64.34 62.23 3kna n VAL 221 Cb 0.25 0.67 -0.08 0.00 -1.47 0.00 0.00 33.84 33.21 3kna n VAL 221 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 3kna n ASP 222 N -1.64 0.47 0.29 -1.34 8.00 -0.11 -4.08 116.55 118.14 3kna n ASP 222 Ca 0.01 -0.20 0.14 0.00 0.71 0.00 0.00 54.79 55.45 3kna n ASP 222 Cb 0.32 1.25 0.86 0.00 -0.02 0.00 0.00 41.12 43.53 3kna n ASP 222 CO 0.00 0.00 0.00 -0.50 -0.39 0.00 0.00 177.20 176.31 3kna h TRP 223 N 0.00 0.00 -0.05 1.24 -0.00 -1.67 0.11 115.95 115.58 3kna h TRP 223 Ca 0.00 0.00 -0.22 0.00 -0.00 0.00 0.00 58.89 58.67 3kna h TRP 223 Cb 0.83 0.00 0.01 0.00 -0.00 0.00 0.00 29.16 29.99 3kna h TRP 223 CO 0.00 0.04 -0.87 0.37 -0.00 0.00 0.00 178.44 177.98 3kna h GLN 224 N 0.00 0.55 -0.17 0.49 5.75 -1.71 -0.51 115.11 119.52 3kna h GLN 224 Ca -0.00 -0.52 -0.15 0.00 -0.15 0.00 0.00 58.65 57.83 3kna h GLN 224 Cb 0.10 0.13 0.00 0.00 1.07 0.00 0.00 27.48 28.79 3kna h GLN 224 CO 0.00 1.15 -0.47 -0.09 -2.65 0.00 0.00 178.83 176.78 3kna h ARG 225 N 0.34 0.62 -0.08 1.69 2.43 -1.34 -2.95 114.38 115.09 3kna h ARG 225 Ca -0.07 -0.44 -0.22 0.00 -0.81 0.00 0.00 59.98 58.44 3kna h ARG 225 Cb 1.50 0.07 0.01 0.00 -0.42 0.00 0.00 29.97 31.12 3kna h ARG 225 CO 0.16 1.06 -0.85 0.74 -1.51 0.00 0.00 179.97 179.57 3kna h PHE 226 N 0.29 0.88 0.64 2.20 0.04 -0.94 -3.27 116.94 116.78 3kna h PHE 226 Ca -0.01 -0.42 -0.03 0.00 2.80 0.00 0.00 57.97 60.31 3kna h PHE 226 Cb 1.09 -0.12 0.01 0.00 2.20 0.00 0.00 35.95 39.12 3kna h PHE 226 CO 0.10 1.24 -0.31 0.78 -0.60 0.00 0.00 178.31 179.51 3kna h GLY 227 N 0.80 -0.90 2.00 -1.45 0.00 -1.13 -2.58 103.07 99.80 3kna h GLY 227 Ca -0.07 0.33 0.00 0.00 0.00 0.00 0.00 47.33 47.59 3kna h GLY 227 CO 0.16 -0.33 0.00 -0.91 0.00 0.00 0.00 176.54 175.47 3kna h THR 228 N -0.92 0.00 0.04 4.70 1.35 -1.67 -2.00 112.91 114.41 3kna h THR 228 Ca -0.09 -0.18 -0.00 0.00 -0.55 0.00 0.00 66.41 65.59 3kna h THR 228 Cb 0.68 1.16 0.00 0.00 -1.73 0.00 0.00 68.15 68.25 3kna h THR 228 CO 0.14 0.00 -0.02 -0.74 -0.25 0.00 0.00 175.52 174.66 3kna h HIS 229 N 0.00 -0.05 0.00 4.73 6.17 -1.54 -3.32 115.15 121.13 3kna h HIS 229 Ca 0.00 -0.00 -0.01 0.00 0.71 0.00 0.00 60.37 61.07 3kna h HIS 229 Cb 0.19 0.02 -0.00 0.00 2.52 0.00 0.00 27.41 30.13 3kna h HIS 229 CO 0.00 0.58 -0.07 0.74 0.71 0.00 0.00 177.93 179.89 3kna h PHE 230 N -0.75 0.00 0.00 5.26 -1.00 -1.17 -3.03 116.94 116.24 3kna h PHE 230 Ca -0.01 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.77 3kna h PHE 230 Cb 0.65 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.21 3kna h PHE 230 CO 0.15 0.07 0.00 0.00 -1.61 0.00 0.00 178.31 176.91 3kna n ALA 231 N -2.12 1.82 0.87 2.45 0.00 -0.78 -2.25 120.51 120.50 3kna n ALA 231 Ca 0.02 -0.07 0.12 0.00 0.00 0.00 0.00 53.44 53.51 3kna n ALA 231 Cb 0.45 -1.25 0.19 0.00 0.00 0.00 0.00 19.45 18.84 3kna n ALA 231 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3kna n GLN 232 N -1.33 0.09 -3.91 0.00 6.02 -1.15 -4.93 117.38 112.17 3kna n GLN 232 Ca 0.06 0.01 -0.28 0.00 -0.01 0.00 0.00 57.00 56.79 3kna n GLN 232 Cb 0.13 -1.54 -0.03 0.00 1.02 0.00 0.00 30.24 29.81 3kna n GLN 232 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.06 176.76 3kna s TYR 233 N -3.05 3.50 -0.00 1.08 1.51 -0.95 -5.03 117.35 114.39 3kna s TYR 233 Ca 0.09 0.19 -0.22 0.00 -1.01 0.00 0.00 57.07 56.12 3kna s TYR 233 Cb 0.16 -1.72 -0.20 0.00 -0.11 0.00 0.00 41.96 40.10 3kna s TYR 233 CO 0.73 0.53 1.17 0.00 -1.11 0.00 0.00 175.55 176.86 3kna h ARG 234 N 2.43 0.29 -5.74 -0.62 3.08 -1.87 -3.45 114.38 108.51 3kna h ARG 234 Ca -0.47 -0.24 -0.67 0.00 0.07 0.00 0.00 59.98 58.67 3kna h ARG 234 Cb 1.18 0.05 -0.26 0.00 0.08 0.00 0.00 29.97 31.02 3kna h ARG 234 CO 0.71 0.88 -0.78 -0.80 -1.07 0.00 0.00 179.97 178.92 3kna s ASN 235 N -6.33 3.94 -0.07 7.04 0.01 -0.17 -4.43 114.94 114.93 3kna s ASN 235 Ca -0.15 -0.29 0.01 0.00 -0.71 0.00 0.00 52.86 51.72 3kna s ASN 235 Cb 0.03 -1.28 0.02 0.00 0.41 0.00 0.00 41.25 40.43 3kna s ASN 235 CO 0.76 0.24 -0.08 -0.69 -1.51 0.00 0.00 177.10 175.83 3kna s VAL 236 N -0.09 0.83 -0.09 1.60 1.01 0.07 -1.24 120.40 122.49 3kna s VAL 236 Ca -0.02 -0.26 0.01 0.00 0.00 0.00 0.00 61.98 61.70 3kna s VAL 236 Cb -0.14 -0.82 -0.02 0.00 0.00 0.00 0.00 36.38 35.39 3kna s VAL 236 CO 0.04 0.30 -0.10 0.26 0.00 0.00 0.00 175.10 175.59 3kna s TRP 237 N 1.05 2.84 -0.73 5.22 0.51 0.58 -4.42 118.94 124.00 3kna s TRP 237 Ca -0.08 -0.28 -0.08 0.00 -2.12 0.00 0.00 56.10 53.55 3kna s TRP 237 Cb -0.14 -1.76 0.19 0.00 -0.81 0.00 0.00 33.47 30.95 3kna s TRP 237 CO -0.01 0.07 0.61 0.34 -0.51 0.00 0.00 176.95 177.45 3kna s ASP 238 N -0.27 5.95 0.06 2.95 3.68 -1.26 -1.98 116.67 125.80 3kna s ASP 238 Ca 0.03 -2.84 -0.19 0.00 2.13 0.00 0.00 52.55 51.68 3kna s ASP 238 Cb -0.13 -2.02 -0.07 0.00 -1.45 0.00 0.00 42.92 39.26 3kna s ASP 238 CO 0.03 -0.45 0.56 -0.69 0.13 0.00 0.00 175.17 174.75 3kna s VAL 239 N -0.05 4.76 0.07 1.11 1.01 -1.24 -0.14 120.40 125.92 3kna s VAL 239 Ca 0.18 1.20 0.09 0.00 0.00 0.00 0.00 61.98 63.45 3kna s VAL 239 Cb -0.15 -3.89 -0.03 0.00 0.00 0.00 0.00 36.38 32.30 3kna s VAL 239 CO -0.06 0.55 -0.22 -1.81 0.00 0.00 0.00 175.10 173.55 3kna s ASP 240 N -1.04 3.53 0.25 3.32 -0.00 0.14 -4.32 116.67 118.54 3kna s ASP 240 Ca 0.29 -0.55 0.09 0.00 -0.00 0.00 0.00 52.55 52.38 3kna s ASP 240 Cb -0.19 -0.44 -0.04 0.00 -0.00 0.00 0.00 42.92 42.25 3kna s ASP 240 CO 0.19 0.24 0.03 -0.31 -0.00 0.00 0.00 175.17 175.31 3kna s TYR 241 N -0.93 2.78 -0.23 4.23 2.02 -1.26 -1.83 117.35 122.13 3kna s TYR 241 Ca 0.14 -0.19 0.02 0.00 -0.37 0.00 0.00 57.07 56.67 3kna s TYR 241 Cb -0.10 -1.25 0.05 0.00 -0.40 0.00 0.00 41.96 40.25 3kna s TYR 241 CO 0.05 0.59 -0.13 -1.54 -1.57 0.00 0.00 175.55 172.94 3kna s SER 242 N -3.58 3.97 -1.02 2.29 1.04 -1.19 -4.71 113.70 110.51 3kna s SER 242 Ca 0.31 -1.14 -0.01 0.00 0.48 0.00 0.00 55.95 55.59 3kna s SER 242 Cb -0.07 -1.49 -0.02 0.00 0.10 0.00 0.00 66.02 64.54 3kna s SER 242 CO 0.20 -0.13 0.86 0.00 0.98 0.00 0.00 173.24 175.15 3kna n ALA 243 N 4.51 -1.88 0.03 5.32 0.00 -1.26 -4.66 120.51 122.57 3kna n ALA 243 Ca -0.16 -0.01 -0.11 0.00 0.00 0.00 0.00 53.44 53.16 3kna n ALA 243 Cb 0.45 -2.91 -0.06 0.00 0.00 0.00 0.00 19.45 16.93 3kna n ALA 243 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 3kna h PHE 244 N -1.48 -0.09 -0.38 0.00 3.57 -1.97 -2.37 116.94 114.21 3kna h PHE 244 Ca -0.52 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 60.99 3kna h PHE 244 Cb 1.29 0.05 -0.02 0.00 2.79 0.00 0.00 35.95 40.06 3kna h PHE 244 CO 0.35 -0.06 0.24 -0.44 -2.23 0.00 0.00 178.31 176.17 3kna h ASP 245 N -0.05 0.45 0.79 0.41 5.19 -1.93 -3.00 116.42 118.29 3kna h ASP 245 Ca 0.03 -0.04 -0.08 0.00 -0.62 0.00 0.00 57.03 56.32 3kna h ASP 245 Cb 0.09 -0.11 -0.01 0.00 0.18 0.00 0.00 39.33 39.48 3kna h ASP 245 CO -0.07 0.36 -0.36 0.00 -3.12 0.00 0.00 179.24 176.05 3kna h ALA 246 N 1.11 1.03 -0.55 3.45 0.00 -1.84 -2.49 119.26 119.97 3kna h ALA 246 Ca 0.14 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.72 3kna h ALA 246 Cb -0.01 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.72 3kna h ALA 246 CO -0.03 0.45 0.00 0.09 0.00 0.00 0.00 179.25 179.76 3kna n ASN 247 N -3.57 3.00 -4.60 0.00 3.02 -0.90 0.48 115.26 112.69 3kna n ASN 247 Ca -0.00 -2.03 -0.43 0.00 -0.03 0.00 0.00 54.58 52.09 3kna n ASN 247 Cb 0.49 -0.38 -0.03 0.00 -0.61 0.00 0.00 39.78 39.25 3kna n ASN 247 CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 3kna s HIS 248 N -1.30 1.86 0.45 3.10 3.76 -1.22 -4.49 115.29 117.45 3kna s HIS 248 Ca 0.37 0.63 -0.23 0.00 -0.15 0.00 0.00 55.06 55.68 3kna s HIS 248 Cb 0.20 -4.15 -0.08 0.00 1.11 0.00 0.00 32.58 29.66 3kna s HIS 248 CO 0.25 -2.86 1.12 0.00 -0.85 0.00 0.00 174.74 172.40 3kna h SER 250 N 2.09 0.79 -0.46 0.00 4.64 -1.90 -1.57 113.55 117.14 3kna h SER 250 Ca -0.49 0.04 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 3kna h SER 250 Cb 1.24 -0.12 -0.02 0.00 -0.31 0.00 0.00 62.40 63.19 3kna h SER 250 CO 0.60 0.42 0.30 0.44 -0.87 0.00 0.00 176.83 177.72 3kna h ASP 251 N 0.85 0.54 -0.43 4.97 3.32 -1.92 -1.60 116.42 122.15 3kna h ASP 251 Ca 0.46 -0.03 -0.05 0.00 0.02 0.00 0.00 57.03 57.43 3kna h ASP 251 Cb 0.56 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.96 3kna h ASP 251 CO -0.22 0.41 0.06 0.00 -1.72 0.00 0.00 179.24 177.76 3kna h ALA 252 N 1.16 0.57 -0.21 3.45 0.00 -1.68 -2.66 119.26 119.89 3kna h ALA 252 Ca 0.17 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 3kna h ALA 252 Cb -0.05 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 3kna h ALA 252 CO -0.03 0.30 0.08 0.52 0.00 0.00 0.00 179.25 180.11 3kna h MET 253 N 0.57 0.32 0.02 0.00 2.86 -1.24 -1.48 114.93 115.97 3kna h MET 253 Ca 0.13 -0.06 0.02 0.00 -2.06 0.00 0.00 59.70 57.72 3kna h MET 253 Cb 0.39 -0.05 -0.02 0.00 0.06 0.00 0.00 31.60 31.98 3kna h MET 253 CO 0.01 0.39 -0.11 -0.91 1.06 0.00 0.00 176.91 177.35 3kna h ASN 254 N 0.18 -0.31 -0.33 1.22 2.35 -1.29 -1.26 115.58 116.15 3kna h ASN 254 Ca 0.07 0.05 -0.04 0.00 -0.55 0.00 0.00 56.30 55.83 3kna h ASN 254 Cb 0.19 0.13 -0.02 0.00 0.05 0.00 0.00 38.32 38.67 3kna h ASN 254 CO -0.00 -0.16 0.09 0.40 -1.65 0.00 0.00 177.43 176.11 3kna h ILE 255 N -0.20 1.19 -0.46 2.81 2.04 -1.44 -1.20 117.51 120.24 3kna h ILE 255 Ca 0.04 -0.67 -0.08 0.00 1.00 0.00 0.00 64.86 65.15 3kna h ILE 255 Cb 0.24 0.78 -0.02 0.00 -0.74 0.00 0.00 36.82 37.08 3kna h ILE 255 CO -0.10 0.24 -0.01 -0.03 0.00 0.00 0.00 178.15 178.25 3kna h MET 256 N 0.59 0.82 -0.20 2.37 4.05 -0.90 -1.42 114.93 120.24 3kna h MET 256 Ca 0.13 -0.27 -0.11 0.00 -0.28 0.00 0.00 59.70 59.18 3kna h MET 256 Cb 0.24 -0.07 -0.01 0.00 -0.80 0.00 0.00 31.60 30.95 3kna h MET 256 CO -0.00 0.89 -0.33 0.74 0.23 0.00 0.00 176.91 178.43 3kna h PHE 257 N 0.67 0.47 -0.00 1.39 0.04 -0.87 -1.60 116.94 117.04 3kna h PHE 257 Ca 0.13 -0.12 -0.14 0.00 2.80 0.00 0.00 57.97 60.64 3kna h PHE 257 Cb 0.52 -0.11 -0.02 0.00 2.20 0.00 0.00 35.95 38.54 3kna h PHE 257 CO 0.04 0.70 -0.68 0.93 -0.60 0.00 0.00 178.31 178.70 3kna h GLU 258 N 0.36 0.02 0.03 1.51 5.08 -0.99 -2.77 114.58 117.82 3kna h GLU 258 Ca 0.04 -0.02 -0.33 0.00 -1.00 0.00 0.00 59.36 58.05 3kna h GLU 258 Cb 0.76 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.97 3kna h GLU 258 CO 0.06 0.69 -1.99 0.39 -1.00 0.00 0.00 179.01 177.16 3kna n GLU 259 N -3.74 0.68 0.05 2.33 -0.58 -0.55 -4.33 120.64 114.49 3kna n GLU 259 Ca -0.01 0.22 -0.21 0.00 -0.42 0.00 0.00 57.16 56.73 3kna n GLU 259 Cb 0.67 -1.69 -0.15 0.00 -0.57 0.00 0.00 31.44 29.70 3kna n GLU 259 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 3kna h VAL 260 N 0.02 0.86 -1.83 2.62 2.07 -1.40 -3.40 116.25 115.19 3kna h VAL 260 Ca -0.40 -2.49 -0.70 0.00 0.82 0.00 0.00 66.70 63.92 3kna h VAL 260 Cb 2.05 2.68 -0.33 0.00 -1.52 0.00 0.00 31.29 34.17 3kna h VAL 260 CO 0.06 0.86 0.38 0.49 0.02 0.00 0.00 177.57 179.37 3kna n PHE 261 N -3.53 3.15 -2.73 1.57 3.01 -1.05 -4.96 117.46 112.93 3kna n PHE 261 Ca -0.26 -2.65 -0.32 0.00 1.01 0.00 0.00 57.45 55.23 3kna n PHE 261 Cb 1.06 -0.77 -0.05 0.00 -0.01 0.00 0.00 39.48 39.72 3kna n PHE 261 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 3kna s ARG 262 N -3.88 4.01 0.34 -1.08 0.52 -1.26 -4.38 118.95 113.21 3kna s ARG 262 Ca 0.50 0.86 0.04 0.00 -0.52 0.00 0.00 55.73 56.61 3kna s ARG 262 Cb 0.42 -2.25 0.60 0.00 0.52 0.00 0.00 34.95 34.24 3kna s ARG 262 CO -0.32 -0.09 1.90 1.79 0.02 0.00 0.00 175.30 178.60 3kna h THR 263 N 1.41 1.19 0.00 0.02 1.35 -1.90 -1.72 112.91 113.26 3kna h THR 263 Ca -0.48 -0.69 0.00 0.00 -0.55 0.00 0.00 66.41 64.69 3kna h THR 263 Cb 1.18 0.80 0.00 0.00 -1.73 0.00 0.00 68.15 68.40 3kna h THR 263 CO 0.62 0.25 0.05 1.05 -0.25 0.00 0.00 175.52 177.25 3kna h GLU 264 N 0.58 0.00 -0.30 4.72 4.11 -1.93 0.44 114.58 122.20 3kna h GLU 264 Ca 0.13 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.56 3kna h GLU 264 Cb 0.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.50 3kna h GLU 264 CO -0.00 0.00 0.00 1.19 0.07 0.00 0.00 179.01 180.27 3kna n PHE 265 N -2.73 0.39 -0.34 2.06 3.72 -0.65 -4.89 117.46 115.02 3kna n PHE 265 Ca -0.02 -0.19 0.00 0.00 -0.05 0.00 0.00 57.45 57.18 3kna n PHE 265 Cb 0.11 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.65 3kna n PHE 265 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3kna n GLY 266 N 1.18 0.96 3.97 1.37 0.00 0.15 -4.47 105.19 108.35 3kna n GLY 266 Ca 0.16 -0.31 -0.22 0.00 0.00 0.00 0.00 46.02 45.65 3kna n GLY 266 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3kna s PHE 267 N -2.00 3.45 0.27 1.61 0.40 -1.11 -2.56 117.98 118.05 3kna s PHE 267 Ca 0.00 -0.00 -0.26 0.00 -0.60 0.00 0.00 56.93 56.07 3kna s PHE 267 Cb 0.00 -1.58 -0.09 0.00 0.51 0.00 0.00 43.02 41.86 3kna s PHE 267 CO 0.00 0.45 0.89 -1.58 0.70 0.00 0.00 175.22 175.68 3kna s HIS 268 N -1.95 3.78 0.45 0.36 5.65 -1.26 -4.38 115.29 117.94 3kna s HIS 268 Ca 0.34 1.75 0.23 0.00 0.25 0.00 0.00 55.06 57.63 3kna s HIS 268 Cb -0.09 -2.88 1.24 0.00 -1.18 0.00 0.00 32.58 29.67 3kna s HIS 268 CO 0.29 0.32 1.83 -1.35 -0.65 0.00 0.00 174.74 175.18 3kna h PRO 269 N 3.57 0.25 0.00 2.88 0.11 -1.97 0.17 132.00 137.00 3kna h PRO 269 Ca -0.47 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3kna h PRO 269 Cb 1.20 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.25 3kna h PRO 269 CO 0.66 0.17 0.00 0.09 -0.21 0.00 0.00 178.00 178.71 3kna n ASN 270 N -4.45 0.00 -0.16 -2.05 3.02 -1.26 -3.39 115.26 106.96 3kna n ASN 270 Ca 0.22 -0.77 -0.11 0.00 -0.03 0.00 0.00 54.58 53.89 3kna n ASN 270 Cb 0.89 -0.07 -0.00 0.00 -0.61 0.00 0.00 39.78 40.00 3kna n ASN 270 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3kna h ALA 271 N 3.81 0.67 -0.16 5.41 0.00 -0.99 -2.37 119.26 125.62 3kna h ALA 271 Ca 0.00 -0.35 -0.20 0.00 0.00 0.00 0.00 54.91 54.36 3kna h ALA 271 Cb 0.06 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.69 3kna h ALA 271 CO 0.00 0.59 -0.69 1.49 0.00 0.00 0.00 179.25 180.64 3kna h GLU 272 N 0.80 0.68 0.29 0.00 4.81 -1.73 -3.19 114.58 116.23 3kna h GLU 272 Ca 0.12 -0.51 -0.01 0.00 -0.13 0.00 0.00 59.36 58.82 3kna h GLU 272 Cb 0.70 0.09 0.00 0.00 0.63 0.00 0.00 28.75 30.17 3kna h GLU 272 CO 0.05 1.13 -0.14 2.35 -0.73 0.00 0.00 179.01 181.67 3kna h TRP 273 N 0.48 -0.36 -0.82 0.92 7.01 -1.68 -2.22 115.95 119.28 3kna h TRP 273 Ca -0.03 -0.01 0.11 0.00 2.11 0.00 0.00 58.89 61.08 3kna h TRP 273 Cb 1.29 0.12 -0.06 0.00 -2.10 0.00 0.00 29.16 28.41 3kna h TRP 273 CO 0.07 -0.10 0.53 0.97 -2.79 0.00 0.00 178.44 177.12 3kna h ILE 274 N -0.59 0.90 -0.23 2.65 6.09 -1.53 -0.36 117.51 124.44 3kna h ILE 274 Ca -0.04 -0.24 -0.15 0.00 -1.37 0.00 0.00 64.86 63.06 3kna h ILE 274 Cb 0.43 0.15 -0.01 0.00 0.47 0.00 0.00 36.82 37.86 3kna h ILE 274 CO 0.07 0.13 -0.49 -0.07 -3.07 0.00 0.00 178.15 174.71 3kna h LEU 275 N 0.69 0.69 -1.35 2.19 3.38 -1.53 -3.06 115.31 116.32 3kna h LEU 275 Ca 0.39 -0.34 0.00 0.00 0.09 0.00 0.00 57.88 58.02 3kna h LEU 275 Cb 0.56 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.11 3kna h LEU 275 CO -0.16 1.06 0.00 0.11 0.09 0.00 0.00 178.44 179.54 3kna h LYS 276 N 0.50 0.00 0.00 1.13 1.57 -0.43 -2.11 116.57 117.22 3kna h LYS 276 Ca 0.02 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 3kna h LYS 276 Cb 1.03 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.34 3kna h LYS 276 CO 0.10 0.00 0.00 1.79 -0.57 0.00 0.00 179.45 180.77 3kna h THR 277 N 0.00 0.00 0.00 -0.16 1.35 -1.34 -2.31 112.91 110.45 3kna h THR 277 Ca 0.00 -0.31 -0.03 0.00 -0.55 0.00 0.00 66.41 65.52 3kna h THR 277 Cb 0.40 1.12 -0.00 0.00 -1.73 0.00 0.00 68.15 67.94 3kna h THR 277 CO 0.00 0.00 -0.15 -0.07 -0.25 0.00 0.00 175.52 175.05 3kna h LEU 278 N 0.00 0.00 0.68 3.87 3.38 -1.54 -3.35 115.31 118.35 3kna h LEU 278 Ca 0.00 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 3kna h LEU 278 Cb 0.40 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.16 3kna h LEU 278 CO 0.00 0.15 -0.33 0.58 0.09 0.00 0.00 178.44 178.93 3kna h VAL 279 N 0.00 0.00 -3.60 1.22 2.07 -1.57 -3.40 116.25 110.96 3kna h VAL 279 Ca -0.00 -0.10 -0.70 0.00 0.82 0.00 0.00 66.70 66.72 3kna h VAL 279 Cb 1.02 0.00 -0.20 0.00 -1.52 0.00 0.00 31.29 30.59 3kna h VAL 279 CO 0.02 0.00 -0.42 0.20 0.02 0.00 0.00 177.57 177.39 3kna s ASN 280 N -3.70 6.10 0.15 0.57 0.02 -1.26 -1.41 114.94 115.42 3kna s ASN 280 Ca -0.13 -0.63 0.07 0.00 -1.02 0.00 0.00 52.86 51.15 3kna s ASN 280 Cb 0.01 -2.16 -0.04 0.00 0.02 0.00 0.00 41.25 39.08 3kna s ASN 280 CO 0.40 -0.36 -0.16 0.42 0.02 0.00 0.00 177.10 177.42 3kna s THR 281 N 1.76 1.59 -0.16 1.60 -4.23 0.04 -4.91 115.64 111.33 3kna s THR 281 Ca 0.06 -1.87 0.00 0.00 -1.18 0.00 0.00 61.69 58.71 3kna s THR 281 Cb -0.18 -1.73 -0.00 0.00 1.34 0.00 0.00 72.50 71.92 3kna s THR 281 CO 0.11 -0.40 -0.15 -0.70 -0.54 0.00 0.00 174.62 172.94 3kna s GLU 282 N -2.86 3.23 -0.12 3.99 2.12 -1.26 0.53 118.70 124.33 3kna s GLU 282 Ca 0.14 -0.74 -0.02 0.00 0.36 0.00 0.00 54.97 54.70 3kna s GLU 282 Cb -0.05 -2.64 -0.03 0.00 0.26 0.00 0.00 34.13 31.67 3kna s GLU 282 CO 0.05 0.01 -0.03 -1.01 -0.54 0.00 0.00 175.26 173.74 3kna s HIS 283 N 0.83 3.05 -0.40 5.30 3.76 0.12 0.22 115.29 128.18 3kna s HIS 283 Ca -0.05 -0.09 -0.06 0.00 -0.15 0.00 0.00 55.06 54.71 3kna s HIS 283 Cb -0.15 -1.87 0.08 0.00 1.11 0.00 0.00 32.58 31.76 3kna s HIS 283 CO -0.00 0.18 0.20 0.00 -0.85 0.00 0.00 174.74 174.27 3kna s ALA 284 N -0.21 3.17 -0.32 -1.40 0.00 0.44 -0.83 121.76 122.61 3kna s ALA 284 Ca 0.04 -2.21 0.01 0.00 0.00 0.00 0.00 51.96 49.80 3kna s ALA 284 Cb -0.13 -2.46 0.08 0.00 0.00 0.00 0.00 23.12 20.61 3kna s ALA 284 CO 0.02 -1.64 0.03 -0.47 0.00 0.00 0.00 175.76 173.70 3kna s TYR 285 N 1.31 3.49 0.00 0.00 5.04 -0.65 -2.64 117.35 123.90 3kna s TYR 285 Ca 0.03 -2.47 0.00 0.00 -2.44 0.00 0.00 57.07 52.19 3kna s TYR 285 Cb -0.22 -2.54 0.00 0.00 0.35 0.00 0.00 41.96 39.54 3kna s TYR 285 CO -0.00 -0.90 0.00 0.39 -1.34 0.00 0.00 175.55 173.69 3kna n GLU 286 N 4.44 0.00 0.00 4.97 1.02 -1.23 -1.46 120.64 128.38 3kna n GLU 286 Ca -0.06 0.00 0.11 0.00 -0.02 0.00 0.00 57.16 57.19 3kna n GLU 286 Cb 0.42 0.00 -0.03 0.00 -0.02 0.00 0.00 31.44 31.81 3kna n GLU 286 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3kna n ASN 287 N 10.28 1.64 -4.63 1.62 3.02 -1.26 -0.61 115.26 125.32 3kna n ASN 287 Ca 0.00 -1.31 -0.35 0.00 -0.03 0.00 0.00 54.58 52.89 3kna n ASN 287 Cb 0.00 0.65 -0.10 0.00 -0.61 0.00 0.00 39.78 39.72 3kna n ASN 287 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 3kna s LYS 288 N -2.66 3.97 -0.47 3.52 1.02 -0.53 -2.59 119.74 121.98 3kna s LYS 288 Ca 0.15 -0.34 -0.11 0.00 0.02 0.00 0.00 55.97 55.69 3kna s LYS 288 Cb 0.17 -3.26 0.11 0.00 -0.52 0.00 0.00 37.83 34.33 3kna s LYS 288 CO 0.68 0.22 0.36 1.03 -0.92 0.00 0.00 175.35 176.72 3kna s ARG 289 N 0.52 2.64 -0.27 1.68 1.81 -0.95 -1.64 118.95 122.74 3kna s ARG 289 Ca 0.04 -1.66 -0.11 0.00 -1.72 0.00 0.00 55.73 52.28 3kna s ARG 289 Cb -0.13 -3.98 -0.05 0.00 -0.45 0.00 0.00 34.95 30.35 3kna s ARG 289 CO 0.01 -1.16 0.20 0.42 -0.68 0.00 0.00 175.30 174.10 3kna s ILE 290 N 1.44 5.30 -0.17 1.52 1.01 -0.01 -2.26 121.20 128.04 3kna s ILE 290 Ca 0.05 0.21 -0.21 0.00 0.00 0.00 0.00 60.65 60.70 3kna s ILE 290 Cb -0.26 -3.54 -0.03 0.00 0.01 0.00 0.00 42.46 38.64 3kna s ILE 290 CO 0.01 0.25 0.61 -0.89 0.00 0.00 0.00 174.94 174.93 3kna s THR 291 N 1.69 5.05 -0.10 2.92 2.01 -0.15 0.15 115.64 127.20 3kna s THR 291 Ca 0.08 1.17 0.04 0.00 0.31 0.00 0.00 61.69 63.29 3kna s THR 291 Cb -0.16 -3.93 0.00 0.00 0.01 0.00 0.00 72.50 68.42 3kna s THR 291 CO 0.10 0.16 -0.23 -0.69 -0.69 0.00 0.00 174.62 173.27 3kna s VAL 292 N 1.58 2.10 -0.24 3.82 1.01 0.19 -1.90 120.40 126.96 3kna s VAL 292 Ca 0.29 -1.00 -0.07 0.00 0.00 0.00 0.00 61.98 61.20 3kna s VAL 292 Cb -0.16 -1.80 -0.03 0.00 0.00 0.00 0.00 36.38 34.39 3kna s VAL 292 CO 0.11 0.56 0.05 -1.61 0.00 0.00 0.00 175.10 174.21 3kna s GLU 293 N 0.37 3.64 0.00 2.72 2.02 -0.83 -0.78 118.70 125.85 3kna s GLU 293 Ca -0.18 -0.49 0.00 0.00 0.02 0.00 0.00 54.97 54.32 3kna s GLU 293 Cb -0.18 -3.26 0.00 0.00 0.10 0.00 0.00 34.13 30.79 3kna s GLU 293 CO 0.08 -0.14 0.00 0.41 0.02 0.00 0.00 175.26 175.63 3kna n GLY 294 N 4.76 1.01 0.00 -1.39 0.00 -0.50 -0.97 105.19 108.11 3kna n GLY 294 Ca -0.16 -1.89 0.00 0.00 0.00 0.00 0.00 46.02 43.96 3kna n GLY 294 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kna n GLY 295 N 1.31 -1.06 2.97 -0.02 0.00 0.05 -4.45 105.19 104.00 3kna n GLY 295 Ca 0.00 -1.64 -0.26 0.00 0.00 0.00 0.00 46.02 44.12 3kna n GLY 295 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3kna s ILE 296 N -1.86 1.14 0.53 -0.61 1.10 -0.94 -4.57 121.20 115.99 3kna s ILE 296 Ca 0.00 -0.42 -0.22 0.00 -0.51 0.00 0.00 60.65 59.51 3kna s ILE 296 Cb 0.00 -1.09 -0.07 0.00 0.15 0.00 0.00 42.46 41.45 3kna s ILE 296 CO 0.00 0.37 1.14 -2.65 -2.11 0.00 0.00 174.94 171.69 3kna n PRO 297 N 4.41 1.37 0.09 3.50 -0.02 -1.26 -4.78 135.00 138.31 3kna n PRO 297 Ca -0.18 0.51 -0.12 0.00 -2.02 0.00 0.00 63.50 61.69 3kna n PRO 297 Cb 0.51 -2.30 -0.11 0.00 -0.02 0.00 0.00 33.50 31.58 3kna n PRO 297 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 3kna h SER 298 N 1.20 0.27 -0.30 2.55 0.87 -1.91 -3.32 113.55 112.91 3kna h SER 298 Ca -0.48 -0.27 0.00 0.00 -1.23 0.00 0.00 61.79 59.81 3kna h SER 298 Cb 1.33 -0.09 0.00 0.00 -0.44 0.00 0.00 62.40 63.21 3kna h SER 298 CO 0.55 1.18 0.00 0.61 -0.53 0.00 0.00 176.83 178.64 3kna n GLY 299 N 1.33 0.76 3.76 5.77 0.00 0.37 -4.81 105.19 112.38 3kna n GLY 299 Ca -0.05 -0.34 -0.37 0.00 0.00 0.00 0.00 46.02 45.25 3kna n GLY 299 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kna h SER 301 N 1.67 0.00 -0.45 0.00 4.64 -1.91 -3.09 113.55 114.41 3kna h SER 301 Ca -0.50 0.00 -0.32 0.00 -0.47 0.00 0.00 61.79 60.50 3kna h SER 301 Cb 1.27 0.00 -0.37 0.00 -0.31 0.00 0.00 62.40 63.00 3kna h SER 301 CO 0.58 0.11 -0.93 0.00 -0.87 0.00 0.00 176.83 175.72 3kna n ALA 302 N -2.34 3.57 -0.20 5.18 0.00 -1.26 -4.87 120.51 120.58 3kna n ALA 302 Ca -0.02 -3.14 -0.05 0.00 0.00 0.00 0.00 53.44 50.22 3kna n ALA 302 Cb 0.21 -0.60 0.05 0.00 0.00 0.00 0.00 19.45 19.11 3kna n ALA 302 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kna h THR 303 N 4.02 1.10 -0.20 0.00 1.03 -1.87 -0.50 112.91 116.49 3kna h THR 303 Ca 0.05 -0.26 -0.01 0.00 -0.01 0.00 0.00 66.41 66.19 3kna h THR 303 Cb 1.42 0.29 -0.01 0.00 -1.07 0.00 0.00 68.15 68.77 3kna h THR 303 CO 0.36 0.14 0.10 0.28 -0.01 0.00 0.00 175.52 176.39 3kna h SER 304 N 0.75 0.26 -0.57 0.00 0.02 -1.89 0.05 113.55 112.16 3kna h SER 304 Ca 0.23 -0.11 -0.03 0.00 -0.84 0.00 0.00 61.79 61.03 3kna h SER 304 Cb -0.02 -0.07 -0.03 0.00 0.14 0.00 0.00 62.40 62.43 3kna h SER 304 CO -0.08 0.30 0.22 0.40 -1.14 0.00 0.00 176.83 176.53 3kna h ILE 305 N 0.20 1.23 -0.39 3.27 2.04 -1.90 0.75 117.51 122.71 3kna h ILE 305 Ca 0.07 -0.72 0.00 0.00 1.00 0.00 0.00 64.86 65.21 3kna h ILE 305 Cb 0.11 0.62 -0.02 0.00 -0.74 0.00 0.00 36.82 36.79 3kna h ILE 305 CO -0.01 0.28 0.24 0.40 0.00 0.00 0.00 178.15 179.06 3kna h ILE 306 N 0.79 1.12 -0.66 -0.67 2.04 -0.93 0.01 117.51 119.20 3kna h ILE 306 Ca 0.19 -0.25 -0.02 0.00 1.00 0.00 0.00 64.86 65.78 3kna h ILE 306 Cb 0.21 0.59 -0.03 0.00 -0.74 0.00 0.00 36.82 36.85 3kna h ILE 306 CO -0.01 0.12 0.35 0.78 0.00 0.00 0.00 178.15 179.38 3kna h ASN 307 N 0.51 0.84 -0.01 1.72 2.35 -0.71 -2.11 115.58 118.17 3kna h ASN 307 Ca 0.14 -0.11 -0.00 0.00 -0.55 0.00 0.00 56.30 55.78 3kna h ASN 307 Cb -0.02 -0.22 -0.00 0.00 0.05 0.00 0.00 38.32 38.13 3kna h ASN 307 CO -0.03 0.71 0.00 0.74 -1.65 0.00 0.00 177.43 177.21 3kna h THR 308 N 0.91 1.12 -0.27 2.81 2.02 -0.54 -0.43 112.91 118.54 3kna h THR 308 Ca 0.23 -0.35 0.06 0.00 0.77 0.00 0.00 66.41 67.12 3kna h THR 308 Cb 0.07 1.34 -0.06 0.00 -1.74 0.00 0.00 68.15 67.76 3kna h THR 308 CO -0.03 0.09 -0.10 0.40 0.37 0.00 0.00 175.52 176.24 3kna h ILE 309 N -0.13 0.65 -0.27 3.11 2.04 -0.92 -1.30 117.51 120.69 3kna h ILE 309 Ca 0.00 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.90 3kna h ILE 309 Cb 0.15 0.65 -0.04 0.00 -0.74 0.00 0.00 36.82 36.84 3kna h ILE 309 CO -0.00 0.00 0.04 -0.07 0.00 0.00 0.00 178.15 178.12 3kna h LEU 310 N -0.05 -0.01 -0.87 1.44 3.38 -1.27 -2.13 115.31 115.79 3kna h LEU 310 Ca 0.14 0.05 0.16 0.00 0.09 0.00 0.00 57.88 58.32 3kna h LEU 310 Cb 0.27 0.07 -0.10 0.00 0.09 0.00 0.00 40.66 40.98 3kna h LEU 310 CO -0.31 0.03 0.44 -1.13 0.09 0.00 0.00 178.44 177.56 3kna h ASN 311 N 0.14 0.51 -0.63 -0.43 -0.00 -0.33 0.30 115.58 115.14 3kna h ASN 311 Ca 0.12 0.10 -0.05 0.00 -0.00 0.00 0.00 56.30 56.47 3kna h ASN 311 Cb 0.13 0.02 -0.03 0.00 -0.00 0.00 0.00 38.32 38.45 3kna h ASN 311 CO -0.17 0.19 0.19 0.78 -0.00 0.00 0.00 177.43 178.42 3kna h ASN 312 N 0.60 0.93 -0.30 1.15 2.35 -0.72 -2.89 115.58 116.71 3kna h ASN 312 Ca 0.49 -0.21 -0.18 0.00 -0.55 0.00 0.00 56.30 55.84 3kna h ASN 312 Cb 0.73 -0.24 -0.00 0.00 0.05 0.00 0.00 38.32 38.86 3kna h ASN 312 CO -0.39 0.90 -0.51 0.40 -1.65 0.00 0.00 177.43 176.18 3kna h ILE 313 N 0.92 1.27 -0.17 2.81 2.04 -0.42 -2.98 117.51 120.98 3kna h ILE 313 Ca 0.20 -1.69 0.05 0.00 1.00 0.00 0.00 64.86 64.42 3kna h ILE 313 Cb 0.31 1.57 -0.05 0.00 -0.74 0.00 0.00 36.82 37.91 3kna h ILE 313 CO -0.00 0.56 -0.18 1.88 0.00 0.00 0.00 178.15 180.40 3kna h TYR 314 N 0.69 -0.47 -0.16 1.37 0.05 -0.42 0.97 116.97 118.99 3kna h TYR 314 Ca 0.03 0.03 0.03 0.00 0.05 0.00 0.00 58.73 58.87 3kna h TYR 314 Cb 1.11 0.23 -0.03 0.00 1.01 0.00 0.00 36.73 39.06 3kna h TYR 314 CO 0.07 -0.26 -0.04 0.28 -1.05 0.00 0.00 178.16 177.16 3kna h VAL 315 N -0.21 0.83 -0.85 -2.88 2.07 -1.52 0.23 116.25 113.92 3kna h VAL 315 Ca 0.11 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.65 3kna h VAL 315 Cb 0.38 0.83 -0.04 0.00 -1.52 0.00 0.00 31.29 30.93 3kna h VAL 315 CO -0.29 0.00 0.56 0.25 0.02 0.00 0.00 177.57 178.11 3kna h LEU 316 N -0.00 0.94 -0.20 2.57 5.85 -1.32 -1.53 115.31 121.61 3kna h LEU 316 Ca 0.08 -0.02 -0.05 0.00 0.84 0.00 0.00 57.88 58.73 3kna h LEU 316 Cb 0.12 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 40.92 3kna h LEU 316 CO -0.17 0.67 -0.09 0.22 -0.34 0.00 0.00 178.44 178.73 3kna h TYR 317 N 1.10 0.48 -0.68 1.25 5.03 0.01 -2.21 116.97 121.95 3kna h TYR 317 Ca 0.32 -0.12 -0.06 0.00 2.58 0.00 0.00 58.73 61.46 3kna h TYR 317 Cb -0.06 -0.11 -0.03 0.00 1.55 0.00 0.00 36.73 38.08 3kna h TYR 317 CO -0.00 0.70 0.19 0.00 -1.32 0.00 0.00 178.16 177.73 3kna h ALA 318 N 0.71 1.06 -0.22 1.82 0.00 -0.26 -1.46 119.26 120.90 3kna h ALA 318 Ca 0.05 -0.22 -0.17 0.00 0.00 0.00 0.00 54.91 54.57 3kna h ALA 318 Cb 0.57 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 3kna h ALA 318 CO 0.03 0.63 -0.54 -0.07 0.00 0.00 0.00 179.25 179.30 3kna h LEU 319 N 1.01 0.72 -0.36 0.00 3.38 -1.30 -2.99 115.31 115.78 3kna h LEU 319 Ca 0.22 -0.38 0.00 0.00 0.09 0.00 0.00 57.88 57.81 3kna h LEU 319 Cb 0.31 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.86 3kna h LEU 319 CO -0.00 1.12 0.00 0.03 0.09 0.00 0.00 178.44 179.68 3kna h ARG 320 N 0.50 0.00 0.00 1.13 3.08 -1.18 0.94 114.38 118.86 3kna h ARG 320 Ca 0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.06 3kna h ARG 320 Cb 1.10 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.15 3kna h ARG 320 CO 0.11 0.00 -0.48 -2.13 -1.07 0.00 0.00 179.97 176.40 3kna n ARG 321 N -2.56 0.05 -0.03 0.04 0.63 -0.57 -4.34 116.66 109.88 3kna n ARG 321 Ca 0.04 0.02 -0.06 0.00 -0.92 0.00 0.00 57.85 56.92 3kna n ARG 321 Cb 0.39 -1.53 -0.03 0.00 0.45 0.00 0.00 32.46 31.74 3kna n ARG 321 CO 0.00 0.00 0.00 1.58 -2.51 0.00 0.00 177.63 176.70 3kna n HIS 322 N -1.61 0.00 -3.83 -0.14 -0.00 -1.11 -5.07 115.22 103.47 3kna n HIS 322 Ca 0.05 0.00 -0.21 0.00 0.46 0.00 0.00 57.72 58.02 3kna n HIS 322 Cb 0.36 -0.25 -0.03 0.00 -0.12 0.00 0.00 29.99 29.94 3kna n HIS 322 CO 0.00 0.00 0.00 0.71 0.46 0.00 0.00 176.34 177.51 3kna s TYR 323 N -2.13 2.98 -0.03 1.57 1.51 0.31 -5.12 117.35 116.45 3kna s TYR 323 Ca -0.09 -0.25 -0.02 0.00 -1.01 0.00 0.00 57.07 55.70 3kna s TYR 323 Cb 0.03 -1.75 -0.04 0.00 -0.11 0.00 0.00 41.96 40.10 3kna s TYR 323 CO 0.14 0.23 0.11 -2.00 -1.11 0.00 0.00 175.55 172.92 3kna s GLU 324 N -3.99 3.22 -1.00 -0.62 2.56 -1.26 -4.51 118.70 113.09 3kna s GLU 324 Ca 0.40 -0.38 -0.05 0.00 0.00 0.00 0.00 54.97 54.94 3kna s GLU 324 Cb -0.07 -2.97 0.01 0.00 2.00 0.00 0.00 34.13 33.10 3kna s GLU 324 CO 0.27 0.68 0.87 0.41 -0.56 0.00 0.00 175.26 176.92 3kna n GLY 325 N 1.29 -0.19 3.69 -1.50 0.00 -1.26 -5.00 105.19 102.22 3kna n GLY 325 Ca -0.14 0.02 -0.38 0.00 0.00 0.00 0.00 46.02 45.52 3kna n GLY 325 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kna s VAL 326 N -3.26 5.22 0.20 1.61 1.01 -1.26 -5.04 120.40 118.87 3kna s VAL 326 Ca 0.30 0.71 0.00 0.00 0.00 0.00 0.00 61.98 63.00 3kna s VAL 326 Cb -0.13 -3.72 -0.00 0.00 0.00 0.00 0.00 36.38 32.52 3kna s VAL 326 CO 0.56 0.28 0.01 -0.62 0.00 0.00 0.00 175.10 175.34 3kna n GLU 327 N 4.22 1.32 0.17 2.72 -0.58 -1.26 -4.92 120.64 122.31 3kna n GLU 327 Ca -0.09 -1.51 0.13 0.00 -0.42 0.00 0.00 57.16 55.27 3kna n GLU 327 Cb 0.51 0.50 0.43 0.00 -0.57 0.00 0.00 31.44 32.31 3kna n GLU 327 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 3kna h LEU 328 N 0.00 0.00 -1.75 -4.62 3.38 -1.98 -2.93 115.31 107.41 3kna h LEU 328 Ca -0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.81 3kna h LEU 328 Cb 0.52 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.27 3kna h LEU 328 CO 0.27 0.00 0.00 -0.90 0.09 0.00 0.00 178.44 177.90 3kna n ASP 329 N -2.59 2.69 0.25 -0.43 5.75 -1.26 -4.03 116.55 116.94 3kna n ASP 329 Ca 0.03 -1.88 0.14 0.00 -0.01 0.00 0.00 54.79 53.08 3kna n ASP 329 Cb 0.38 -0.06 0.57 0.00 -1.03 0.00 0.00 41.12 40.98 3kna n ASP 329 CO 0.00 0.00 0.00 0.74 -0.11 0.00 0.00 177.20 177.83 3kna h THR 330 N 4.01 0.19 -3.73 2.12 2.02 -1.92 -3.46 112.91 112.14 3kna h THR 330 Ca 0.00 -0.76 -0.19 0.00 0.77 0.00 0.00 66.41 66.24 3kna h THR 330 Cb 0.86 1.64 -0.05 0.00 -1.74 0.00 0.00 68.15 68.86 3kna h THR 330 CO 0.00 0.07 -0.03 -0.72 0.37 0.00 0.00 175.52 175.22 3kna s TYR 331 N -3.62 0.73 0.01 3.16 1.13 -1.26 -4.57 117.35 112.93 3kna s TYR 331 Ca 0.01 -1.12 -0.06 0.00 -1.41 0.00 0.00 57.07 54.50 3kna s TYR 331 Cb 0.09 0.24 -0.00 0.00 -1.10 0.00 0.00 41.96 41.19 3kna s TYR 331 CO 0.59 -1.29 0.10 -0.08 -2.51 0.00 0.00 175.55 172.36 3kna s THR 332 N -2.80 0.10 -0.00 -3.49 -1.32 0.46 -4.95 115.64 103.64 3kna s THR 332 Ca 0.25 -0.80 -0.26 0.00 -1.21 0.00 0.00 61.69 59.67 3kna s THR 332 Cb -0.02 -0.48 0.06 0.00 -1.51 0.00 0.00 72.50 70.55 3kna s THR 332 CO 0.17 -0.44 0.58 0.00 -2.21 0.00 0.00 174.62 172.72 3kna s MET 333 N -1.61 1.02 -0.02 7.08 0.23 -1.26 -0.25 119.30 124.48 3kna s MET 333 Ca -0.13 0.01 0.06 0.00 -1.03 0.00 0.00 55.69 54.59 3kna s MET 333 Cb -0.07 0.47 -0.01 0.00 -1.53 0.00 0.00 34.83 33.69 3kna s MET 333 CO 0.00 -0.34 -0.19 -1.50 -2.03 0.00 0.00 175.02 170.96 3kna s ILE 334 N -1.75 1.54 0.01 3.16 1.10 -0.74 -4.04 121.20 120.47 3kna s ILE 334 Ca -0.09 -0.82 0.00 0.00 -0.51 0.00 0.00 60.65 59.24 3kna s ILE 334 Cb -0.01 -1.29 -0.01 0.00 0.15 0.00 0.00 42.46 41.30 3kna s ILE 334 CO 0.04 0.44 -0.02 -0.55 -2.11 0.00 0.00 174.94 172.74 3kna s SER 335 N -0.32 0.21 -0.40 4.50 0.15 -0.85 -1.60 113.70 115.38 3kna s SER 335 Ca 0.04 -0.20 0.02 0.00 0.70 0.00 0.00 55.95 56.51 3kna s SER 335 Cb -0.09 0.02 0.15 0.00 -1.71 0.00 0.00 66.02 64.40 3kna s SER 335 CO 0.00 -0.10 0.27 -0.47 1.20 0.00 0.00 173.24 174.14 3kna s TYR 336 N -0.56 1.20 0.00 3.44 5.04 -0.24 -0.87 117.35 125.37 3kna s TYR 336 Ca -0.05 -2.06 0.00 0.00 -2.44 0.00 0.00 57.07 52.52 3kna s TYR 336 Cb -0.04 -1.19 0.00 0.00 0.35 0.00 0.00 41.96 41.08 3kna s TYR 336 CO -0.00 -0.81 0.00 0.41 -1.34 0.00 0.00 175.55 173.81 3kna n GLY 337 N 3.51 2.50 0.05 8.97 0.00 -1.26 -2.59 105.19 116.37 3kna n GLY 337 Ca 0.17 -0.29 0.12 0.00 0.00 0.00 0.00 46.02 46.01 3kna n GLY 337 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3kna n ASP 338 N 9.28 0.67 -4.72 1.61 5.75 -1.26 -4.05 116.55 123.83 3kna n ASP 338 Ca 0.00 0.04 -0.42 0.00 -0.01 0.00 0.00 54.79 54.41 3kna n ASP 338 Cb 0.00 0.27 -0.03 0.00 -1.03 0.00 0.00 41.12 40.33 3kna n ASP 338 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 3kna s ASP 339 N -4.09 7.06 -0.09 -1.12 -1.08 -1.07 -4.62 116.67 111.65 3kna s ASP 339 Ca 0.06 2.09 -0.11 0.00 -0.52 0.00 0.00 52.55 54.07 3kna s ASP 339 Cb 0.14 -2.59 0.03 0.00 -1.46 0.00 0.00 42.92 39.04 3kna s ASP 339 CO 0.73 -0.46 0.30 -0.51 0.52 0.00 0.00 175.17 175.75 3kna s ILE 340 N 0.81 0.01 -0.14 4.11 1.10 -1.26 -1.08 121.20 124.76 3kna s ILE 340 Ca 0.58 -0.10 -0.02 0.00 -0.51 0.00 0.00 60.65 60.59 3kna s ILE 340 Cb -0.31 -0.46 0.04 0.00 0.15 0.00 0.00 42.46 41.88 3kna s ILE 340 CO 0.31 -0.06 0.01 -0.69 -2.11 0.00 0.00 174.94 172.40 3kna s VAL 341 N -0.14 0.51 0.16 4.00 1.01 -0.63 -3.69 120.40 121.63 3kna s VAL 341 Ca -0.03 -0.28 0.05 0.00 0.00 0.00 0.00 61.98 61.73 3kna s VAL 341 Cb -0.03 -0.84 -0.04 0.00 0.00 0.00 0.00 36.38 35.47 3kna s VAL 341 CO 0.01 0.02 0.11 -0.69 0.00 0.00 0.00 175.10 174.55 3kna s VAL 342 N 1.89 4.39 -0.03 2.92 1.01 -0.84 -1.78 120.40 127.95 3kna s VAL 342 Ca 0.02 -1.10 -0.20 0.00 0.00 0.00 0.00 61.98 60.70 3kna s VAL 342 Cb -0.15 -3.23 0.04 0.00 0.00 0.00 0.00 36.38 33.04 3kna s VAL 342 CO -0.07 -0.09 0.43 0.00 0.00 0.00 0.00 175.10 175.37 3kna s ALA 343 N -1.72 -1.09 -0.03 5.51 0.00 0.65 -0.31 121.76 124.77 3kna s ALA 343 Ca 0.30 0.67 -0.29 0.00 0.00 0.00 0.00 51.96 52.65 3kna s ALA 343 Cb -0.10 0.00 0.10 0.00 0.00 0.00 0.00 23.12 23.12 3kna s ALA 343 CO 0.23 -0.29 0.88 0.45 0.00 0.00 0.00 175.76 177.03 3kna s SER 344 N -1.19 -0.39 0.24 0.00 0.15 -0.38 -0.41 113.70 111.72 3kna s SER 344 Ca -0.12 0.13 0.22 0.00 0.70 0.00 0.00 55.95 56.89 3kna s SER 344 Cb -0.04 0.39 0.05 0.00 -1.71 0.00 0.00 66.02 64.71 3kna s SER 344 CO 0.06 -0.58 1.13 0.44 1.20 0.00 0.00 173.24 175.49 3kna h ASP 345 N 2.18 0.00 -3.85 5.45 3.32 -1.86 -0.42 116.42 121.25 3kna h ASP 345 Ca -0.22 0.00 -0.48 0.00 0.02 0.00 0.00 57.03 56.34 3kna h ASP 345 Cb 1.22 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.76 3kna h ASP 345 CO 0.32 0.02 0.38 -0.31 -1.72 0.00 0.00 179.24 177.93 3kna s TYR 346 N -3.32 3.69 -1.41 4.55 2.02 -1.26 -4.80 117.35 116.81 3kna s TYR 346 Ca 0.01 1.78 -0.14 0.00 -0.37 0.00 0.00 57.07 58.35 3kna s TYR 346 Cb 0.09 -3.04 0.01 0.00 -0.40 0.00 0.00 41.96 38.62 3kna s TYR 346 CO 0.77 0.00 2.27 -0.25 -1.57 0.00 0.00 175.55 176.77 3kna n ASP 347 N 0.84 4.19 -4.77 2.29 8.00 -1.26 -4.83 116.55 121.02 3kna n ASP 347 Ca 0.01 -2.80 -0.39 0.00 0.71 0.00 0.00 54.79 52.32 3kna n ASP 347 Cb 0.48 -1.60 0.00 0.00 -0.02 0.00 0.00 41.12 39.99 3kna n ASP 347 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3kna s LEU 348 N 1.91 4.14 -0.88 0.64 1.43 -1.26 -4.96 118.68 119.69 3kna s LEU 348 Ca 0.50 2.68 -0.14 0.00 -1.03 0.00 0.00 54.13 56.14 3kna s LEU 348 Cb 0.14 -3.97 0.22 0.00 0.03 0.00 0.00 46.19 42.60 3kna s LEU 348 CO -0.07 -0.98 0.87 -0.62 0.23 0.00 0.00 176.35 175.78 3kna s ASP 349 N -0.77 6.83 0.32 2.29 -1.08 -1.26 -4.88 116.67 118.11 3kna s ASP 349 Ca 0.60 -2.73 0.06 0.00 -0.52 0.00 0.00 52.55 49.95 3kna s ASP 349 Cb -0.38 -2.24 0.54 0.00 -1.46 0.00 0.00 42.92 39.38 3kna s ASP 349 CO 0.49 -0.60 1.78 -0.26 0.52 0.00 0.00 175.17 177.10 3kna h PHE 350 N 7.75 0.39 -0.14 -5.34 -1.00 -1.93 -2.40 116.94 114.27 3kna h PHE 350 Ca 0.13 -0.07 -0.01 0.00 2.81 0.00 0.00 57.97 60.83 3kna h PHE 350 Cb 1.01 -0.10 -0.01 0.00 3.61 0.00 0.00 35.95 40.47 3kna h PHE 350 CO 1.02 0.57 0.05 1.49 -1.61 0.00 0.00 178.31 179.83 3kna h GLU 351 N 0.32 0.19 0.00 1.51 4.57 -1.90 0.07 114.58 119.34 3kna h GLU 351 Ca 0.05 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.21 3kna h GLU 351 Cb 0.59 -0.04 0.00 0.00 -0.16 0.00 0.00 28.75 29.14 3kna h GLU 351 CO 0.04 0.17 0.00 0.00 -1.18 0.00 0.00 179.01 178.04 3kna h ALA 352 N 1.87 1.00 -0.00 2.92 0.00 -1.85 -3.17 119.26 120.02 3kna h ALA 352 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3kna h ALA 352 Cb 0.05 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.84 3kna h ALA 352 CO -0.01 0.00 -0.06 1.28 0.00 0.00 0.00 179.25 180.46 3kna n LEU 353 N -2.52 0.18 0.12 0.00 4.77 0.00 -4.27 117.00 115.29 3kna n LEU 353 Ca 0.05 0.20 -0.13 0.00 -0.03 0.00 0.00 56.01 56.10 3kna n LEU 353 Cb 0.45 -0.27 -0.06 0.00 -2.33 0.00 0.00 43.42 41.22 3kna n LEU 353 CO 0.31 0.04 0.72 0.11 -1.33 0.00 0.00 177.39 177.24 3kna h LYS 354 N 0.19 -0.39 0.00 3.23 1.57 -1.52 -1.89 116.57 117.76 3kna h LYS 354 Ca 0.00 0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.79 3kna h LYS 354 Cb 0.34 0.09 -0.00 0.00 0.08 0.00 0.00 32.23 32.74 3kna h LYS 354 CO 0.00 -0.26 -0.07 -1.00 -0.57 0.00 0.00 179.45 177.55 3kna h PRO 355 N -0.41 0.00 -0.00 3.15 0.13 -1.85 -2.32 132.00 130.70 3kna h PRO 355 Ca 0.02 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 64.94 3kna h PRO 355 Cb 0.42 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.54 3kna h PRO 355 CO -0.10 0.07 -0.90 0.45 -0.23 0.00 0.00 178.00 177.29 3kna h HIS 356 N 0.00 0.46 0.00 1.56 3.86 -1.61 -2.85 115.15 116.57 3kna h HIS 356 Ca -0.00 -0.25 -0.08 0.00 -1.16 0.00 0.00 60.37 58.88 3kna h HIS 356 Cb 0.29 -0.05 -0.01 0.00 1.06 0.00 0.00 27.41 28.69 3kna h HIS 356 CO 0.00 1.06 -0.39 0.74 0.86 0.00 0.00 177.93 180.20 3kna h PHE 357 N 0.18 0.00 0.00 2.45 -1.00 -0.90 -3.07 116.94 114.59 3kna h PHE 357 Ca -0.06 0.00 -0.09 0.00 2.81 0.00 0.00 57.97 60.63 3kna h PHE 357 Cb 1.53 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 41.08 3kna h PHE 357 CO 0.05 0.39 -0.42 0.87 -1.61 0.00 0.00 178.31 177.59 3kna h LYS 358 N 0.00 0.00 0.00 1.51 1.79 -1.22 -1.65 116.57 117.00 3kna h LYS 358 Ca -0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 3kna h LYS 358 Cb 0.94 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.59 3kna h LYS 358 CO 0.05 0.42 0.00 -1.13 -1.08 0.00 0.00 179.45 177.71 3kna n SER 359 N -3.98 0.55 -0.09 0.86 3.41 -1.10 -0.62 113.62 112.65 3kna n SER 359 Ca -0.02 0.70 0.09 0.00 -0.26 0.00 0.00 58.87 59.38 3kna n SER 359 Cb 0.45 -0.79 -0.09 0.00 -0.26 0.00 0.00 64.21 63.52 3kna n SER 359 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3kna n LEU 360 N -2.17 1.11 0.00 1.04 4.77 -0.81 -4.66 117.00 116.27 3kna n LEU 360 Ca 0.00 -0.55 0.00 0.00 -0.03 0.00 0.00 56.01 55.43 3kna n LEU 360 Cb 0.11 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.20 3kna n LEU 360 CO 0.13 0.25 0.00 0.61 -1.33 0.00 0.00 177.39 177.05 3kna n GLY 361 N 1.43 0.74 3.90 -0.72 0.00 0.21 -4.04 105.19 106.72 3kna n GLY 361 Ca 0.05 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.74 3kna n GLY 361 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3kna s GLN 362 N -0.62 3.50 -0.16 1.61 -1.52 -0.69 -4.82 119.66 116.96 3kna s GLN 362 Ca 0.00 -0.26 0.01 0.00 -1.95 0.00 0.00 55.36 53.16 3kna s GLN 362 Cb 0.00 -3.03 0.02 0.00 -0.22 0.00 0.00 33.01 29.78 3kna s GLN 362 CO 0.00 0.62 -0.17 0.99 -0.25 0.00 0.00 175.29 176.47 3kna s THR 363 N -1.43 1.82 -0.08 -0.19 2.01 -1.26 -2.82 115.64 113.68 3kna s THR 363 Ca 0.32 -0.79 -0.00 0.00 0.31 0.00 0.00 61.69 61.53 3kna s THR 363 Cb -0.13 -1.66 -0.03 0.00 0.01 0.00 0.00 72.50 70.69 3kna s THR 363 CO 0.22 0.50 -0.05 0.27 -0.69 0.00 0.00 174.62 174.87 3kna s ILE 364 N 1.34 3.86 0.00 1.82 -4.36 -1.26 -3.15 121.20 119.45 3kna s ILE 364 Ca 0.04 -0.42 -0.05 0.00 -0.26 0.00 0.00 60.65 59.97 3kna s ILE 364 Cb -0.13 -2.60 -0.00 0.00 1.25 0.00 0.00 42.46 40.98 3kna s ILE 364 CO -0.11 0.59 0.09 0.42 0.24 0.00 0.00 174.94 176.17 3kna s THR 365 N -0.71 0.08 0.30 8.37 -4.23 -0.76 -4.98 115.64 113.72 3kna s THR 365 Ca 0.11 -0.70 -0.29 0.00 -1.18 0.00 0.00 61.69 59.63 3kna s THR 365 Cb -0.11 -0.36 -0.11 0.00 1.34 0.00 0.00 72.50 73.26 3kna s THR 365 CO 0.02 -0.38 1.47 -2.16 -0.54 0.00 0.00 174.62 173.02 3kna s PRO 366 N -1.29 4.21 0.07 3.99 0.04 -1.26 -0.69 135.00 140.08 3kna s PRO 366 Ca -0.14 2.41 -0.29 0.00 0.04 0.00 0.00 61.00 63.02 3kna s PRO 366 Cb -0.08 -3.05 -0.14 0.00 0.04 0.00 0.00 34.50 31.27 3kna s PRO 366 CO 0.01 -0.46 1.45 0.00 0.04 0.00 0.00 177.00 178.04 3kna h ALA 367 N 4.30 -1.05 -2.61 8.56 0.00 -0.86 -3.41 119.26 124.20 3kna h ALA 367 Ca -0.48 -0.14 -0.53 0.00 0.00 0.00 0.00 54.91 53.76 3kna h ALA 367 Cb 1.22 0.69 0.02 0.00 0.00 0.00 0.00 17.79 19.73 3kna h ALA 367 CO 0.73 -1.09 0.65 0.16 0.00 0.00 0.00 179.25 179.70 3kna s ASP 368 N -4.02 6.92 -0.36 0.00 -4.77 -1.26 -4.93 116.67 108.24 3kna s ASP 368 Ca -0.14 2.31 0.07 0.00 -3.30 0.00 0.00 52.55 51.48 3kna s ASP 368 Cb 0.04 -2.60 0.55 0.00 -1.09 0.00 0.00 42.92 39.82 3kna s ASP 368 CO 0.49 -0.54 1.62 0.29 0.70 0.00 0.00 175.17 177.73 3kna n LYS 369 N 3.17 2.07 0.05 2.11 5.02 -1.26 -4.26 118.16 125.05 3kna n LYS 369 Ca 0.08 -3.19 -0.20 0.00 -2.02 0.00 0.00 58.31 52.98 3kna n LYS 369 Cb 0.43 -1.97 -0.14 0.00 -0.02 0.00 0.00 35.03 33.33 3kna n LYS 369 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 3kna h SER 370 N 1.10 0.47 -3.28 4.39 4.64 -1.96 -3.46 113.55 115.46 3kna h SER 370 Ca 0.38 -0.78 -0.57 0.00 -0.47 0.00 0.00 61.79 60.35 3kna h SER 370 Cb 1.98 -0.15 -0.04 0.00 -0.31 0.00 0.00 62.40 63.87 3kna h SER 370 CO 0.69 1.67 -0.01 -1.81 -0.87 0.00 0.00 176.83 176.50 3kna s ASP 371 N -7.07 7.08 -1.37 4.97 1.01 -1.26 -4.99 116.67 115.04 3kna s ASP 371 Ca -0.15 1.28 -0.09 0.00 0.71 0.00 0.00 52.55 54.30 3kna s ASP 371 Cb 0.06 -2.37 0.09 0.00 1.01 0.00 0.00 42.92 41.71 3kna s ASP 371 CO 0.83 0.23 2.25 0.29 0.21 0.00 0.00 175.17 178.98 3kna n LYS 372 N 1.92 3.81 0.00 8.23 5.02 -1.26 -4.87 118.16 131.01 3kna n LYS 372 Ca -0.09 -3.16 0.00 0.00 -2.02 0.00 0.00 58.31 53.04 3kna n LYS 372 Cb 0.51 -2.88 0.00 0.00 -0.02 0.00 0.00 35.03 32.64 3kna n LYS 372 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3kna n GLY 373 N 2.80 2.06 3.76 0.72 0.00 -1.26 -5.07 105.19 108.19 3kna n GLY 373 Ca 0.54 -2.02 -0.41 0.00 0.00 0.00 0.00 46.02 44.14 3kna n GLY 373 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3kna s PHE 374 N -1.57 3.29 0.17 1.61 0.40 -1.26 -4.88 117.98 115.75 3kna s PHE 374 Ca 0.00 1.46 0.06 0.00 -0.60 0.00 0.00 56.93 57.85 3kna s PHE 374 Cb 0.00 -3.52 -0.05 0.00 0.51 0.00 0.00 43.02 39.97 3kna s PHE 374 CO 0.00 -1.40 -0.12 0.14 0.70 0.00 0.00 175.22 174.55 3kna s VAL 375 N -0.78 1.37 0.48 -0.44 -7.23 -1.26 -4.77 120.40 107.77 3kna s VAL 375 Ca 0.50 -2.12 0.01 0.00 -1.81 0.00 0.00 61.98 58.56 3kna s VAL 375 Cb -0.36 -1.92 0.01 0.00 0.56 0.00 0.00 36.38 34.67 3kna s VAL 375 CO 0.45 -0.69 0.70 -0.76 -0.31 0.00 0.00 175.10 174.48 3kna s LEU 376 N -3.22 3.52 0.00 1.32 1.43 -1.26 -4.59 118.68 115.88 3kna s LEU 376 Ca 0.19 0.13 0.00 0.00 -1.03 0.00 0.00 54.13 53.41 3kna s LEU 376 Cb 0.01 -3.01 0.00 0.00 0.03 0.00 0.00 46.19 43.22 3kna s LEU 376 CO 0.03 -0.85 0.00 0.61 0.23 0.00 0.00 176.35 176.36 3kna n GLY 377 N -2.15 0.88 3.77 -3.19 0.00 -1.26 -5.05 105.19 98.19 3kna n GLY 377 Ca 0.04 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.67 3kna n GLY 377 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3kna s HIS 378 N -2.43 3.08 0.50 1.61 3.76 -1.26 -4.88 115.29 115.67 3kna s HIS 378 Ca 0.00 1.55 0.03 0.00 -0.15 0.00 0.00 55.06 56.49 3kna s HIS 378 Cb 0.00 -3.42 0.03 0.00 1.11 0.00 0.00 32.58 30.30 3kna s HIS 378 CO 0.00 -1.34 0.25 -1.13 -0.85 0.00 0.00 174.74 171.67 3kna n SER 379 N 0.18 2.90 0.24 1.40 3.41 -1.26 -0.75 113.62 119.74 3kna n SER 379 Ca 0.04 -2.90 0.10 0.00 -0.26 0.00 0.00 58.87 55.85 3kna n SER 379 Cb 0.46 0.10 0.62 0.00 -0.26 0.00 0.00 64.21 65.13 3kna n SER 379 CO 0.00 0.00 0.00 -0.29 -0.16 0.00 0.00 175.04 174.59 3kna h ILE 380 N 0.87 0.77 -0.09 -1.33 6.09 -1.93 -2.17 117.51 119.72 3kna h ILE 380 Ca -0.35 -0.66 0.00 0.00 -1.37 0.00 0.00 64.86 62.47 3kna h ILE 380 Cb 1.20 1.40 0.00 0.00 0.47 0.00 0.00 36.82 39.89 3kna h ILE 380 CO 0.57 0.16 0.00 0.35 -3.07 0.00 0.00 178.15 176.16 3kna n THR 381 N -3.83 0.12 -0.02 2.19 -2.24 -1.26 -3.33 114.28 105.90 3kna n THR 381 Ca -0.02 -0.14 0.03 0.00 -2.27 0.00 0.00 64.05 61.65 3kna n THR 381 Cb 0.27 0.01 -0.10 0.00 -2.10 0.00 0.00 70.33 68.40 3kna n THR 381 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3kna n ASP 382 N -0.27 1.86 -4.76 3.42 8.00 -0.82 -4.79 116.55 119.19 3kna n ASP 382 Ca 0.10 0.00 -0.23 0.00 0.71 0.00 0.00 54.79 55.37 3kna n ASP 382 Cb 0.13 1.37 0.09 0.00 -0.02 0.00 0.00 41.12 42.70 3kna n ASP 382 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 3kna s VAL 383 N -2.75 2.17 -0.02 2.53 -7.23 -1.21 -5.02 120.40 108.87 3kna s VAL 383 Ca -0.05 -0.68 0.02 0.00 -1.81 0.00 0.00 61.98 59.45 3kna s VAL 383 Cb 0.07 -2.49 0.01 0.00 0.56 0.00 0.00 36.38 34.53 3kna s VAL 383 CO 0.56 0.00 -0.06 -0.89 -0.31 0.00 0.00 175.10 174.40 3kna s THR 384 N -3.02 0.54 -0.03 5.32 2.01 -1.26 -4.26 115.64 114.94 3kna s THR 384 Ca 0.65 -0.22 -0.01 0.00 0.31 0.00 0.00 61.69 62.43 3kna s THR 384 Cb -0.06 -0.50 0.03 0.00 0.01 0.00 0.00 72.50 71.98 3kna s THR 384 CO 0.43 0.19 0.04 0.12 -0.69 0.00 0.00 174.62 174.71 3kna s PHE 385 N 0.33 0.04 -1.34 4.92 5.36 -0.19 -4.82 117.98 122.28 3kna s PHE 385 Ca -0.04 0.18 -0.08 0.00 -0.96 0.00 0.00 56.93 56.03 3kna s PHE 385 Cb -0.08 -0.33 0.01 0.00 -0.34 0.00 0.00 43.02 42.28 3kna s PHE 385 CO -0.00 -0.13 1.15 1.28 -1.46 0.00 0.00 175.22 176.07 3kna n LEU 386 N 4.61 -3.49 -2.04 6.12 4.77 -1.26 -1.69 117.00 124.02 3kna n LEU 386 Ca -0.19 -0.56 -0.18 0.00 -0.03 0.00 0.00 56.01 55.06 3kna n LEU 386 Cb 0.50 -3.04 -0.04 0.00 -2.33 0.00 0.00 43.42 38.51 3kna n LEU 386 CO 0.16 0.61 -0.20 0.29 -1.33 0.00 0.00 177.39 176.92 3kna n LYS 387 N -4.87 -1.68 -4.67 3.23 5.02 -1.26 -4.96 118.16 108.96 3kna n LYS 387 Ca -0.04 0.94 -0.23 0.00 -2.02 0.00 0.00 58.31 56.96 3kna n LYS 387 Cb 0.58 -5.45 -0.15 0.00 -0.02 0.00 0.00 35.03 29.99 3kna n LYS 387 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 3kna s ARG 388 N -4.40 1.22 0.53 1.97 0.52 -0.68 -4.42 118.95 113.70 3kna s ARG 388 Ca 0.00 -0.60 -0.02 0.00 -0.52 0.00 0.00 55.73 54.59 3kna s ARG 388 Cb 0.00 -1.20 0.01 0.00 0.52 0.00 0.00 34.95 34.28 3kna s ARG 388 CO 0.00 0.32 0.79 -1.01 0.02 0.00 0.00 175.30 175.43 3kna s HIS 389 N -0.45 3.16 -0.49 -0.53 3.76 0.72 -1.02 115.29 120.44 3kna s HIS 389 Ca 0.06 0.36 -0.11 0.00 -0.15 0.00 0.00 55.06 55.22 3kna s HIS 389 Cb -0.06 -2.59 0.12 0.00 1.11 0.00 0.00 32.58 31.15 3kna s HIS 389 CO -0.00 -0.68 0.38 -0.06 -0.85 0.00 0.00 174.74 173.53 3kna s PHE 390 N -2.79 3.39 0.12 1.40 0.08 -1.26 -2.46 117.98 116.45 3kna s PHE 390 Ca 0.52 -1.74 0.09 0.00 0.12 0.00 0.00 56.93 55.93 3kna s PHE 390 Cb -0.10 -3.55 -0.04 0.00 -0.57 0.00 0.00 43.02 38.75 3kna s PHE 390 CO 0.41 -1.00 -0.18 -1.01 -0.10 0.00 0.00 175.22 173.34 3kna s HIS 391 N 1.42 2.53 -0.04 0.36 3.76 -1.06 -4.41 115.29 117.85 3kna s HIS 391 Ca 0.05 -0.26 -0.21 0.00 -0.15 0.00 0.00 55.06 54.49 3kna s HIS 391 Cb -0.27 -1.35 -0.05 0.00 1.11 0.00 0.00 32.58 32.03 3kna s HIS 391 CO 0.00 0.38 0.60 1.41 -0.85 0.00 0.00 174.74 176.29 3kna s MET 392 N -2.13 4.36 -0.37 1.40 1.75 -1.26 -0.03 119.30 123.01 3kna s MET 392 Ca 0.18 0.73 -0.21 0.00 -1.25 0.00 0.00 55.69 55.13 3kna s MET 392 Cb -0.11 -3.39 0.01 0.00 2.84 0.00 0.00 34.83 34.18 3kna s MET 392 CO 0.10 0.24 0.68 0.34 -0.65 0.00 0.00 175.02 175.74 3kna s ASP 393 N 0.24 6.45 0.43 1.11 2.15 0.82 -4.91 116.67 122.96 3kna s ASP 393 Ca 0.32 0.14 0.15 0.00 0.43 0.00 0.00 52.55 53.60 3kna s ASP 393 Cb -0.18 -2.35 0.96 0.00 -0.30 0.00 0.00 42.92 41.05 3kna s ASP 393 CO 0.16 -0.66 1.95 1.88 -0.17 0.00 0.00 175.17 178.33 3kna h TYR 394 N 8.53 0.00 0.00 -5.34 0.99 -1.95 1.17 116.97 120.37 3kna h TYR 394 Ca -0.26 0.00 -0.07 0.00 2.00 0.00 0.00 58.73 60.41 3kna h TYR 394 Cb 1.10 0.00 -0.01 0.00 1.00 0.00 0.00 36.73 38.82 3kna h TYR 394 CO 0.76 0.24 -0.31 0.78 -0.00 0.00 0.00 178.16 179.63 3kna h GLY 395 N 0.77 0.00 0.00 3.88 0.00 -1.96 -3.36 103.07 102.39 3kna h GLY 395 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3kna h GLY 395 CO 0.03 0.00 -0.79 -1.30 0.00 0.00 0.00 176.54 174.48 3kna n THR 396 N -3.32 0.00 -0.58 4.70 -2.24 -1.05 -5.02 114.28 106.76 3kna n THR 396 Ca 0.01 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.79 3kna n THR 396 Cb 0.55 -0.53 0.00 0.00 -2.10 0.00 0.00 70.33 68.25 3kna n THR 396 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3kna n GLY 397 N 2.37 0.79 3.91 3.38 0.00 0.40 -5.04 105.19 110.99 3kna n GLY 397 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 3kna n GLY 397 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3kna s PHE 398 N -3.09 3.54 0.31 1.61 0.08 -1.24 -4.71 117.98 114.47 3kna s PHE 398 Ca 0.00 0.80 -0.26 0.00 0.12 0.00 0.00 56.93 57.59 3kna s PHE 398 Cb 0.00 -2.35 -0.10 0.00 -0.57 0.00 0.00 43.02 40.01 3kna s PHE 398 CO 0.00 -0.33 0.93 0.71 -0.10 0.00 0.00 175.22 176.43 3kna s TYR 399 N -2.77 3.72 -0.01 0.36 2.02 -1.26 -0.12 117.35 119.28 3kna s TYR 399 Ca 0.48 1.78 0.02 0.00 -0.37 0.00 0.00 57.07 58.98 3kna s TYR 399 Cb -0.10 -2.91 -0.00 0.00 -0.40 0.00 0.00 41.96 38.54 3kna s TYR 399 CO 0.45 0.25 -0.07 -1.59 -1.57 0.00 0.00 175.55 173.01 3kna s LYS 400 N -1.95 0.68 -0.23 -0.62 -2.85 0.96 -4.02 119.74 111.71 3kna s LYS 400 Ca 0.49 -0.24 -0.29 0.00 -1.00 0.00 0.00 55.97 54.92 3kna s LYS 400 Cb -0.19 -0.66 -0.01 0.00 -2.06 0.00 0.00 37.83 34.91 3kna s LYS 400 CO 0.24 0.12 1.38 -1.25 0.10 0.00 0.00 175.35 175.95 3kna s PRO 401 N 0.04 3.99 -0.20 1.78 0.04 -1.26 -2.55 135.00 136.83 3kna s PRO 401 Ca -0.00 1.51 0.00 0.00 0.04 0.00 0.00 61.00 62.55 3kna s PRO 401 Cb -0.05 -3.89 0.02 0.00 0.04 0.00 0.00 34.50 30.61 3kna s PRO 401 CO -0.00 -1.04 -0.15 0.08 0.04 0.00 0.00 177.00 175.93 3kna s VAL 402 N 4.32 2.35 0.31 -0.36 1.01 -1.03 -4.70 120.40 122.30 3kna s VAL 402 Ca 0.60 -0.94 -0.10 0.00 0.00 0.00 0.00 61.98 61.55 3kna s VAL 402 Cb -0.21 -2.06 -0.07 0.00 0.00 0.00 0.00 36.38 34.05 3kna s VAL 402 CO 0.23 0.44 0.65 -0.04 0.00 0.00 0.00 175.10 176.38 3kna s MET 403 N 1.31 3.79 0.55 2.72 -1.94 -1.26 -0.20 119.30 124.26 3kna s MET 403 Ca 0.03 0.34 -0.22 0.00 -1.71 0.00 0.00 55.69 54.14 3kna s MET 403 Cb -0.14 -2.53 -0.05 0.00 2.01 0.00 0.00 34.83 34.12 3kna s MET 403 CO -0.10 0.16 1.35 0.00 -0.01 0.00 0.00 175.02 176.42 3kna s ALA 404 N -2.07 2.81 0.43 3.03 0.00 -1.26 -4.89 121.76 119.80 3kna s ALA 404 Ca 0.49 1.32 0.16 0.00 0.00 0.00 0.00 51.96 53.93 3kna s ALA 404 Cb -0.11 -3.56 0.99 0.00 0.00 0.00 0.00 23.12 20.44 3kna s ALA 404 CO 0.25 -1.37 1.97 0.77 0.00 0.00 0.00 175.76 177.38 3kna h SER 405 N 1.45 0.00 -0.42 0.00 0.02 -1.99 -2.50 113.55 110.11 3kna h SER 405 Ca -0.51 0.00 -0.14 0.00 -0.84 0.00 0.00 61.79 60.31 3kna h SER 405 Cb 1.30 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.83 3kna h SER 405 CO 0.57 0.22 -0.27 0.11 -1.14 0.00 0.00 176.83 176.32 3kna h LYS 406 N 0.00 0.93 -0.08 3.45 1.79 -1.98 -0.70 116.57 119.98 3kna h LYS 406 Ca -0.00 -0.43 -0.00 0.00 -2.18 0.00 0.00 60.65 58.03 3kna h LYS 406 Cb 0.40 -0.01 -0.00 0.00 -1.58 0.00 0.00 32.23 31.03 3kna h LYS 406 CO 0.03 1.09 0.04 1.15 -1.08 0.00 0.00 179.45 180.68 3kna h THR 407 N 0.76 1.10 -0.83 -0.16 2.02 -1.83 0.28 112.91 114.24 3kna h THR 407 Ca 0.09 -0.28 -0.02 0.00 0.77 0.00 0.00 66.41 66.97 3kna h THR 407 Cb 0.85 1.15 -0.04 0.00 -1.74 0.00 0.00 68.15 68.37 3kna h THR 407 CO 0.07 0.08 0.46 -0.07 0.37 0.00 0.00 175.52 176.43 3kna h LEU 408 N 0.01 1.04 -0.89 2.58 3.38 -1.46 0.65 115.31 120.63 3kna h LEU 408 Ca 0.03 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.90 3kna h LEU 408 Cb 0.10 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.54 3kna h LEU 408 CO -0.00 0.84 0.57 -0.33 0.09 0.00 0.00 178.44 179.61 3kna h GLU 409 N 1.16 1.19 -0.46 1.13 5.08 -0.84 -0.63 114.58 121.21 3kna h GLU 409 Ca 0.29 -0.09 -0.09 0.00 -1.00 0.00 0.00 59.36 58.47 3kna h GLU 409 Cb 0.03 -0.26 -0.01 0.00 0.50 0.00 0.00 28.75 29.01 3kna h GLU 409 CO -0.05 0.81 -0.07 0.00 -1.00 0.00 0.00 179.01 178.70 3kna h ALA 410 N 1.31 0.63 -0.79 3.43 0.00 -0.28 -2.40 119.26 121.16 3kna h ALA 410 Ca 0.32 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 3kna h ALA 410 Cb -0.11 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.48 3kna h ALA 410 CO -0.07 0.49 0.40 0.82 0.00 0.00 0.00 179.25 180.90 3kna h ILE 411 N 0.70 1.24 -0.00 0.00 2.04 -0.43 -2.61 117.51 118.46 3kna h ILE 411 Ca 0.12 -0.65 0.00 0.00 1.00 0.00 0.00 64.86 65.33 3kna h ILE 411 Cb 0.61 0.22 0.00 0.00 -0.74 0.00 0.00 36.82 36.91 3kna h ILE 411 CO 0.04 0.28 -0.05 0.18 0.00 0.00 0.00 178.15 178.60 3kna n LEU 412 N -4.38 0.06 0.10 1.44 4.77 -0.28 -3.63 117.00 115.07 3kna n LEU 412 Ca 0.07 0.41 -0.02 0.00 -0.03 0.00 0.00 56.01 56.44 3kna n LEU 412 Cb 0.12 -0.44 -0.02 0.00 -2.33 0.00 0.00 43.42 40.75 3kna n LEU 412 CO 0.39 0.01 0.32 0.28 -1.33 0.00 0.00 177.39 177.06 3kna h SER 413 N 0.02 0.00 -4.00 -1.43 0.02 -1.02 -3.41 113.55 103.73 3kna h SER 413 Ca 0.00 0.00 -0.49 0.00 -0.84 0.00 0.00 61.79 60.46 3kna h SER 413 Cb 0.47 0.00 -0.20 0.00 0.14 0.00 0.00 62.40 62.82 3kna h SER 413 CO 0.00 0.76 -0.79 -0.36 -1.14 0.00 0.00 176.83 175.30 3kna s PHE 414 N -2.92 1.62 -0.07 3.45 0.40 -1.24 0.52 117.98 119.75 3kna s PHE 414 Ca 0.02 -0.47 -0.30 0.00 -0.60 0.00 0.00 56.93 55.57 3kna s PHE 414 Cb 0.09 -0.86 0.09 0.00 0.51 0.00 0.00 43.02 42.86 3kna s PHE 414 CO 0.78 0.21 0.79 0.00 0.70 0.00 0.00 175.22 177.70 3kna s ALA 415 N -1.69 -1.81 0.27 5.36 0.00 -0.13 -4.86 121.76 118.89 3kna s ALA 415 Ca 0.09 1.33 -0.28 0.00 0.00 0.00 0.00 51.96 53.10 3kna s ALA 415 Cb -0.07 -0.15 -0.09 0.00 0.00 0.00 0.00 23.12 22.80 3kna s ALA 415 CO 0.04 -0.39 0.93 -0.98 0.00 0.00 0.00 175.76 175.36 3kna s ARG 416 N -1.45 4.72 -0.10 0.00 3.03 -1.26 -0.90 118.95 122.99 3kna s ARG 416 Ca -0.06 1.40 -0.39 0.00 2.03 0.00 0.00 55.73 58.71 3kna s ARG 416 Cb -0.00 -3.07 -0.17 0.00 -1.03 0.00 0.00 34.95 30.68 3kna s ARG 416 CO 0.05 0.42 1.51 2.89 -1.13 0.00 0.00 175.30 179.03 3kna n ARG 417 N 1.08 1.02 -0.78 3.89 0.00 -1.23 -2.39 116.66 118.25 3kna n ARG 417 Ca -0.00 0.37 0.00 0.00 -0.00 0.00 0.00 57.85 58.22 3kna n ARG 417 Cb 0.48 -2.02 0.00 0.00 -0.00 0.00 0.00 32.46 30.93 3kna n ARG 417 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3kna n GLY 418 N 3.23 0.59 0.06 2.89 0.00 -1.26 -4.90 105.19 105.80 3kna n GLY 418 Ca 0.22 -0.21 0.02 0.00 0.00 0.00 0.00 46.02 46.06 3kna n GLY 418 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3kna n THR 419 N -2.78 0.82 0.02 2.61 -2.24 -1.01 -4.84 114.28 106.87 3kna n THR 419 Ca 0.00 -0.89 -0.11 0.00 -2.27 0.00 0.00 64.05 60.78 3kna n THR 419 Cb 0.00 0.49 -0.05 0.00 -2.10 0.00 0.00 70.33 68.67 3kna n THR 419 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 3kna h ILE 420 N 1.36 0.81 -0.73 2.28 5.03 -1.91 -1.81 117.51 122.55 3kna h ILE 420 Ca 0.00 0.00 -0.00 0.00 -0.12 0.00 0.00 64.86 64.74 3kna h ILE 420 Cb 0.79 0.81 -0.04 0.00 -3.03 0.00 0.00 36.82 35.36 3kna h ILE 420 CO 0.00 0.00 0.45 -0.61 -0.68 0.00 0.00 178.15 177.31 3kna h GLN 421 N -0.09 0.98 0.00 2.37 5.75 -1.98 -0.69 115.11 121.45 3kna h GLN 421 Ca 0.05 -0.08 -0.04 0.00 -0.15 0.00 0.00 58.65 58.43 3kna h GLN 421 Cb 0.16 -0.21 -0.01 0.00 1.07 0.00 0.00 27.48 28.49 3kna h GLN 421 CO -0.11 0.69 -0.18 1.49 -2.65 0.00 0.00 178.83 178.07 3kna h GLU 422 N 0.99 0.00 0.20 1.69 4.81 -1.88 -3.08 114.58 117.31 3kna h GLU 422 Ca 0.26 0.00 -0.27 0.00 -0.13 0.00 0.00 59.36 59.22 3kna h GLU 422 Cb -0.05 0.00 0.03 0.00 0.63 0.00 0.00 28.75 29.36 3kna h GLU 422 CO -0.05 0.18 -1.22 -0.22 -0.73 0.00 0.00 179.01 176.97 3kna h LYS 423 N 0.00 0.43 -0.37 1.92 3.64 -0.70 -3.22 116.57 118.27 3kna h LYS 423 Ca -0.00 -0.73 0.07 0.00 -1.27 0.00 0.00 60.65 58.72 3kna h LYS 423 Cb 0.77 0.27 -0.07 0.00 -0.41 0.00 0.00 32.23 32.79 3kna h LYS 423 CO 0.02 1.35 -0.08 -0.07 -2.27 0.00 0.00 179.45 178.41 3kna h LEU 424 N -0.09 -0.31 -1.37 5.20 3.38 -1.06 0.18 115.31 121.25 3kna h LEU 424 Ca -0.22 0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.86 3kna h LEU 424 Cb 1.94 0.22 -0.03 0.00 0.09 0.00 0.00 40.66 42.87 3kna h LEU 424 CO 0.21 -0.11 0.40 0.40 0.09 0.00 0.00 178.44 179.43 3kna h ILE 425 N 0.02 1.17 -0.35 1.22 2.04 -1.68 0.05 117.51 119.97 3kna h ILE 425 Ca 0.18 -0.32 -0.11 0.00 1.00 0.00 0.00 64.86 65.60 3kna h ILE 425 Cb 0.27 0.27 -0.01 0.00 -0.74 0.00 0.00 36.82 36.61 3kna h ILE 425 CO -0.37 0.16 -0.23 -1.28 0.00 0.00 0.00 178.15 176.44 3kna h SER 426 N 0.84 0.81 0.60 1.72 0.87 -1.13 -3.08 113.55 114.19 3kna h SER 426 Ca 0.23 -0.43 -0.11 0.00 -1.23 0.00 0.00 61.79 60.24 3kna h SER 426 Cb -0.07 -0.22 -0.02 0.00 -0.44 0.00 0.00 62.40 61.64 3kna h SER 426 CO -0.05 1.06 -0.54 0.58 -0.53 0.00 0.00 176.83 177.35 3kna h VAL 427 N 0.56 1.34 -0.17 2.23 2.07 -0.23 -2.76 116.25 119.29 3kna h VAL 427 Ca 0.07 -1.89 0.03 0.00 0.82 0.00 0.00 66.70 65.73 3kna h VAL 427 Cb 0.78 2.03 -0.01 0.00 -1.52 0.00 0.00 31.29 32.58 3kna h VAL 427 CO 0.06 0.53 0.12 0.00 0.02 0.00 0.00 177.57 178.30 3kna h ALA 428 N 1.46 2.02 0.00 1.67 0.00 -0.91 0.86 119.26 124.36 3kna h ALA 428 Ca -0.01 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 3kna h ALA 428 Cb 0.99 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 3kna h ALA 428 CO 0.07 -0.05 -0.28 0.78 0.00 0.00 0.00 179.25 179.77 3kna h GLY 429 N 0.11 0.00 0.81 0.00 0.00 -1.48 -2.02 103.07 100.49 3kna h GLY 429 Ca 0.07 0.00 -0.34 0.00 0.00 0.00 0.00 47.33 47.06 3kna h GLY 429 CO -0.01 0.00 -1.72 1.41 0.00 0.00 0.00 176.54 176.22 3kna h LEU 430 N 0.00 0.55 -0.66 3.11 3.38 -1.03 -3.39 115.31 117.28 3kna h LEU 430 Ca -0.00 -0.93 -0.14 0.00 0.09 0.00 0.00 57.88 56.90 3kna h LEU 430 Cb 0.54 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 3kna h LEU 430 CO 0.04 1.77 -0.62 0.00 0.09 0.00 0.00 178.44 179.72 3kna h ALA 431 N 0.08 0.86 -0.88 1.53 0.00 -0.85 -3.27 119.26 116.72 3kna h ALA 431 Ca -0.35 -0.56 0.25 0.00 0.00 0.00 0.00 54.91 54.26 3kna h ALA 431 Cb 2.03 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 19.70 3kna h ALA 431 CO 0.15 0.75 0.75 -0.24 0.00 0.00 0.00 179.25 180.65 3kna h VAL 432 N 0.14 0.34 -0.00 0.00 3.04 -1.56 0.35 116.25 118.56 3kna h VAL 432 Ca -0.01 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.68 3kna h VAL 432 Cb 1.12 0.44 0.00 0.00 -2.01 0.00 0.00 31.29 30.84 3kna h VAL 432 CO 0.09 0.00 -0.00 1.41 -1.01 0.00 0.00 177.57 178.06 3kna n HIS 433 N -3.88 0.00 1.42 3.17 8.25 -1.24 -3.22 115.22 119.72 3kna n HIS 433 Ca 0.18 0.00 0.13 0.00 -0.26 0.00 0.00 57.72 57.78 3kna n HIS 433 Cb 1.05 -0.01 0.47 0.00 1.12 0.00 0.00 29.99 32.62 3kna n HIS 433 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 3kna n SER 434 N -0.76 1.66 0.00 0.41 7.64 0.12 -4.78 113.62 117.91 3kna n SER 434 Ca 0.22 -1.57 0.00 0.00 1.01 0.00 0.00 58.87 58.54 3kna n SER 434 Cb 0.17 -0.01 0.00 0.00 -1.01 0.00 0.00 64.21 63.36 3kna n SER 434 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3kna n GLY 435 N 1.19 1.42 0.22 0.23 0.00 -1.20 -4.28 105.19 102.77 3kna n GLY 435 Ca 0.18 -1.84 -0.06 0.00 0.00 0.00 0.00 46.02 44.29 3kna n GLY 435 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3kna h PRO 436 N 0.00 0.68 -0.20 1.61 0.11 -1.95 -0.50 132.00 131.75 3kna h PRO 436 Ca 0.00 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 66.05 3kna h PRO 436 Cb 0.00 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 30.95 3kna h PRO 436 CO 0.00 0.45 0.07 -0.44 -0.21 0.00 0.00 178.00 177.86 3kna h ASP 437 N 0.70 0.29 -0.33 -2.05 3.32 -2.00 -1.24 116.42 115.12 3kna h ASP 437 Ca 0.20 -0.20 -0.11 0.00 0.02 0.00 0.00 57.03 56.94 3kna h ASP 437 Cb -0.06 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.41 3kna h ASP 437 CO -0.05 0.41 -0.22 -0.08 -1.72 0.00 0.00 179.24 177.57 3kna h GLU 438 N 0.15 0.72 -0.72 3.56 4.57 -1.72 -2.27 114.58 118.87 3kna h GLU 438 Ca 0.06 -0.34 0.07 0.00 -1.18 0.00 0.00 59.36 57.97 3kna h GLU 438 Cb 0.22 -0.01 -0.06 0.00 -0.16 0.00 0.00 28.75 28.74 3kna h GLU 438 CO -0.00 0.96 0.40 -0.92 -1.18 0.00 0.00 179.01 178.26 3kna h TYR 439 N 0.49 0.73 -0.54 0.92 3.20 -1.04 -1.82 116.97 118.91 3kna h TYR 439 Ca 0.06 0.03 -0.07 0.00 3.14 0.00 0.00 58.73 61.89 3kna h TYR 439 Cb 0.77 -0.22 -0.02 0.00 1.54 0.00 0.00 36.73 38.80 3kna h TYR 439 CO 0.06 0.33 0.07 -0.09 -1.64 0.00 0.00 178.16 176.89 3kna h ARG 440 N 0.71 0.91 -0.47 1.82 2.43 -1.07 -3.10 114.38 115.61 3kna h ARG 440 Ca 0.33 -0.26 -0.12 0.00 -0.81 0.00 0.00 59.98 59.12 3kna h ARG 440 Cb 0.26 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.69 3kna h ARG 440 CO -0.21 0.90 -0.19 -0.09 -1.51 0.00 0.00 179.97 178.86 3kna h ARG 441 N 0.80 0.95 -0.26 0.20 2.43 -0.99 -2.71 114.38 114.81 3kna h ARG 441 Ca 0.16 -0.38 -0.09 0.00 -0.81 0.00 0.00 59.98 58.86 3kna h ARG 441 Cb 0.44 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.94 3kna h ARG 441 CO 0.02 1.05 -0.22 -0.07 -1.51 0.00 0.00 179.97 179.23 3kna h LEU 442 N 0.82 0.47 -2.48 3.80 3.38 -1.31 -2.97 115.31 117.03 3kna h LEU 442 Ca 0.11 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.93 3kna h LEU 442 Cb 0.75 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.37 3kna h LEU 442 CO 0.06 0.70 0.00 0.49 0.09 0.00 0.00 178.44 179.78 3kna n PHE 443 N -4.14 0.67 -0.06 1.13 3.01 -1.18 -4.47 117.46 112.43 3kna n PHE 443 Ca -0.00 -0.34 -0.07 0.00 1.01 0.00 0.00 57.45 58.05 3kna n PHE 443 Cb 0.38 0.00 -0.01 0.00 -0.01 0.00 0.00 39.48 39.84 3kna n PHE 443 CO 0.00 0.00 0.00 1.49 1.01 0.00 0.00 176.76 179.26 3kna h GLU 444 N 4.47 -0.10 0.00 -1.08 4.57 -1.31 -1.98 114.58 119.15 3kna h GLU 444 Ca 0.00 0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.19 3kna h GLU 444 Cb 1.00 0.02 0.00 0.00 -0.16 0.00 0.00 28.75 29.61 3kna h GLU 444 CO 0.00 -0.07 0.04 -1.35 -1.18 0.00 0.00 179.01 176.46 3kna h PRO 445 N -0.10 0.00 -0.01 0.92 0.11 -1.80 -1.87 132.00 129.25 3kna h PRO 445 Ca 0.13 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.24 3kna h PRO 445 Cb 0.30 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.41 3kna h PRO 445 CO -0.32 0.00 -0.75 1.19 -0.21 0.00 0.00 178.00 177.91 3kna n PHE 446 N -3.04 0.00 -1.73 0.65 3.01 -0.77 -4.78 117.46 110.81 3kna n PHE 446 Ca -0.03 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 58.01 3kna n PHE 446 Cb 0.11 0.00 -0.02 0.00 -0.01 0.00 0.00 39.48 39.56 3kna n PHE 446 CO 0.00 0.00 0.00 1.04 1.01 0.00 0.00 176.76 178.81 3kna n GLN 447 N -0.86 2.72 0.00 -1.08 1.13 -0.71 -1.75 117.38 116.84 3kna n GLN 447 Ca 0.06 0.97 0.00 0.00 -1.94 0.00 0.00 57.00 56.09 3kna n GLN 447 Cb 0.38 -2.78 0.00 0.00 0.11 0.00 0.00 30.24 27.94 3kna n GLN 447 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3kna n GLY 448 N 2.96 2.97 0.14 1.08 0.00 -1.26 -4.75 105.19 106.32 3kna n GLY 448 Ca 0.12 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.94 3kna n GLY 448 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3kna n LEU 449 N 0.00 2.65 -4.17 0.99 4.77 -0.71 -5.00 117.00 115.52 3kna n LEU 449 Ca 0.00 0.13 -0.11 0.00 -0.03 0.00 0.00 56.01 56.01 3kna n LEU 449 Cb 0.00 -1.02 -0.10 0.00 -2.33 0.00 0.00 43.42 39.97 3kna n LEU 449 CO 0.00 0.86 -0.36 -0.36 -1.33 0.00 0.00 177.39 176.20 3kna s PHE 450 N -2.55 0.91 -0.20 -1.77 0.08 -0.74 -5.12 117.98 108.60 3kna s PHE 450 Ca -0.25 -0.99 -0.29 0.00 0.12 0.00 0.00 56.93 55.52 3kna s PHE 450 Cb 0.07 -0.53 -0.01 0.00 -0.57 0.00 0.00 43.02 41.98 3kna s PHE 450 CO 0.73 -0.23 1.27 -2.00 -0.10 0.00 0.00 175.22 174.90 3kna s GLU 451 N -3.89 4.16 -0.19 0.44 2.12 -1.26 -4.71 118.70 115.37 3kna s GLU 451 Ca 0.15 1.57 -0.03 0.00 0.36 0.00 0.00 54.97 57.02 3kna s GLU 451 Cb 0.06 -3.79 -0.01 0.00 0.26 0.00 0.00 34.13 30.65 3kna s GLU 451 CO -0.03 -0.80 -0.06 0.42 -0.54 0.00 0.00 175.26 174.25 3kna s ILE 452 N 3.71 3.38 0.44 -3.70 1.09 -1.26 -4.75 121.20 120.11 3kna s ILE 452 Ca 0.55 -0.51 -0.25 0.00 -1.10 0.00 0.00 60.65 59.34 3kna s ILE 452 Cb -0.21 -2.51 -0.08 0.00 -1.06 0.00 0.00 42.46 38.61 3kna s ILE 452 CO 0.16 0.45 1.40 -2.84 -0.10 0.00 0.00 174.94 174.01 3kna s PRO 453 N 1.08 3.72 0.28 2.79 0.02 -1.26 -4.96 135.00 136.68 3kna s PRO 453 Ca 0.01 2.35 -0.29 0.00 0.02 0.00 0.00 61.00 63.08 3kna s PRO 453 Cb -0.15 -2.66 -0.10 0.00 0.02 0.00 0.00 34.50 31.62 3kna s PRO 453 CO -0.01 -0.76 1.20 -1.54 -0.33 0.00 0.00 177.00 175.56 3kna s SER 454 N -0.58 7.05 0.30 2.53 1.04 -1.26 -4.92 113.70 117.86 3kna s SER 454 Ca 0.61 2.42 0.05 0.00 0.48 0.00 0.00 55.95 59.50 3kna s SER 454 Cb -0.42 -2.63 0.72 0.00 0.10 0.00 0.00 66.02 63.79 3kna s SER 454 CO 0.54 -0.33 1.75 0.22 0.98 0.00 0.00 173.24 176.41 3kna h TYR 455 N 3.92 0.94 -0.19 5.02 3.20 -1.98 -1.73 116.97 126.16 3kna h TYR 455 Ca -0.47 0.04 0.03 0.00 3.14 0.00 0.00 58.73 61.47 3kna h TYR 455 Cb 1.22 -0.27 -0.03 0.00 1.54 0.00 0.00 36.73 39.19 3kna h TYR 455 CO 0.58 0.15 -0.01 -0.09 -1.64 0.00 0.00 178.16 177.16 3kna h ARG 456 N 0.65 0.05 -0.59 1.82 9.65 -1.99 -0.42 114.38 123.55 3kna h ARG 456 Ca 0.57 -0.00 -0.03 0.00 -1.10 0.00 0.00 59.98 59.41 3kna h ARG 456 Cb 0.94 -0.01 -0.03 0.00 -1.39 0.00 0.00 29.97 29.48 3kna h ARG 456 CO -0.42 0.03 0.24 0.66 2.80 0.00 0.00 179.97 183.29 3kna h SER 457 N 0.05 0.81 0.86 -3.80 4.64 -1.71 -0.88 113.55 113.52 3kna h SER 457 Ca 0.09 -0.17 -0.10 0.00 -0.47 0.00 0.00 61.79 61.15 3kna h SER 457 Cb 0.11 -0.21 -0.01 0.00 -0.31 0.00 0.00 62.40 61.98 3kna h SER 457 CO -0.16 0.75 -0.45 -0.07 -0.87 0.00 0.00 176.83 176.03 3kna h LEU 458 N 0.81 0.00 -0.15 5.97 3.38 -1.30 -1.12 115.31 122.91 3kna h LEU 458 Ca 0.20 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 58.02 3kna h LEU 458 Cb 0.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.95 3kna h LEU 458 CO -0.02 0.45 -0.48 0.22 0.09 0.00 0.00 178.44 178.70 3kna h TYR 459 N 0.00 0.79 -0.52 1.13 3.20 -0.72 -2.33 116.97 118.52 3kna h TYR 459 Ca -0.00 -0.32 -0.08 0.00 3.14 0.00 0.00 58.73 61.47 3kna h TYR 459 Cb 1.00 -0.13 -0.02 0.00 1.54 0.00 0.00 36.73 39.12 3kna h TYR 459 CO 0.00 1.09 0.01 -0.07 -1.64 0.00 0.00 178.16 177.55 3kna h LEU 460 N 0.25 0.83 -0.90 2.82 3.38 -1.04 -1.83 115.31 118.83 3kna h LEU 460 Ca -0.02 -0.21 -0.04 0.00 0.09 0.00 0.00 57.88 57.71 3kna h LEU 460 Cb 1.11 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 41.60 3kna h LEU 460 CO 0.10 0.89 0.34 -0.09 0.09 0.00 0.00 178.44 179.78 3kna h ARG 461 N 0.80 1.14 -0.11 1.13 2.43 -1.20 -3.02 114.38 115.55 3kna h ARG 461 Ca 0.15 -0.18 -0.02 0.00 -0.81 0.00 0.00 59.98 59.12 3kna h ARG 461 Cb 0.47 -0.20 -0.00 0.00 -0.42 0.00 0.00 29.97 29.82 3kna h ARG 461 CO 0.02 0.90 -0.03 2.35 -1.51 0.00 0.00 179.97 181.71 3kna h TRP 462 N 1.12 0.24 -0.76 2.20 7.01 -1.03 -2.41 115.95 122.31 3kna h TRP 462 Ca 0.27 -0.05 0.12 0.00 2.11 0.00 0.00 58.89 61.33 3kna h TRP 462 Cb 0.16 -0.06 -0.08 0.00 -2.10 0.00 0.00 29.16 27.08 3kna h TRP 462 CO 0.02 0.51 0.37 0.28 -2.79 0.00 0.00 178.44 176.83 3kna h VAL 463 N -0.11 0.78 -0.15 2.65 2.07 -1.28 -0.43 116.25 119.78 3kna h VAL 463 Ca 0.03 -0.20 -0.14 0.00 0.82 0.00 0.00 66.70 67.21 3kna h VAL 463 Cb 0.44 0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 30.34 3kna h VAL 463 CO 0.01 0.11 -0.50 -1.13 0.02 0.00 0.00 177.57 176.08 3kna h ASN 464 N 0.58 0.42 -0.46 0.57 -1.24 -1.53 -2.00 115.58 111.92 3kna h ASN 464 Ca 0.40 -0.21 -0.09 0.00 0.71 0.00 0.00 56.30 57.11 3kna h ASN 464 Cb 0.50 -0.12 -0.01 0.00 0.73 0.00 0.00 38.32 39.41 3kna h ASN 464 CO -0.32 0.85 -0.08 0.00 -1.29 0.00 0.00 177.43 176.59 3kna h ALA 465 N 1.16 0.63 0.07 1.57 0.00 -0.61 -2.86 119.26 119.22 3kna h ALA 465 Ca 0.01 -0.32 -0.25 0.00 0.00 0.00 0.00 54.91 54.36 3kna h ALA 465 Cb 0.98 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 3kna h ALA 465 CO 0.08 0.49 -1.15 -0.24 0.00 0.00 0.00 179.25 178.44 3kna h VAL 466 N 0.70 1.58 -0.91 0.00 3.04 -1.18 -3.45 116.25 116.04 3kna h VAL 466 Ca 0.12 -3.21 0.04 0.00 -1.01 0.00 0.00 66.70 62.64 3kna h VAL 466 Cb 0.61 2.90 -0.21 0.00 -2.01 0.00 0.00 31.29 32.59 3kna h VAL 466 CO 0.04 0.93 -0.34 0.00 -1.01 0.00 0.00 177.57 177.18 3kna h GLY 468 N 7.78 1.01 0.67 0.00 0.00 -1.69 -2.71 103.07 108.14 3kna h GLY 468 Ca -0.01 -0.44 0.07 0.00 0.00 0.00 0.00 47.33 46.94 3kna h GLY 468 CO 0.12 0.43 0.47 -0.55 0.00 0.00 0.00 176.54 177.00 3kna h ASP 469 N 0.94 0.72 -0.95 0.19 3.45 -1.92 0.15 116.42 119.00 3kna h ASP 469 Ca 0.24 0.03 0.01 0.00 0.43 0.00 0.00 57.03 57.74 3kna h ASP 469 Cb 0.01 -0.12 -0.05 0.00 -0.56 0.00 0.00 39.33 38.61 3kna h ASP 469 CO -0.04 0.45 0.63 0.00 -1.57 0.00 0.00 179.24 178.71 3kna h ALA 470 N 1.40 1.22 0.00 3.45 0.00 -1.83 0.48 119.26 123.97 3kna h ALA 470 Ca 0.36 -0.06 -0.11 0.00 0.00 0.00 0.00 54.91 55.10 3kna h ALA 470 Cb 0.21 -0.38 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 3kna h ALA 470 CO -0.19 0.59 -0.51 0.00 0.00 0.00 0.00 179.25 179.15 3kna h ALA 471 N 1.36 1.01 0.01 0.00 0.00 -1.03 -1.97 119.26 118.63 3kna h ALA 471 Ca 0.35 -0.46 -0.12 0.00 0.00 0.00 0.00 54.91 54.69 3kna h ALA 471 Cb -0.13 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 17.59 3kna h ALA 471 CO -0.08 0.63 -0.46 0.00 0.00 0.00 0.00 179.25 179.34 3kna h ALA 472 N 1.49 0.05 0.00 0.00 0.00 0.37 -3.23 119.26 117.93 3kna h ALA 472 Ca -0.01 -0.53 -0.02 0.00 0.00 0.00 0.00 54.91 54.35 3kna h ALA 472 Cb 0.99 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.81 3kna h ALA 472 CO 0.07 0.24 -0.11 -0.07 0.00 0.00 0.00 179.25 179.38 3kna h LEU 473 N -0.30 0.00 0.00 0.00 3.38 -0.08 -2.27 115.31 116.05 3kna h LEU 473 Ca -0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.91 3kna h LEU 473 Cb 1.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.95 3kna h LEU 473 CO 0.09 0.11 0.00 -0.62 0.09 0.00 0.00 178.44 178.11 3kna n GLU 474 N -3.40 0.11 -0.38 1.13 -0.58 -0.75 -1.06 120.64 115.72 3kna n GLU 474 Ca -0.01 0.18 0.07 0.00 -0.42 0.00 0.00 57.16 56.99 3kna n GLU 474 Cb 0.28 -1.50 0.21 0.00 -0.57 0.00 0.00 31.44 29.86 3kna n GLU 474 CO 0.00 0.00 0.00 0.72 -0.48 0.00 0.00 177.13 177.37 3kna n HIS 475 N -1.23 0.60 0.00 -0.32 8.25 -0.85 -5.10 115.22 116.58 3kna n HIS 475 Ca 0.03 -1.05 0.00 0.00 -0.26 0.00 0.00 57.72 56.44 3kna n HIS 475 Cb 0.04 -0.28 0.00 0.00 1.12 0.00 0.00 29.99 30.87 3kna n HIS 475 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70