#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k40 s GLU 2 N 0.00 2.60 0.20 2.12 0.41 -1.26 -4.92 118.70 117.85 3k40 s GLU 2 Ca 0.00 -1.22 -0.11 0.00 -0.41 0.00 0.00 54.97 53.23 3k40 s GLU 2 Cb 0.00 -2.66 0.18 0.00 -1.78 0.00 0.00 34.13 29.87 3k40 s GLU 2 CO 0.00 -0.54 1.81 0.00 -0.49 0.00 0.00 175.26 176.03 3k40 h ALA 3 N 0.37 0.79 -0.72 5.21 0.00 -2.05 -0.93 119.26 121.92 3k40 h ALA 3 Ca -0.38 0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.55 3k40 h ALA 3 Cb 1.28 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.91 3k40 h ALA 3 CO 0.45 0.02 0.47 -1.35 0.00 0.00 0.00 179.25 178.84 3k40 h PRO 4 N 0.64 0.92 -0.43 0.00 0.11 -2.00 0.21 132.00 131.45 3k40 h PRO 4 Ca 0.26 -0.06 -0.07 0.00 0.11 0.00 0.00 66.00 66.24 3k40 h PRO 4 Cb 0.12 -0.21 -0.02 0.00 0.11 0.00 0.00 31.00 31.01 3k40 h PRO 4 CO -0.15 0.61 0.00 1.49 -0.21 0.00 0.00 178.00 179.74 3k40 h GLU 5 N 0.95 0.77 -0.46 1.05 4.81 -1.90 -2.36 114.58 117.43 3k40 h GLU 5 Ca 0.27 -0.24 0.07 0.00 -0.13 0.00 0.00 59.36 59.32 3k40 h GLU 5 Cb -0.07 -0.07 -0.06 0.00 0.63 0.00 0.00 28.75 29.18 3k40 h GLU 5 CO -0.07 0.84 0.14 0.35 -0.73 0.00 0.00 179.01 179.53 3k40 h PHE 6 N 0.61 0.24 -0.52 0.92 3.57 -0.67 -1.22 116.94 119.87 3k40 h PHE 6 Ca 0.12 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.66 3k40 h PHE 6 Cb 0.49 -0.04 -0.03 0.00 2.79 0.00 0.00 35.95 39.16 3k40 h PHE 6 CO 0.04 0.07 0.34 0.87 -2.23 0.00 0.00 178.31 177.39 3k40 h LYS 7 N 0.30 0.67 -0.37 1.11 1.57 -0.37 0.33 116.57 119.80 3k40 h LYS 7 Ca 0.22 -0.04 0.03 0.00 -1.87 0.00 0.00 60.65 58.99 3k40 h LYS 7 Cb 0.24 -0.15 -0.03 0.00 0.08 0.00 0.00 32.23 32.37 3k40 h LYS 7 CO -0.25 0.44 0.19 -0.44 -0.57 0.00 0.00 179.45 178.82 3k40 h ASP 8 N 0.69 0.28 0.12 0.86 3.32 -1.19 -0.68 116.42 119.82 3k40 h ASP 8 Ca 0.20 0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.26 3k40 h ASP 8 Cb -0.06 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.46 3k40 h ASP 8 CO -0.05 0.20 -0.06 0.15 -1.72 0.00 0.00 179.24 177.76 3k40 h PHE 9 N 0.38 -0.15 -0.77 4.55 3.57 -0.88 -1.76 116.94 121.89 3k40 h PHE 9 Ca 0.15 -0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.60 3k40 h PHE 9 Cb 0.06 0.05 -0.03 0.00 2.79 0.00 0.00 35.95 38.81 3k40 h PHE 9 CO -0.10 0.15 0.29 0.00 -2.23 0.00 0.00 178.31 176.43 3k40 h ALA 10 N 0.38 1.08 -0.11 2.41 0.00 -0.27 0.25 119.26 122.99 3k40 h ALA 10 Ca -0.02 -0.20 -0.16 0.00 0.00 0.00 0.00 54.91 54.54 3k40 h ALA 10 Cb 0.37 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 3k40 h ALA 10 CO 0.03 0.65 -0.60 0.87 0.00 0.00 0.00 179.25 180.20 3k40 h LYS 11 N 1.12 0.38 -0.76 0.00 1.57 -1.08 -0.11 116.57 117.68 3k40 h LYS 11 Ca 0.25 -0.26 -0.04 0.00 -1.87 0.00 0.00 60.65 58.74 3k40 h LYS 11 Cb 0.23 0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.54 3k40 h LYS 11 CO -0.02 0.86 0.32 1.15 -0.57 0.00 0.00 179.45 181.20 3k40 h THR 12 N 0.28 1.25 -0.23 -0.16 2.02 -0.88 -2.32 112.91 112.87 3k40 h THR 12 Ca -0.00 -0.75 -0.09 0.00 0.77 0.00 0.00 66.41 66.33 3k40 h THR 12 Cb 1.12 0.32 -0.01 0.00 -1.74 0.00 0.00 68.15 67.84 3k40 h THR 12 CO 0.10 0.31 -0.25 -0.03 0.37 0.00 0.00 175.52 176.02 3k40 h MET 13 N 1.09 0.44 -0.22 6.66 1.85 -0.23 -0.92 114.93 123.61 3k40 h MET 13 Ca 0.26 -0.16 0.00 0.00 -0.61 0.00 0.00 59.70 59.18 3k40 h MET 13 Cb 0.17 -0.03 -0.01 0.00 0.43 0.00 0.00 31.60 32.16 3k40 h MET 13 CO -0.03 0.67 0.14 0.28 -0.40 0.00 0.00 176.91 177.57 3k40 h VAL 14 N 0.39 1.06 -0.66 -5.77 2.07 -0.77 0.11 116.25 112.69 3k40 h VAL 14 Ca 0.06 -0.13 0.09 0.00 0.82 0.00 0.00 66.70 67.53 3k40 h VAL 14 Cb 0.65 0.76 -0.07 0.00 -1.52 0.00 0.00 31.29 31.12 3k40 h VAL 14 CO 0.05 0.06 0.30 0.44 0.02 0.00 0.00 177.57 178.44 3k40 h ASP 15 N 0.29 0.37 -0.10 0.57 3.32 -1.10 -1.83 116.42 117.94 3k40 h ASP 15 Ca 0.08 0.06 -0.01 0.00 0.02 0.00 0.00 57.03 57.18 3k40 h ASP 15 Cb -0.02 0.01 -0.00 0.00 0.22 0.00 0.00 39.33 39.53 3k40 h ASP 15 CO -0.02 0.22 0.03 0.15 -1.72 0.00 0.00 179.24 177.90 3k40 h PHE 16 N 0.52 0.16 -0.45 4.55 3.57 -0.55 -0.97 116.94 123.77 3k40 h PHE 16 Ca 0.32 -0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.82 3k40 h PHE 16 Cb 0.35 -0.05 -0.03 0.00 2.79 0.00 0.00 35.95 39.01 3k40 h PHE 16 CO -0.13 0.32 0.27 0.82 -2.23 0.00 0.00 178.31 177.36 3k40 h ILE 17 N -0.05 1.05 -0.44 1.41 2.04 -0.53 0.59 117.51 121.58 3k40 h ILE 17 Ca 0.03 -0.18 -0.02 0.00 1.00 0.00 0.00 64.86 65.69 3k40 h ILE 17 Cb 0.24 0.46 -0.02 0.00 -0.74 0.00 0.00 36.82 36.76 3k40 h ILE 17 CO -0.00 0.10 0.21 0.00 0.00 0.00 0.00 178.15 178.46 3k40 h ALA 18 N 1.20 0.57 -0.56 1.87 0.00 -1.27 -1.31 119.26 119.76 3k40 h ALA 18 Ca 0.18 -0.12 0.02 0.00 0.00 0.00 0.00 54.91 55.00 3k40 h ALA 18 Cb 0.01 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 3k40 h ALA 18 CO -0.08 0.14 0.34 0.93 0.00 0.00 0.00 179.25 180.58 3k40 h GLU 19 N 0.57 0.66 0.46 0.00 4.39 -0.88 -0.58 114.58 119.20 3k40 h GLU 19 Ca 0.15 -0.04 -0.02 0.00 0.34 0.00 0.00 59.36 59.79 3k40 h GLU 19 Cb 0.12 -0.15 0.00 0.00 -0.10 0.00 0.00 28.75 28.63 3k40 h GLU 19 CO -0.02 0.44 -0.23 -0.92 -1.16 0.00 0.00 179.01 177.12 3k40 h TYR 20 N 0.68 -0.61 -0.37 4.33 3.20 -0.59 -2.80 116.97 120.81 3k40 h TYR 20 Ca 0.22 -0.01 -0.16 0.00 3.14 0.00 0.00 58.73 61.92 3k40 h TYR 20 Cb 0.00 0.20 -0.01 0.00 1.54 0.00 0.00 36.73 38.47 3k40 h TYR 20 CO -0.06 -0.37 -0.40 -0.07 -1.64 0.00 0.00 178.16 175.62 3k40 h LEU 21 N -0.64 1.00 -0.97 2.82 3.38 -1.15 -2.23 115.31 117.53 3k40 h LEU 21 Ca -0.06 -0.46 0.00 0.00 0.09 0.00 0.00 57.88 57.45 3k40 h LEU 21 Cb 0.50 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.96 3k40 h LEU 21 CO 0.09 1.27 0.00 -0.33 0.09 0.00 0.00 178.44 179.56 3k40 h GLU 22 N 0.75 0.00 0.00 1.13 4.39 -1.15 -2.90 114.58 116.81 3k40 h GLU 22 Ca 0.06 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.74 3k40 h GLU 22 Cb 1.00 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.61 3k40 h GLU 22 CO 0.10 0.00 -0.37 0.09 -1.16 0.00 0.00 179.01 177.67 3k40 n ASN 23 N -2.80 1.75 0.30 1.42 4.13 -1.06 -4.83 115.26 114.18 3k40 n ASN 23 Ca 0.02 -3.28 0.20 0.00 1.68 0.00 0.00 54.58 53.19 3k40 n ASN 23 Cb 0.32 -0.45 0.92 0.00 -1.54 0.00 0.00 39.78 39.03 3k40 n ASN 23 CO 0.00 0.00 0.00 -0.29 0.28 0.00 0.00 177.26 177.25 3k40 h ILE 24 N 1.65 0.01 0.00 2.41 2.10 -1.18 -0.74 117.51 121.76 3k40 h ILE 24 Ca -0.02 -0.30 0.00 0.00 1.08 0.00 0.00 64.86 65.62 3k40 h ILE 24 Cb 1.12 1.29 0.00 0.00 -1.09 0.00 0.00 36.82 38.14 3k40 h ILE 24 CO 0.01 0.00 0.00 0.54 -1.08 0.00 0.00 178.15 177.62 3k40 n ARG 25 N -3.10 0.15 0.24 2.19 1.74 -1.26 -1.99 116.66 114.63 3k40 n ARG 25 Ca -0.01 0.51 0.14 0.00 -0.77 0.00 0.00 57.85 57.72 3k40 n ARG 25 Cb 0.21 -1.87 0.39 0.00 -1.02 0.00 0.00 32.46 30.16 3k40 n ARG 25 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 3k40 h GLU 26 N 0.00 0.00 -6.84 5.56 5.08 -1.52 -3.46 114.58 113.40 3k40 h GLU 26 Ca 0.00 0.00 -0.48 0.00 -1.00 0.00 0.00 59.36 57.88 3k40 h GLU 26 Cb 0.19 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.43 3k40 h GLU 26 CO 0.00 0.00 0.36 1.03 -1.00 0.00 0.00 179.01 179.40 3k40 s ARG 27 N -3.40 4.66 0.16 2.33 1.81 -0.84 -5.03 118.95 118.64 3k40 s ARG 27 Ca 0.05 1.42 -0.30 0.00 -1.72 0.00 0.00 55.73 55.18 3k40 s ARG 27 Cb 0.07 -2.98 -0.07 0.00 -0.45 0.00 0.00 34.95 31.52 3k40 s ARG 27 CO 0.61 0.34 0.94 1.03 -0.68 0.00 0.00 175.30 177.54 3k40 s ARG 28 N -1.73 4.75 0.33 3.54 0.52 -1.26 -4.97 118.95 120.13 3k40 s ARG 28 Ca 0.47 1.44 0.25 0.00 -0.52 0.00 0.00 55.73 57.37 3k40 s ARG 28 Cb -0.22 -3.33 0.60 0.00 0.52 0.00 0.00 34.95 32.51 3k40 s ARG 28 CO 0.28 0.35 1.70 -0.39 0.02 0.00 0.00 175.30 177.26 3k40 h VAL 29 N 3.66 0.00 -3.56 3.52 -1.51 -1.90 -3.42 116.25 113.04 3k40 h VAL 29 Ca -0.44 -0.73 -0.63 0.00 -1.23 0.00 0.00 66.70 63.67 3k40 h VAL 29 Cb 1.21 1.72 -0.18 0.00 -2.13 0.00 0.00 31.29 31.91 3k40 h VAL 29 CO 0.70 0.00 -0.57 -0.76 -1.23 0.00 0.00 177.57 175.71 3k40 s LEU 30 N -5.38 3.78 0.29 4.19 1.43 -1.26 -4.81 118.68 116.92 3k40 s LEU 30 Ca 0.09 -0.02 -0.30 0.00 -1.03 0.00 0.00 54.13 52.87 3k40 s LEU 30 Cb 0.09 -2.00 -0.12 0.00 0.03 0.00 0.00 46.19 44.18 3k40 s LEU 30 CO 0.63 0.05 1.42 -2.65 0.23 0.00 0.00 176.35 176.03 3k40 n PRO 31 N 4.36 2.27 0.08 1.29 -0.02 -1.26 -4.90 135.00 136.82 3k40 n PRO 31 Ca -0.16 0.80 -0.14 0.00 -2.02 0.00 0.00 63.50 61.98 3k40 n PRO 31 Cb 0.52 -2.47 -0.14 0.00 -0.02 0.00 0.00 33.50 31.39 3k40 n PRO 31 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 3k40 h GLU 32 N 3.74 0.21 -7.18 -0.52 9.09 -1.95 -3.46 114.58 114.51 3k40 h GLU 32 Ca -0.46 -0.36 -0.49 0.00 0.05 0.00 0.00 59.36 58.09 3k40 h GLU 32 Cb 1.26 0.13 0.07 0.00 -1.65 0.00 0.00 28.75 28.56 3k40 h GLU 32 CO 0.72 1.14 0.38 0.14 0.05 0.00 0.00 179.01 181.44 3k40 s VAL 33 N -2.66 3.71 0.26 -1.06 -7.23 -1.26 -5.05 120.40 107.12 3k40 s VAL 33 Ca -0.04 0.84 0.04 0.00 -1.81 0.00 0.00 61.98 61.02 3k40 s VAL 33 Cb 0.08 -3.35 -0.03 0.00 0.56 0.00 0.00 36.38 33.63 3k40 s VAL 33 CO 0.87 -0.45 0.40 -0.54 -0.31 0.00 0.00 175.10 175.07 3k40 s LYS 34 N -3.97 3.42 0.31 4.82 3.01 -1.26 -5.02 119.74 121.06 3k40 s LYS 34 Ca 0.65 -0.71 -0.28 0.00 -1.01 0.00 0.00 55.97 54.61 3k40 s LYS 34 Cb -0.17 -2.85 -0.13 0.00 -1.01 0.00 0.00 37.83 33.67 3k40 s LYS 34 CO 0.35 0.36 1.22 -2.30 0.51 0.00 0.00 175.35 175.49 3k40 n PRO 35 N -1.49 1.88 -0.40 -1.68 -0.02 -1.26 -2.05 135.00 129.98 3k40 n PRO 35 Ca -0.08 0.66 0.00 0.00 -2.02 0.00 0.00 63.50 62.06 3k40 n PRO 35 Cb 0.57 -2.19 0.00 0.00 -0.02 0.00 0.00 33.50 31.86 3k40 n PRO 35 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3k40 n GLY 36 N 1.09 0.70 0.23 -1.23 0.00 -1.26 -4.96 105.19 99.75 3k40 n GLY 36 Ca 0.07 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.20 3k40 n GLY 36 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 173.32 173.42 3k40 h TYR 37 N 0.00 0.00 0.11 1.61 -0.00 -1.82 -3.36 116.97 113.52 3k40 h TYR 37 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 58.73 58.51 3k40 h TYR 37 Cb 0.00 0.00 0.01 0.00 0.00 0.00 0.00 36.73 36.74 3k40 h TYR 37 CO 0.00 0.18 -1.05 1.25 -0.00 0.00 0.00 178.16 178.54 3k40 h LEU 38 N 0.00 0.37 -0.66 0.10 6.46 -1.93 -3.37 115.31 116.29 3k40 h LEU 38 Ca -0.00 -0.89 0.14 0.00 -0.12 0.00 0.00 57.88 57.01 3k40 h LEU 38 Cb 0.69 -0.12 -0.10 0.00 -0.73 0.00 0.00 40.66 40.40 3k40 h LEU 38 CO 0.02 1.47 0.09 0.50 -0.62 0.00 0.00 178.44 179.90 3k40 h LYS 39 N -0.42 0.19 0.00 1.25 3.64 -1.92 0.15 116.57 119.47 3k40 h LYS 39 Ca -0.22 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.15 3k40 h LYS 39 Cb 1.64 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 33.41 3k40 h LYS 39 CO 0.08 0.13 0.00 -2.30 -2.27 0.00 0.00 179.45 175.09 3k40 n PRO 40 N -5.21 0.13 0.10 1.90 -0.02 -1.26 -2.60 135.00 128.04 3k40 n PRO 40 Ca 0.11 0.43 0.12 0.00 -2.02 0.00 0.00 63.50 62.14 3k40 n PRO 40 Cb 0.39 -1.78 0.14 0.00 -0.02 0.00 0.00 33.50 32.23 3k40 n PRO 40 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 3k40 h LEU 41 N 0.00 0.00 -8.64 2.45 3.38 -1.13 -3.47 115.31 107.91 3k40 h LEU 41 Ca 0.00 -0.09 -0.36 0.00 0.09 0.00 0.00 57.88 57.52 3k40 h LEU 41 Cb 0.24 0.00 -0.16 0.00 0.09 0.00 0.00 40.66 40.83 3k40 h LEU 41 CO 0.00 0.04 -0.73 0.27 0.09 0.00 0.00 178.44 178.12 3k40 s ILE 42 N -3.23 1.24 0.90 1.22 -4.36 -1.07 -5.06 121.20 110.83 3k40 s ILE 42 Ca 0.05 -1.94 -0.11 0.00 -0.26 0.00 0.00 60.65 58.38 3k40 s ILE 42 Cb 0.11 -1.73 0.11 0.00 1.25 0.00 0.00 42.46 42.20 3k40 s ILE 42 CO 0.72 -0.63 1.01 -2.65 0.24 0.00 0.00 174.94 173.63 3k40 n PRO 43 N 0.05 -0.28 0.00 0.37 -0.02 -1.26 -4.92 135.00 128.93 3k40 n PRO 43 Ca -0.12 -0.02 0.14 0.00 -2.02 0.00 0.00 63.50 61.48 3k40 n PRO 43 Cb 0.59 -2.28 0.54 0.00 -0.02 0.00 0.00 33.50 32.33 3k40 n PRO 43 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 3k40 n ASP 44 N -3.42 0.82 -3.94 2.55 3.85 -1.26 -4.87 116.55 110.28 3k40 n ASP 44 Ca 0.11 -0.89 -0.09 0.00 -0.71 0.00 0.00 54.79 53.22 3k40 n ASP 44 Cb 0.52 0.01 -0.09 0.00 -1.35 0.00 0.00 41.12 40.21 3k40 n ASP 44 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3k40 s ALA 45 N -2.36 -0.02 0.58 2.12 0.00 -1.26 -5.15 121.76 115.68 3k40 s ALA 45 Ca 0.30 -0.66 -0.20 0.00 0.00 0.00 0.00 51.96 51.41 3k40 s ALA 45 Cb 0.20 0.30 -0.05 0.00 0.00 0.00 0.00 23.12 23.58 3k40 s ALA 45 CO 0.45 -0.37 1.12 0.00 0.00 0.00 0.00 175.76 176.97 3k40 n ALA 46 N 0.49 0.67 -1.77 0.00 0.00 -1.26 -4.97 120.51 113.67 3k40 n ALA 46 Ca -0.17 0.05 -0.38 0.00 0.00 0.00 0.00 53.44 52.94 3k40 n ALA 46 Cb 0.60 -2.20 -0.04 0.00 0.00 0.00 0.00 19.45 17.81 3k40 n ALA 46 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3k40 s PRO 47 N -2.85 4.28 0.12 0.00 0.04 -1.26 -4.96 135.00 130.38 3k40 s PRO 47 Ca 0.75 1.67 -0.13 0.00 0.04 0.00 0.00 61.00 63.33 3k40 s PRO 47 Cb -0.42 -2.76 -0.05 0.00 0.04 0.00 0.00 34.50 31.30 3k40 s PRO 47 CO 0.47 -0.07 1.47 0.93 0.04 0.00 0.00 177.00 179.83 3k40 h GLU 48 N 2.92 0.83 -6.23 4.56 4.39 -2.07 -3.45 114.58 115.53 3k40 h GLU 48 Ca -0.48 -0.42 -0.60 0.00 0.34 0.00 0.00 59.36 58.20 3k40 h GLU 48 Cb 1.22 0.00 -0.09 0.00 -0.10 0.00 0.00 28.75 29.79 3k40 h GLU 48 CO 0.64 1.05 -0.60 0.15 -1.16 0.00 0.00 179.01 179.09 3k40 s LYS 49 N -4.45 2.79 0.38 2.33 -0.14 -1.26 -5.08 119.74 114.31 3k40 s LYS 49 Ca -0.12 -0.85 -0.27 0.00 -1.36 0.00 0.00 55.97 53.38 3k40 s LYS 49 Cb 0.10 -2.62 -0.09 0.00 -1.68 0.00 0.00 37.83 33.54 3k40 s LYS 49 CO 0.85 0.51 1.34 -1.25 -0.76 0.00 0.00 175.35 176.04 3k40 s PRO 50 N -2.79 4.08 0.72 -1.68 0.04 -1.26 -5.03 135.00 129.07 3k40 s PRO 50 Ca 0.29 2.26 -0.05 0.00 0.04 0.00 0.00 61.00 63.53 3k40 s PRO 50 Cb -0.11 -2.87 0.09 0.00 0.04 0.00 0.00 34.50 31.65 3k40 s PRO 50 CO 0.22 -0.43 1.01 -1.21 0.04 0.00 0.00 177.00 176.63 3k40 s GLU 51 N -2.10 1.97 0.09 4.56 2.02 -1.26 -5.09 118.70 118.88 3k40 s GLU 51 Ca 0.54 -0.51 -0.19 0.00 0.02 0.00 0.00 54.97 54.83 3k40 s GLU 51 Cb -0.40 -2.21 -0.07 0.00 0.10 0.00 0.00 34.13 31.55 3k40 s GLU 51 CO 0.53 -1.34 0.58 0.15 0.02 0.00 0.00 175.26 175.20 3k40 s LYS 52 N -5.23 4.19 0.43 1.61 1.02 -1.26 -4.97 119.74 115.52 3k40 s LYS 52 Ca 0.62 0.73 0.11 0.00 0.02 0.00 0.00 55.97 57.45 3k40 s LYS 52 Cb -0.09 -3.18 0.96 0.00 -0.52 0.00 0.00 37.83 35.00 3k40 s LYS 52 CO 0.45 0.61 2.02 0.11 -0.92 0.00 0.00 175.35 177.61 3k40 h TRP 53 N 4.35 0.46 -0.71 3.18 5.08 -1.98 -1.34 115.95 124.99 3k40 h TRP 53 Ca -0.49 0.01 0.02 0.00 1.08 0.00 0.00 58.89 59.51 3k40 h TRP 53 Cb 1.21 -0.15 -0.04 0.00 -3.00 0.00 0.00 29.16 27.18 3k40 h TRP 53 CO 0.67 0.25 0.47 1.96 -1.28 0.00 0.00 178.44 180.51 3k40 h GLN 54 N 0.46 0.87 -0.10 0.12 7.50 -1.99 0.25 115.11 122.22 3k40 h GLN 54 Ca 0.22 -0.05 -0.16 0.00 0.50 0.00 0.00 58.65 59.16 3k40 h GLN 54 Cb 0.27 -0.20 -0.01 0.00 0.05 0.00 0.00 27.48 27.60 3k40 h GLN 54 CO -0.06 0.57 -0.62 -0.44 -1.50 0.00 0.00 178.83 176.79 3k40 h ASP 55 N 0.89 0.39 -0.18 1.46 3.32 -1.65 -1.27 116.42 119.38 3k40 h ASP 55 Ca 0.27 -0.23 -0.01 0.00 0.02 0.00 0.00 57.03 57.08 3k40 h ASP 55 Cb -0.01 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.42 3k40 h ASP 55 CO -0.07 0.91 0.07 0.58 -1.72 0.00 0.00 179.24 179.01 3k40 h VAL 56 N 0.25 1.16 -0.57 -1.35 2.07 -1.11 -2.43 116.25 114.28 3k40 h VAL 56 Ca -0.01 -0.49 0.05 0.00 0.82 0.00 0.00 66.70 67.08 3k40 h VAL 56 Cb 1.15 1.15 -0.05 0.00 -1.52 0.00 0.00 31.29 32.01 3k40 h VAL 56 CO 0.10 0.16 0.29 0.24 0.02 0.00 0.00 177.57 178.38 3k40 h MET 57 N 0.14 0.53 -0.86 1.57 2.86 -0.75 0.04 114.93 118.45 3k40 h MET 57 Ca 0.06 -0.03 0.11 0.00 -2.06 0.00 0.00 59.70 57.78 3k40 h MET 57 Cb 0.18 -0.12 -0.06 0.00 0.06 0.00 0.00 31.60 31.66 3k40 h MET 57 CO -0.00 0.35 0.56 1.96 1.06 0.00 0.00 176.91 180.83 3k40 h GLN 58 N 0.55 0.75 0.00 1.72 4.20 -1.17 -2.25 115.11 118.91 3k40 h GLN 58 Ca 0.26 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.92 3k40 h GLN 58 Cb 0.18 -0.17 0.00 0.00 0.30 0.00 0.00 27.48 27.79 3k40 h GLN 58 CO -0.18 0.50 0.00 -0.25 -0.67 0.00 0.00 178.83 178.23 3k40 n ASP 59 N -4.53 0.55 0.12 1.46 8.00 -0.03 -2.89 116.55 119.24 3k40 n ASP 59 Ca 0.15 0.60 -0.14 0.00 0.71 0.00 0.00 54.79 56.12 3k40 n ASP 59 Cb 0.36 -0.73 -0.08 0.00 -0.02 0.00 0.00 41.12 40.65 3k40 n ASP 59 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 3k40 h ILE 60 N 0.00 0.87 -0.06 0.53 1.08 -1.12 0.19 117.51 118.99 3k40 h ILE 60 Ca 0.00 -0.25 -0.22 0.00 -0.39 0.00 0.00 64.86 64.00 3k40 h ILE 60 Cb 0.47 1.02 0.01 0.00 -3.07 0.00 0.00 36.82 35.25 3k40 h ILE 60 CO 0.00 0.06 -0.86 -0.08 -0.69 0.00 0.00 178.15 176.58 3k40 h GLU 61 N -0.37 0.56 -0.28 2.37 4.57 -1.72 -0.19 114.58 119.52 3k40 h GLU 61 Ca -0.03 -0.52 -0.11 0.00 -1.18 0.00 0.00 59.36 57.52 3k40 h GLU 61 Cb 0.29 0.13 -0.00 0.00 -0.16 0.00 0.00 28.75 29.00 3k40 h GLU 61 CO 0.04 1.15 -0.25 -0.09 -1.18 0.00 0.00 179.01 178.68 3k40 h ARG 62 N 0.36 0.67 0.00 1.92 2.43 -1.52 -3.38 114.38 114.85 3k40 h ARG 62 Ca -0.07 -0.34 -0.23 0.00 -0.81 0.00 0.00 59.98 58.53 3k40 h ARG 62 Cb 1.48 0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 31.00 3k40 h ARG 62 CO 0.16 0.95 -1.87 0.28 -1.51 0.00 0.00 179.97 177.98 3k40 n VAL 63 N -4.31 0.87 -0.07 0.20 0.31 0.63 -4.78 118.33 111.19 3k40 n VAL 63 Ca -0.04 -0.32 -0.05 0.00 -0.01 0.00 0.00 64.34 63.92 3k40 n VAL 63 Cb 0.45 -1.12 -0.03 0.00 -0.91 0.00 0.00 33.84 32.23 3k40 n VAL 63 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 3k40 h ILE 64 N -0.07 0.17 -0.53 2.52 1.08 -1.23 -3.41 117.51 116.05 3k40 h ILE 64 Ca -0.35 -1.18 0.03 0.00 -0.39 0.00 0.00 64.86 62.98 3k40 h ILE 64 Cb 1.50 0.37 -0.03 0.00 -3.07 0.00 0.00 36.82 35.60 3k40 h ILE 64 CO -0.08 0.06 0.35 0.24 -0.69 0.00 0.00 178.15 178.03 3k40 h MET 65 N -1.00 0.59 -0.63 2.37 2.86 -1.23 -0.24 114.93 117.64 3k40 h MET 65 Ca -0.03 -0.04 0.16 0.00 -2.06 0.00 0.00 59.70 57.73 3k40 h MET 65 Cb 0.45 -0.13 -0.03 0.00 0.06 0.00 0.00 31.60 31.94 3k40 h MET 65 CO -0.02 0.39 0.44 -1.35 1.06 0.00 0.00 176.91 177.43 3k40 h PRO 66 N 0.61 0.12 -0.56 -0.22 0.11 -1.78 -2.65 132.00 127.63 3k40 h PRO 66 Ca 0.21 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.32 3k40 h PRO 66 Cb 0.10 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.18 3k40 h PRO 66 CO -0.06 0.08 0.00 0.41 -0.21 0.00 0.00 178.00 178.23 3k40 n GLY 67 N -1.61 2.43 3.80 -0.55 0.00 -0.12 -4.27 105.19 104.86 3k40 n GLY 67 Ca 0.12 -0.65 -0.38 0.00 0.00 0.00 0.00 46.02 45.11 3k40 n GLY 67 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3k40 s VAL 68 N -1.05 4.53 -0.18 1.61 1.01 -1.00 -5.04 120.40 120.28 3k40 s VAL 68 Ca 0.39 1.45 -0.24 0.00 0.00 0.00 0.00 61.98 63.58 3k40 s VAL 68 Cb 0.21 -4.00 -0.02 0.00 0.00 0.00 0.00 36.38 32.57 3k40 s VAL 68 CO 0.27 0.46 0.78 -0.89 0.00 0.00 0.00 175.10 175.72 3k40 s THR 69 N -1.22 4.91 -1.23 3.92 2.01 -1.26 -4.79 115.64 117.98 3k40 s THR 69 Ca 0.35 1.52 -0.13 0.00 0.31 0.00 0.00 61.69 63.74 3k40 s THR 69 Cb -0.21 -4.09 0.16 0.00 0.01 0.00 0.00 72.50 68.38 3k40 s THR 69 CO 0.23 0.05 1.55 1.41 -0.69 0.00 0.00 174.62 177.17 3k40 n HIS 70 N 5.19 4.55 0.02 4.92 -0.00 -1.26 -4.80 115.22 123.84 3k40 n HIS 70 Ca 0.03 -3.21 0.21 0.00 -0.00 0.00 0.00 57.72 54.74 3k40 n HIS 70 Cb 0.49 -2.18 0.72 0.00 -0.00 0.00 0.00 29.99 29.02 3k40 n HIS 70 CO 0.00 0.00 0.00 -1.49 -0.00 0.00 0.00 176.34 174.85 3k40 h TRP 71 N 6.87 0.00 -0.40 4.41 4.06 -1.95 -1.33 115.95 127.61 3k40 h TRP 71 Ca 0.35 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.30 3k40 h TRP 71 Cb 0.82 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.98 3k40 h TRP 71 CO 1.16 0.00 0.00 0.72 -3.56 0.00 0.00 178.44 176.76 3k40 n HIS 72 N -4.17 0.52 -2.35 0.49 8.25 -1.26 -4.59 115.22 112.11 3k40 n HIS 72 Ca 0.09 -0.26 -0.42 0.00 -0.26 0.00 0.00 57.72 56.88 3k40 n HIS 72 Cb 0.62 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.70 3k40 n HIS 72 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 3k40 s SER 73 N -1.41 7.02 0.00 0.41 0.15 -0.50 -4.69 113.70 114.68 3k40 s SER 73 Ca 0.38 2.17 0.07 0.00 0.70 0.00 0.00 55.95 59.27 3k40 s SER 73 Cb 0.22 -2.59 0.32 0.00 -1.71 0.00 0.00 66.02 62.26 3k40 s SER 73 CO 0.30 -0.47 1.10 -0.81 1.20 0.00 0.00 173.24 174.56 3k40 n PRO 74 N 3.37 0.07 0.00 5.44 -0.04 -1.26 -1.30 135.00 141.28 3k40 n PRO 74 Ca 0.08 0.27 0.13 0.00 -0.04 0.00 0.00 63.50 63.93 3k40 n PRO 74 Cb 0.45 -1.50 0.30 0.00 -0.04 0.00 0.00 33.50 32.70 3k40 n PRO 74 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 3k40 n LYS 75 N -1.34 0.87 -3.74 0.54 5.02 -1.26 -4.84 118.16 113.40 3k40 n LYS 75 Ca 0.03 -0.56 -0.38 0.00 -2.02 0.00 0.00 58.31 55.38 3k40 n LYS 75 Cb 0.06 -1.49 -0.12 0.00 -0.02 0.00 0.00 35.03 33.46 3k40 n LYS 75 CO 0.00 0.00 0.00 0.12 -0.52 0.00 0.00 177.40 177.00 3k40 s PHE 76 N -2.52 3.17 -0.69 2.13 2.19 -0.42 -1.42 117.98 120.42 3k40 s PHE 76 Ca 0.23 -1.02 -0.06 0.00 0.33 0.00 0.00 56.93 56.41 3k40 s PHE 76 Cb 0.19 -2.28 0.18 0.00 -1.31 0.00 0.00 43.02 39.80 3k40 s PHE 76 CO 0.54 -0.60 0.54 -1.01 1.83 0.00 0.00 175.22 176.52 3k40 s HIS 77 N 1.50 3.50 0.00 10.12 3.76 -0.15 -4.60 115.29 129.41 3k40 s HIS 77 Ca 0.02 -2.55 0.00 0.00 -0.15 0.00 0.00 55.06 52.38 3k40 s HIS 77 Cb -0.18 -3.36 0.00 0.00 1.11 0.00 0.00 32.58 30.16 3k40 s HIS 77 CO 0.03 -0.87 0.00 0.00 -0.85 0.00 0.00 174.74 173.05 3k40 n ALA 78 N 3.55 0.00 -0.05 -1.40 0.00 -1.26 -3.80 120.51 117.55 3k40 n ALA 78 Ca 0.10 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.43 3k40 n ALA 78 Cb 0.40 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.81 3k40 n ALA 78 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.50 179.38 3k40 h TYR 79 N -0.90 0.30 -3.79 0.00 0.05 -1.97 -3.40 116.97 107.25 3k40 h TYR 79 Ca 0.00 -0.02 -0.09 0.00 0.05 0.00 0.00 58.73 58.67 3k40 h TYR 79 Cb 0.00 -0.09 -0.12 0.00 1.01 0.00 0.00 36.73 37.53 3k40 h TYR 79 CO 0.00 0.31 -0.27 -0.06 -1.05 0.00 0.00 178.16 177.09 3k40 s PHE 80 N -5.67 0.30 0.46 4.88 0.08 -1.26 -4.77 117.98 112.00 3k40 s PHE 80 Ca -0.13 -0.67 -0.24 0.00 0.12 0.00 0.00 56.93 56.01 3k40 s PHE 80 Cb 0.08 0.01 -0.08 0.00 -0.57 0.00 0.00 43.02 42.45 3k40 s PHE 80 CO 0.71 -0.73 1.23 -0.35 -0.10 0.00 0.00 175.22 175.97 3k40 n PRO 81 N -0.22 1.73 -3.63 0.24 -0.04 -1.26 -4.91 135.00 126.91 3k40 n PRO 81 Ca -0.08 0.62 -0.39 0.00 -0.04 0.00 0.00 63.50 63.61 3k40 n PRO 81 Cb 0.63 -2.37 -0.11 0.00 -0.04 0.00 0.00 33.50 31.61 3k40 n PRO 81 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 3k40 s THR 82 N -1.26 4.75 0.28 0.52 2.01 -1.26 -4.54 115.64 116.13 3k40 s THR 82 Ca 0.65 -0.38 -0.29 0.00 0.31 0.00 0.00 61.69 61.97 3k40 s THR 82 Cb -0.48 -3.43 -0.10 0.00 0.01 0.00 0.00 72.50 68.50 3k40 s THR 82 CO 0.55 0.05 1.36 0.00 -0.69 0.00 0.00 174.62 175.89 3k40 s ALA 83 N 1.64 3.56 -0.07 7.40 0.00 -0.01 -4.97 121.76 129.30 3k40 s ALA 83 Ca 0.05 1.27 -0.05 0.00 0.00 0.00 0.00 51.96 53.23 3k40 s ALA 83 Cb -0.17 -3.51 0.02 0.00 0.00 0.00 0.00 23.12 19.46 3k40 s ALA 83 CO 0.07 -0.68 0.18 1.21 0.00 0.00 0.00 175.76 176.55 3k40 s ASN 84 N -0.02 -0.18 0.05 0.00 2.47 -1.26 -4.16 114.94 111.84 3k40 s ASN 84 Ca 0.54 0.37 -0.17 0.00 0.42 0.00 0.00 52.86 54.02 3k40 s ASN 84 Cb -0.40 0.34 0.03 0.00 -1.45 0.00 0.00 41.25 39.77 3k40 s ASN 84 CO 0.47 -0.09 0.38 -0.94 -3.72 0.00 0.00 177.10 173.20 3k40 s SER 85 N 0.41 -0.23 0.17 -4.21 1.04 -1.25 -4.82 113.70 104.81 3k40 s SER 85 Ca -0.03 -0.08 -0.13 0.00 0.48 0.00 0.00 55.95 56.20 3k40 s SER 85 Cb -0.04 0.41 0.07 0.00 0.10 0.00 0.00 66.02 66.56 3k40 s SER 85 CO -0.02 -0.66 1.77 1.88 0.98 0.00 0.00 173.24 177.19 3k40 h TYR 86 N 3.04 0.82 -0.85 5.02 0.05 -2.00 -2.20 116.97 120.85 3k40 h TYR 86 Ca -0.32 -0.03 0.06 0.00 0.05 0.00 0.00 58.73 58.49 3k40 h TYR 86 Cb 1.21 -0.26 -0.05 0.00 1.01 0.00 0.00 36.73 38.64 3k40 h TYR 86 CO 0.42 0.62 0.56 -1.35 -1.05 0.00 0.00 178.16 177.35 3k40 h PRO 87 N 0.78 0.95 -0.22 4.88 0.11 -1.93 -2.41 132.00 134.16 3k40 h PRO 87 Ca 0.20 -0.06 -0.14 0.00 0.11 0.00 0.00 66.00 66.11 3k40 h PRO 87 Cb 0.09 -0.21 -0.01 0.00 0.11 0.00 0.00 31.00 30.98 3k40 h PRO 87 CO -0.03 0.63 -0.44 0.00 -0.21 0.00 0.00 178.00 177.95 3k40 h ALA 88 N 1.53 0.82 -0.43 -0.75 0.00 -1.78 -1.78 119.26 116.87 3k40 h ALA 88 Ca 0.36 -0.46 0.02 0.00 0.00 0.00 0.00 54.91 54.83 3k40 h ALA 88 Cb 0.17 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 3k40 h ALA 88 CO -0.13 0.66 0.25 0.82 0.00 0.00 0.00 179.25 180.85 3k40 h ILE 89 N 0.45 1.04 -0.41 0.00 2.04 -0.94 -0.79 117.51 118.91 3k40 h ILE 89 Ca 0.03 -0.17 -0.12 0.00 1.00 0.00 0.00 64.86 65.60 3k40 h ILE 89 Cb 0.95 0.49 -0.01 0.00 -0.74 0.00 0.00 36.82 37.51 3k40 h ILE 89 CO 0.08 0.09 -0.22 0.58 0.00 0.00 0.00 178.15 178.69 3k40 h VAL 90 N 0.50 1.28 -0.41 1.67 2.07 -1.23 -2.49 116.25 117.64 3k40 h VAL 90 Ca 0.17 -1.37 0.06 0.00 0.82 0.00 0.00 66.70 66.38 3k40 h VAL 90 Cb 0.02 1.28 -0.05 0.00 -1.52 0.00 0.00 31.29 31.01 3k40 h VAL 90 CO -0.08 0.46 0.12 0.00 0.02 0.00 0.00 177.57 178.09 3k40 h ALA 91 N 0.81 0.48 0.00 1.67 0.00 -1.11 -2.54 119.26 118.57 3k40 h ALA 91 Ca 0.09 0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 3k40 h ALA 91 Cb 0.78 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.63 3k40 h ALA 91 CO 0.06 -0.27 -0.15 -0.44 0.00 0.00 0.00 179.25 178.45 3k40 h ASP 92 N 0.27 0.00 -0.33 0.00 3.32 -0.84 0.13 116.42 118.97 3k40 h ASP 92 Ca 0.20 0.00 0.01 0.00 0.02 0.00 0.00 57.03 57.26 3k40 h ASP 92 Cb 0.21 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.73 3k40 h ASP 92 CO -0.22 0.15 0.19 0.24 -1.72 0.00 0.00 179.24 177.88 3k40 h MET 93 N 0.00 0.39 -0.17 3.56 2.86 -1.02 -0.17 114.93 120.37 3k40 h MET 93 Ca -0.00 -0.02 -0.07 0.00 -2.06 0.00 0.00 59.70 57.55 3k40 h MET 93 Cb 0.34 -0.09 -0.00 0.00 0.06 0.00 0.00 31.60 31.91 3k40 h MET 93 CO 0.02 0.25 -0.17 1.25 1.06 0.00 0.00 176.91 179.33 3k40 h LEU 94 N 0.40 0.44 -1.12 1.22 5.85 -1.27 -2.80 115.31 118.02 3k40 h LEU 94 Ca 0.13 -0.48 0.06 0.00 0.84 0.00 0.00 57.88 58.43 3k40 h LEU 94 Cb 0.00 -0.12 -0.06 0.00 0.37 0.00 0.00 40.66 40.85 3k40 h LEU 94 CO -0.06 0.83 0.60 0.28 -0.34 0.00 0.00 178.44 179.74 3k40 h SER 95 N 0.06 0.93 -1.01 1.25 0.02 -0.93 -1.21 113.55 112.66 3k40 h SER 95 Ca 0.03 0.01 0.01 0.00 -0.84 0.00 0.00 61.79 60.99 3k40 h SER 95 Cb 0.70 -0.20 -0.05 0.00 0.14 0.00 0.00 62.40 62.99 3k40 h SER 95 CO 0.04 0.60 0.67 1.23 -1.14 0.00 0.00 176.83 178.23 3k40 h GLY 96 N 1.06 1.42 1.91 -3.77 0.00 -0.91 0.17 103.07 102.96 3k40 h GLY 96 Ca 0.39 -0.53 -0.14 0.00 0.00 0.00 0.00 47.33 47.06 3k40 h GLY 96 CO -0.15 0.51 -0.61 0.00 0.00 0.00 0.00 176.54 176.29 3k40 h ALA 97 N 1.38 0.93 0.00 3.60 0.00 -1.01 -3.39 119.26 120.77 3k40 h ALA 97 Ca 0.37 -0.55 0.00 0.00 0.00 0.00 0.00 54.91 54.73 3k40 h ALA 97 Cb -0.14 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.55 3k40 h ALA 97 CO -0.08 0.75 -0.53 0.44 0.00 0.00 0.00 179.25 179.82 3k40 n ILE 98 N -3.84 0.00 -2.50 0.00 -5.35 -0.56 -5.08 119.36 102.03 3k40 n ILE 98 Ca -0.02 -0.23 -0.26 0.00 -0.27 0.00 0.00 62.75 61.97 3k40 n ILE 98 Cb 0.61 0.73 0.03 0.00 -1.74 0.00 0.00 39.64 39.28 3k40 n ILE 98 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3k40 s ALA 99 N -1.53 3.40 0.16 -1.28 0.00 0.57 -5.07 121.76 118.01 3k40 s ALA 99 Ca 0.00 -0.80 0.04 0.00 0.00 0.00 0.00 51.96 51.21 3k40 s ALA 99 Cb 0.00 -2.50 -0.05 0.00 0.00 0.00 0.00 23.12 20.57 3k40 s ALA 99 CO 0.00 -0.75 -0.08 0.00 0.00 0.00 0.00 175.76 174.93 3k40 h ILE 101 N 2.72 0.73 0.00 0.00 3.07 -1.97 -2.50 117.51 119.56 3k40 h ILE 101 Ca -0.37 -0.06 0.00 0.00 1.55 0.00 0.00 64.86 65.98 3k40 h ILE 101 Cb 1.20 0.52 0.00 0.00 -0.27 0.00 0.00 36.82 38.27 3k40 h ILE 101 CO 0.64 0.03 0.00 0.61 -1.05 0.00 0.00 178.15 178.38 3k40 n GLY 102 N -1.60 1.19 0.35 0.16 0.00 -1.26 -4.59 105.19 99.44 3k40 n GLY 102 Ca 0.13 -0.13 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 3k40 n GLY 102 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3k40 h PHE 103 N 0.00 -0.77 -3.06 1.61 -0.00 -2.04 -3.38 116.94 109.29 3k40 h PHE 103 Ca 0.00 -0.02 -0.57 0.00 -0.00 0.00 0.00 57.97 57.38 3k40 h PHE 103 Cb 0.04 0.25 -0.05 0.00 -0.00 0.00 0.00 35.95 36.19 3k40 h PHE 103 CO 0.00 -0.43 0.85 0.99 -0.00 0.00 0.00 178.31 179.72 3k40 s THR 104 N -5.25 4.51 -0.19 4.41 2.01 -1.26 -4.95 115.64 114.91 3k40 s THR 104 Ca -0.16 1.80 -0.32 0.00 0.31 0.00 0.00 61.69 63.32 3k40 s THR 104 Cb 0.02 -4.22 -0.09 0.00 0.01 0.00 0.00 72.50 68.22 3k40 s THR 104 CO 0.54 -0.23 2.09 1.87 -0.69 0.00 0.00 174.62 178.20 3k40 n TRP 105 N 6.56 2.02 -1.55 4.92 -0.00 -1.26 -4.85 117.44 123.29 3k40 n TRP 105 Ca 0.13 -0.01 -0.38 0.00 -0.00 0.00 0.00 57.50 57.24 3k40 n TRP 105 Cb 0.46 -2.66 -0.04 0.00 -0.00 0.00 0.00 31.31 29.06 3k40 n TRP 105 CO 0.00 0.00 0.00 -0.89 -0.00 0.00 0.00 177.69 176.80 3k40 n ILE 106 N 6.66 0.01 -2.10 5.87 -0.00 -1.26 -4.86 119.36 123.68 3k40 n ILE 106 Ca 0.30 -0.66 -0.38 0.00 -0.00 0.00 0.00 62.75 62.00 3k40 n ILE 106 Cb 0.34 -2.56 0.02 0.00 -0.00 0.00 0.00 39.64 37.43 3k40 n ILE 106 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 3k40 n ALA 107 N 14.55 6.40 -3.88 -1.39 0.00 -1.26 -4.96 120.51 129.97 3k40 n ALA 107 Ca 0.38 -4.12 -0.33 0.00 0.00 0.00 0.00 53.44 49.36 3k40 n ALA 107 Cb 0.48 -2.16 -0.16 0.00 0.00 0.00 0.00 19.45 17.62 3k40 n ALA 107 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3k40 s SER 108 N -0.82 3.34 0.13 0.00 0.15 -1.26 -5.04 113.70 110.20 3k40 s SER 108 Ca 0.49 -0.59 -0.23 0.00 0.70 0.00 0.00 55.95 56.33 3k40 s SER 108 Cb 0.33 -1.52 -0.03 0.00 -1.71 0.00 0.00 66.02 63.08 3k40 s SER 108 CO -0.27 0.02 1.67 -0.65 1.20 0.00 0.00 173.24 175.21 3k40 h PRO 109 N 7.77 -0.21 -0.29 5.44 0.11 -2.00 -3.04 132.00 139.80 3k40 h PRO 109 Ca -0.41 0.01 -0.00 0.00 0.11 0.00 0.00 66.00 65.71 3k40 h PRO 109 Cb 1.16 0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 3k40 h PRO 109 CO 0.61 -0.14 0.16 0.00 -0.21 0.00 0.00 178.00 178.42 3k40 h ALA 110 N 0.79 0.37 -0.04 -0.75 0.00 -1.98 0.20 119.26 117.86 3k40 h ALA 110 Ca 0.08 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 54.94 3k40 h ALA 110 Cb 0.33 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 3k40 h ALA 110 CO -0.22 -0.11 -0.03 0.00 0.00 0.00 0.00 179.25 178.90 3k40 h THR 112 N -0.03 1.24 -0.32 0.00 2.02 -1.45 -3.04 112.91 111.34 3k40 h THR 112 Ca 0.03 -0.91 -0.13 0.00 0.77 0.00 0.00 66.41 66.16 3k40 h THR 112 Cb 0.06 1.85 -0.01 0.00 -1.74 0.00 0.00 68.15 68.31 3k40 h THR 112 CO -0.06 0.23 -0.34 -0.33 0.37 0.00 0.00 175.52 175.39 3k40 h GLU 113 N -0.45 0.71 -0.67 6.66 5.08 -0.58 -2.44 114.58 122.90 3k40 h GLU 113 Ca -0.00 -0.34 -0.06 0.00 -1.00 0.00 0.00 59.36 57.95 3k40 h GLU 113 Cb 0.41 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.63 3k40 h GLU 113 CO 0.01 0.95 0.17 1.25 -1.00 0.00 0.00 179.01 180.39 3k40 h LEU 114 N 0.60 1.00 -0.53 1.33 5.85 -1.33 -2.60 115.31 119.62 3k40 h LEU 114 Ca 0.06 -0.20 0.02 0.00 0.84 0.00 0.00 57.88 58.60 3k40 h LEU 114 Cb 0.87 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.60 3k40 h LEU 114 CO 0.08 0.96 0.32 -0.08 -0.34 0.00 0.00 178.44 179.38 3k40 h GLU 115 N 1.01 0.63 0.01 1.25 4.81 -1.36 -0.79 114.58 120.14 3k40 h GLU 115 Ca 0.21 -0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.41 3k40 h GLU 115 Cb 0.35 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.59 3k40 h GLU 115 CO 0.00 0.42 -0.00 0.28 -0.73 0.00 0.00 179.01 178.97 3k40 h VAL 116 N 0.65 1.01 -0.72 0.32 2.07 -1.21 -2.03 116.25 116.35 3k40 h VAL 116 Ca 0.21 -0.06 -0.06 0.00 0.82 0.00 0.00 66.70 67.60 3k40 h VAL 116 Cb -0.00 1.06 -0.03 0.00 -1.52 0.00 0.00 31.29 30.79 3k40 h VAL 116 CO -0.08 0.02 0.20 0.58 0.02 0.00 0.00 177.57 178.30 3k40 h VAL 117 N -0.04 1.26 -0.32 2.57 2.07 -1.26 -2.06 116.25 118.47 3k40 h VAL 117 Ca -0.00 -0.94 -0.09 0.00 0.82 0.00 0.00 66.70 66.49 3k40 h VAL 117 Cb 0.03 0.49 -0.02 0.00 -1.52 0.00 0.00 31.29 30.28 3k40 h VAL 117 CO 0.00 0.37 -0.19 0.24 0.02 0.00 0.00 177.57 178.01 3k40 h MET 118 N 1.08 0.59 0.00 1.57 2.07 -1.05 0.15 114.93 119.35 3k40 h MET 118 Ca 0.23 -0.21 -0.09 0.00 -2.07 0.00 0.00 59.70 57.56 3k40 h MET 118 Cb 0.34 -0.04 -0.01 0.00 -1.87 0.00 0.00 31.60 30.01 3k40 h MET 118 CO -0.00 0.75 -0.45 0.52 1.07 0.00 0.00 176.91 178.80 3k40 h MET 119 N 0.53 0.00 -0.10 1.72 2.86 -1.07 0.70 114.93 119.57 3k40 h MET 119 Ca 0.08 0.00 -0.16 0.00 -2.06 0.00 0.00 59.70 57.57 3k40 h MET 119 Cb 0.62 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.29 3k40 h MET 119 CO 0.04 0.45 -0.54 -0.44 1.06 0.00 0.00 176.91 177.48 3k40 h ASP 120 N 0.00 0.65 -0.19 1.22 3.32 -0.82 0.30 116.42 120.91 3k40 h ASP 120 Ca -0.00 -0.65 0.05 0.00 0.02 0.00 0.00 57.03 56.45 3k40 h ASP 120 Cb 0.82 -0.19 -0.06 0.00 0.22 0.00 0.00 39.33 40.12 3k40 h ASP 120 CO 0.06 1.20 -0.21 -0.50 -1.72 0.00 0.00 179.24 178.07 3k40 h TRP 121 N 0.15 -0.54 -0.26 4.55 4.06 -0.51 -0.49 115.95 122.92 3k40 h TRP 121 Ca -0.04 0.03 -0.14 0.00 2.06 0.00 0.00 58.89 60.81 3k40 h TRP 121 Cb 1.19 0.27 -0.01 0.00 -1.00 0.00 0.00 29.16 29.61 3k40 h TRP 121 CO 0.11 -0.28 -0.40 1.25 -3.56 0.00 0.00 178.44 175.56 3k40 h LEU 122 N -0.23 0.65 -0.93 -4.49 5.85 -0.88 -2.02 115.31 113.25 3k40 h LEU 122 Ca 0.12 -0.29 -0.09 0.00 0.84 0.00 0.00 57.88 58.46 3k40 h LEU 122 Cb 0.41 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.24 3k40 h LEU 122 CO -0.32 0.97 -0.17 1.23 -0.34 0.00 0.00 178.44 179.81 3k40 h GLY 123 N 1.02 0.63 0.97 3.75 0.00 -0.67 -2.06 103.07 106.71 3k40 h GLY 123 Ca 0.04 -0.49 -0.08 0.00 0.00 0.00 0.00 47.33 46.81 3k40 h GLY 123 CO 0.08 0.45 -0.06 0.50 0.00 0.00 0.00 176.54 177.51 3k40 h LYS 124 N 0.53 0.75 -0.59 4.80 1.57 -0.91 -0.90 116.57 121.82 3k40 h LYS 124 Ca 0.09 -0.27 0.07 0.00 -1.87 0.00 0.00 60.65 58.67 3k40 h LYS 124 Cb 0.60 -0.05 -0.04 0.00 0.08 0.00 0.00 32.23 32.82 3k40 h LYS 124 CO 0.04 0.86 0.39 0.52 -0.57 0.00 0.00 179.45 180.70 3k40 h MET 125 N 0.56 0.52 -0.01 3.15 2.86 -0.95 0.12 114.93 121.18 3k40 h MET 125 Ca 0.11 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.71 3k40 h MET 125 Cb 0.57 -0.12 0.00 0.00 0.06 0.00 0.00 31.60 32.11 3k40 h MET 125 CO 0.03 0.34 -0.14 1.28 1.06 0.00 0.00 176.91 179.49 3k40 n LEU 126 N -4.48 0.65 -3.92 1.22 4.77 -0.81 -4.27 117.00 110.16 3k40 n LEU 126 Ca 0.08 -0.09 -0.26 0.00 -0.03 0.00 0.00 56.01 55.72 3k40 n LEU 126 Cb 0.26 -0.15 -0.01 0.00 -2.33 0.00 0.00 43.42 41.19 3k40 n LEU 126 CO 0.34 0.12 -0.14 -0.62 -1.33 0.00 0.00 177.39 175.76 3k40 n GLU 127 N -0.82 -3.87 -2.15 3.23 1.02 0.42 -4.86 120.64 113.61 3k40 n GLU 127 Ca 0.14 0.47 -0.38 0.00 -0.02 0.00 0.00 57.16 57.37 3k40 n GLU 127 Cb 0.30 -4.84 -0.00 0.00 -0.02 0.00 0.00 31.44 26.88 3k40 n GLU 127 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3k40 s LEU 128 N -6.97 4.08 0.19 -4.62 1.43 -0.41 -4.95 118.68 107.44 3k40 s LEU 128 Ca 0.15 2.47 -0.31 0.00 -1.03 0.00 0.00 54.13 55.41 3k40 s LEU 128 Cb -0.08 -4.11 -0.16 0.00 0.03 0.00 0.00 46.19 41.87 3k40 s LEU 128 CO 0.87 -0.94 1.00 -2.65 0.23 0.00 0.00 176.35 174.86 3k40 n PRO 129 N -0.28 0.90 -0.52 1.29 -0.02 -1.26 -4.81 135.00 130.30 3k40 n PRO 129 Ca 0.06 0.32 0.43 0.00 -2.02 0.00 0.00 63.50 62.29 3k40 n PRO 129 Cb 0.46 -1.69 0.76 0.00 -0.02 0.00 0.00 33.50 33.01 3k40 n PRO 129 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3k40 h ALA 130 N 2.55 3.36 0.00 3.55 0.00 -1.96 -0.31 119.26 126.45 3k40 h ALA 130 Ca -0.40 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.47 3k40 h ALA 130 Cb 1.37 0.13 -0.00 0.00 0.00 0.00 0.00 17.79 19.29 3k40 h ALA 130 CO 0.65 -1.86 -0.05 1.49 0.00 0.00 0.00 179.25 179.48 3k40 h GLU 131 N 0.03 0.00 0.00 0.00 4.81 -1.98 -2.01 114.58 115.42 3k40 h GLU 131 Ca 0.78 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 60.01 3k40 h GLU 131 Cb 2.97 0.00 0.00 0.00 0.63 0.00 0.00 28.75 32.35 3k40 h GLU 131 CO -0.09 0.05 -0.29 1.19 -0.73 0.00 0.00 179.01 179.15 3k40 n PHE 132 N -3.34 0.19 -3.48 0.92 3.72 -0.13 -3.80 117.46 111.54 3k40 n PHE 132 Ca -0.02 0.05 -0.37 0.00 -0.05 0.00 0.00 57.45 57.07 3k40 n PHE 132 Cb 0.21 -0.48 -0.07 0.00 -0.94 0.00 0.00 39.48 38.20 3k40 n PHE 132 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 3k40 s LEU 133 N -3.36 4.20 0.38 4.37 1.02 -0.76 -2.83 118.68 121.70 3k40 s LEU 133 Ca 0.11 0.50 0.07 0.00 0.02 0.00 0.00 54.13 54.83 3k40 s LEU 133 Cb 0.17 -2.42 0.74 0.00 0.02 0.00 0.00 46.19 44.69 3k40 s LEU 133 CO 0.63 0.02 1.94 0.00 0.02 0.00 0.00 176.35 178.96 3k40 h ALA 134 N 7.01 1.51 0.00 4.21 0.00 -1.86 -2.51 119.26 127.63 3k40 h ALA 134 Ca -0.39 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.37 3k40 h ALA 134 Cb 1.16 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.83 3k40 h ALA 134 CO 0.73 0.36 0.00 0.00 0.00 0.00 0.00 179.25 180.34 3k40 n SER 136 N -1.30 0.99 0.00 0.00 3.41 -0.94 -4.94 113.62 110.84 3k40 n SER 136 Ca 0.05 -1.25 0.00 0.00 -0.26 0.00 0.00 58.87 57.42 3k40 n SER 136 Cb 0.09 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.05 3k40 n SER 136 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3k40 n GLY 137 N 1.15 0.47 0.00 5.00 0.00 -0.84 -5.01 105.19 105.97 3k40 n GLY 137 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 3k40 n GLY 137 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k40 n GLY 138 N -1.96 0.52 0.15 -0.02 0.00 -1.26 -5.01 105.19 97.61 3k40 n GLY 138 Ca 0.00 -1.84 0.12 0.00 0.00 0.00 0.00 46.02 44.29 3k40 n GLY 138 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3k40 h LYS 139 N 0.00 0.00 -7.26 1.61 2.10 -1.88 -3.48 116.57 107.66 3k40 h LYS 139 Ca 0.00 0.00 -0.51 0.00 -2.00 0.00 0.00 60.65 58.14 3k40 h LYS 139 Cb 0.00 0.00 0.11 0.00 -0.90 0.00 0.00 32.23 31.44 3k40 h LYS 139 CO 0.00 0.00 0.35 0.20 -2.00 0.00 0.00 179.45 178.00 3k40 s GLY 140 N -4.32 1.90 0.00 0.07 0.00 -0.92 -3.99 107.32 100.06 3k40 s GLY 140 Ca 0.02 0.38 0.00 0.00 0.00 0.00 0.00 44.72 45.12 3k40 s GLY 140 CO 0.75 0.72 0.00 0.61 0.00 0.00 0.00 173.10 175.18 3k40 n GLY 141 N -0.96 -1.25 3.30 0.20 0.00 -0.84 -3.54 105.19 102.10 3k40 n GLY 141 Ca 0.09 -0.85 -0.18 0.00 0.00 0.00 0.00 46.02 45.08 3k40 n GLY 141 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3k40 s GLY 142 N 0.00 1.27 0.02 -0.02 0.00 -1.26 -1.43 107.32 105.90 3k40 s GLY 142 Ca 0.00 -1.50 0.03 0.00 0.00 0.00 0.00 44.72 43.25 3k40 s GLY 142 CO 0.00 -1.58 -0.10 0.54 0.00 0.00 0.00 173.10 171.97 3k40 s VAL 143 N -2.60 0.75 -0.45 1.40 0.11 0.07 -4.81 120.40 114.88 3k40 s VAL 143 Ca 0.16 -0.73 -0.20 0.00 -2.93 0.00 0.00 61.98 58.29 3k40 s VAL 143 Cb -0.02 -0.69 0.03 0.00 -1.53 0.00 0.00 36.38 34.16 3k40 s VAL 143 CO 0.05 -0.02 0.59 -0.63 -3.33 0.00 0.00 175.10 171.76 3k40 s ILE 144 N -0.69 4.90 0.76 7.04 1.01 -1.26 -1.53 121.20 131.43 3k40 s ILE 144 Ca -0.01 -0.10 -0.05 0.00 0.00 0.00 0.00 60.65 60.49 3k40 s ILE 144 Cb -0.06 -4.18 0.13 0.00 0.01 0.00 0.00 42.46 38.35 3k40 s ILE 144 CO 0.00 -0.59 1.06 -1.10 0.00 0.00 0.00 174.94 174.31 3k40 s GLN 145 N 2.63 1.57 0.01 2.79 -1.52 0.15 -4.87 119.66 120.41 3k40 s GLN 145 Ca 0.19 -0.79 -0.07 0.00 -1.95 0.00 0.00 55.36 52.74 3k40 s GLN 145 Cb -0.16 -2.20 -0.30 0.00 -0.22 0.00 0.00 33.01 30.14 3k40 s GLN 145 CO 0.16 -1.60 0.89 0.78 -0.25 0.00 0.00 175.29 175.27 3k40 h GLY 146 N -0.77 0.38 -3.56 3.09 0.00 -1.92 -1.37 103.07 98.92 3k40 h GLY 146 Ca -0.40 -0.96 -0.11 0.00 0.00 0.00 0.00 47.33 45.86 3k40 h GLY 146 CO 0.44 0.84 -0.48 -0.51 0.00 0.00 0.00 176.54 176.83 3k40 s THR 147 N -2.61 0.15 0.39 4.70 -4.23 -1.26 -4.01 115.64 108.76 3k40 s THR 147 Ca -0.09 -1.23 0.07 0.00 -1.18 0.00 0.00 61.69 59.26 3k40 s THR 147 Cb 0.06 -1.17 0.21 0.00 1.34 0.00 0.00 72.50 72.94 3k40 s THR 147 CO 0.87 -0.68 1.97 0.00 -0.54 0.00 0.00 174.62 176.24 3k40 h ALA 148 N 3.22 1.56 -0.55 3.99 0.00 -1.93 -1.68 119.26 123.87 3k40 h ALA 148 Ca -0.33 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.45 3k40 h ALA 148 Cb 1.18 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.81 3k40 h ALA 148 CO 0.55 0.33 0.33 0.77 0.00 0.00 0.00 179.25 181.23 3k40 h SER 149 N 0.43 0.66 -0.42 0.00 0.02 -1.95 0.08 113.55 112.36 3k40 h SER 149 Ca 0.10 -0.05 -0.09 0.00 -0.84 0.00 0.00 61.79 60.91 3k40 h SER 149 Cb 0.17 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.53 3k40 h SER 149 CO -0.00 0.52 -0.08 -0.08 -1.14 0.00 0.00 176.83 176.04 3k40 h GLU 150 N 0.74 0.80 -0.37 3.45 4.81 -1.91 -2.23 114.58 119.87 3k40 h GLU 150 Ca 0.20 -0.30 0.05 0.00 -0.13 0.00 0.00 59.36 59.18 3k40 h GLU 150 Cb -0.02 -0.05 -0.04 0.00 0.63 0.00 0.00 28.75 29.27 3k40 h GLU 150 CO -0.04 0.91 0.11 0.77 -0.73 0.00 0.00 179.01 180.03 3k40 h SER 151 N 0.62 0.09 -0.69 1.04 0.02 -0.83 0.40 113.55 114.20 3k40 h SER 151 Ca 0.11 0.05 0.01 0.00 -0.84 0.00 0.00 61.79 61.12 3k40 h SER 151 Cb 0.61 0.05 -0.04 0.00 0.14 0.00 0.00 62.40 63.16 3k40 h SER 151 CO 0.04 0.09 0.46 0.74 -1.14 0.00 0.00 176.83 177.01 3k40 h THR 152 N 0.25 1.17 -0.33 -2.27 2.02 -0.88 -1.46 112.91 111.41 3k40 h THR 152 Ca 0.17 -0.32 -0.01 0.00 0.77 0.00 0.00 66.41 67.02 3k40 h THR 152 Cb 0.17 0.16 -0.01 0.00 -1.74 0.00 0.00 68.15 66.72 3k40 h THR 152 CO -0.19 0.17 0.15 0.25 0.37 0.00 0.00 175.52 176.27 3k40 h LEU 153 N 0.93 0.44 -0.54 2.58 5.85 -1.04 -1.67 115.31 121.85 3k40 h LEU 153 Ca 0.26 -0.13 0.04 0.00 0.84 0.00 0.00 57.88 58.88 3k40 h LEU 153 Cb -0.09 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 40.78 3k40 h LEU 153 CO -0.06 0.45 0.30 0.58 -0.34 0.00 0.00 178.44 179.36 3k40 h VAL 154 N 0.39 0.99 -0.61 1.05 2.07 -0.67 0.19 116.25 119.67 3k40 h VAL 154 Ca 0.11 -0.20 -0.02 0.00 0.82 0.00 0.00 66.70 67.42 3k40 h VAL 154 Cb 0.13 0.37 -0.03 0.00 -1.52 0.00 0.00 31.29 30.24 3k40 h VAL 154 CO -0.01 0.10 0.30 0.00 0.02 0.00 0.00 177.57 177.98 3k40 h ALA 155 N 1.27 0.78 -0.24 1.67 0.00 -1.23 -0.85 119.26 120.66 3k40 h ALA 155 Ca 0.23 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 55.02 3k40 h ALA 155 Cb 0.10 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 3k40 h ALA 155 CO -0.14 0.34 0.14 1.25 0.00 0.00 0.00 179.25 180.84 3k40 h LEU 156 N 0.83 0.23 -0.81 0.00 6.46 -0.67 0.23 115.31 121.58 3k40 h LEU 156 Ca 0.21 0.00 -0.02 0.00 -0.12 0.00 0.00 57.88 57.95 3k40 h LEU 156 Cb 0.10 -0.05 -0.04 0.00 -0.73 0.00 0.00 40.66 39.95 3k40 h LEU 156 CO -0.03 0.17 0.44 -0.07 -0.62 0.00 0.00 178.44 178.33 3k40 h LEU 157 N 0.29 1.01 -0.34 2.25 3.38 -0.42 0.11 115.31 121.59 3k40 h LEU 157 Ca 0.09 -0.10 0.01 0.00 0.09 0.00 0.00 57.88 57.98 3k40 h LEU 157 Cb -0.00 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.47 3k40 h LEU 157 CO -0.04 0.82 0.20 1.23 0.09 0.00 0.00 178.44 180.74 3k40 h GLY 158 N 1.12 0.47 1.00 0.83 0.00 -0.91 -1.84 103.07 103.75 3k40 h GLY 158 Ca 0.28 -0.16 -0.02 0.00 0.00 0.00 0.00 47.33 47.44 3k40 h GLY 158 CO -0.04 0.14 0.35 0.00 0.00 0.00 0.00 176.54 176.99 3k40 h ALA 159 N 1.15 0.88 -0.03 3.60 0.00 -0.42 0.37 119.26 124.81 3k40 h ALA 159 Ca 0.13 -0.13 0.03 0.00 0.00 0.00 0.00 54.91 54.94 3k40 h ALA 159 Cb -0.01 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 17.47 3k40 h ALA 159 CO -0.06 0.42 -0.16 -0.22 0.00 0.00 0.00 179.25 179.23 3k40 h LYS 160 N 0.95 -0.24 -0.68 0.00 3.64 -0.72 0.79 116.57 120.29 3k40 h LYS 160 Ca 0.24 0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.63 3k40 h LYS 160 Cb 0.08 0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 31.92 3k40 h LYS 160 CO -0.03 -0.16 0.39 0.00 -2.27 0.00 0.00 179.45 177.38 3k40 h ALA 161 N 0.71 0.87 -0.02 5.00 0.00 -0.94 -0.92 119.26 123.96 3k40 h ALA 161 Ca 0.06 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 3k40 h ALA 161 Cb 0.33 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 3k40 h ALA 161 CO -0.18 0.37 0.01 -0.22 0.00 0.00 0.00 179.25 179.23 3k40 h LYS 162 N 0.93 0.04 0.18 0.00 3.64 -0.69 -1.97 116.57 118.70 3k40 h LYS 162 Ca 0.24 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.61 3k40 h LYS 162 Cb 0.01 -0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 31.82 3k40 h LYS 162 CO -0.04 0.20 -0.11 -0.22 -2.27 0.00 0.00 179.45 177.01 3k40 h LYS 163 N -0.14 -0.26 -0.81 1.90 1.63 -0.72 -1.87 116.57 116.30 3k40 h LYS 163 Ca 0.01 0.02 0.18 0.00 -0.85 0.00 0.00 60.65 60.00 3k40 h LYS 163 Cb 0.18 0.06 -0.11 0.00 -0.60 0.00 0.00 32.23 31.76 3k40 h LYS 163 CO -0.00 -0.18 0.30 1.25 -3.45 0.00 0.00 179.45 177.38 3k40 h LEU 164 N -0.27 0.22 -1.29 5.20 6.46 -1.15 0.23 115.31 124.71 3k40 h LEU 164 Ca -0.02 0.14 -0.06 0.00 -0.12 0.00 0.00 57.88 57.82 3k40 h LEU 164 Cb 0.23 0.14 -0.01 0.00 -0.73 0.00 0.00 40.66 40.29 3k40 h LEU 164 CO 0.02 0.03 -0.28 0.50 -0.62 0.00 0.00 178.44 178.08 3k40 h LYS 165 N 0.38 0.00 0.04 1.25 1.63 -1.05 -1.20 116.57 117.63 3k40 h LYS 165 Ca 0.47 0.00 -0.14 0.00 -0.85 0.00 0.00 60.65 60.13 3k40 h LYS 165 Cb 0.82 0.00 0.01 0.00 -0.60 0.00 0.00 32.23 32.46 3k40 h LYS 165 CO -0.49 0.28 -0.59 0.93 -3.45 0.00 0.00 179.45 176.13 3k40 h GLU 166 N 0.00 0.33 0.00 1.90 5.08 0.09 -3.33 114.58 118.64 3k40 h GLU 166 Ca -0.00 -0.41 -0.14 0.00 -1.00 0.00 0.00 59.36 57.81 3k40 h GLU 166 Cb 0.68 0.13 -0.02 0.00 0.50 0.00 0.00 28.75 30.04 3k40 h GLU 166 CO 0.04 1.12 -0.64 0.28 -1.00 0.00 0.00 179.01 178.80 3k40 h VAL 167 N -0.28 1.37 0.00 3.13 2.07 -0.57 -2.85 116.25 119.13 3k40 h VAL 167 Ca -0.09 -2.27 -0.04 0.00 0.82 0.00 0.00 66.70 65.13 3k40 h VAL 167 Cb 1.36 2.25 -0.01 0.00 -1.52 0.00 0.00 31.29 33.37 3k40 h VAL 167 CO 0.11 0.63 -0.17 0.11 0.02 0.00 0.00 177.57 178.27 3k40 h LYS 168 N 0.00 0.00 0.13 1.57 1.57 -1.37 -0.93 116.57 117.54 3k40 h LYS 168 Ca -0.01 0.00 -0.30 0.00 -1.87 0.00 0.00 60.65 58.47 3k40 h LYS 168 Cb 1.20 0.00 0.03 0.00 0.08 0.00 0.00 32.23 33.54 3k40 h LYS 168 CO 0.08 0.17 -1.27 0.93 -0.57 0.00 0.00 179.45 178.80 3k40 h GLU 169 N 0.00 0.61 0.00 3.15 5.08 -1.62 -2.78 114.58 119.02 3k40 h GLU 169 Ca -0.00 -0.83 0.00 0.00 -1.00 0.00 0.00 59.36 57.53 3k40 h GLU 169 Cb 0.31 0.28 0.00 0.00 0.50 0.00 0.00 28.75 29.84 3k40 h GLU 169 CO 0.02 1.38 -0.16 1.28 -1.00 0.00 0.00 179.01 180.54 3k40 n LEU 170 N -3.77 0.59 -3.14 1.33 4.77 -1.16 -4.28 117.00 111.34 3k40 n LEU 170 Ca -0.14 0.45 -0.17 0.00 -0.03 0.00 0.00 56.01 56.12 3k40 n LEU 170 Cb 1.00 -0.33 -0.02 0.00 -2.33 0.00 0.00 43.42 41.74 3k40 n LEU 170 CO 0.58 -0.10 -0.21 1.41 -1.33 0.00 0.00 177.39 177.75 3k40 n HIS 171 N -2.01 0.21 0.05 -1.77 8.25 -0.36 -4.96 115.22 114.62 3k40 n HIS 171 Ca 0.05 -3.71 0.03 0.00 -0.26 0.00 0.00 57.72 53.84 3k40 n HIS 171 Cb 0.41 -0.38 0.16 0.00 1.12 0.00 0.00 29.99 31.30 3k40 n HIS 171 CO 0.00 0.00 0.00 -2.30 0.64 0.00 0.00 176.34 174.68 3k40 n PRO 172 N 0.25 0.04 0.07 -0.41 -0.02 -1.05 -0.86 135.00 133.03 3k40 n PRO 172 Ca 0.23 0.51 0.12 0.00 -2.02 0.00 0.00 63.50 62.34 3k40 n PRO 172 Cb 0.67 -1.67 0.08 0.00 -0.02 0.00 0.00 33.50 32.56 3k40 n PRO 172 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 3k40 h GLU 173 N 0.00 0.00 -6.94 -0.52 9.09 -1.93 -3.47 114.58 110.81 3k40 h GLU 173 Ca 0.00 0.00 -0.48 0.00 0.05 0.00 0.00 59.36 58.93 3k40 h GLU 173 Cb 0.08 0.00 0.01 0.00 -1.65 0.00 0.00 28.75 27.19 3k40 h GLU 173 CO 0.00 0.00 0.40 -1.58 0.05 0.00 0.00 179.01 177.88 3k40 s TRP 174 N -3.25 3.39 0.58 2.06 0.52 -0.04 -5.04 118.94 117.17 3k40 s TRP 174 Ca 0.03 1.68 -0.20 0.00 0.02 0.00 0.00 56.10 57.63 3k40 s TRP 174 Cb 0.12 -3.08 -0.04 0.00 -1.15 0.00 0.00 33.47 29.33 3k40 s TRP 174 CO 0.76 -0.40 1.27 -0.51 0.02 0.00 0.00 176.95 178.10 3k40 s ASP 175 N -1.56 5.13 0.19 2.95 1.11 -1.26 -4.93 116.67 118.30 3k40 s ASP 175 Ca 0.55 2.56 -0.12 0.00 0.18 0.00 0.00 52.55 55.72 3k40 s ASP 175 Cb -0.21 -2.62 0.11 0.00 1.07 0.00 0.00 42.92 41.27 3k40 s ASP 175 CO 0.27 -1.65 1.84 -0.08 1.18 0.00 0.00 175.17 176.73 3k40 h GLU 176 N 1.05 0.89 -0.29 8.23 4.81 -1.96 -2.64 114.58 124.67 3k40 h GLU 176 Ca -0.51 -0.08 -0.06 0.00 -0.13 0.00 0.00 59.36 58.59 3k40 h GLU 176 Cb 1.31 -0.19 -0.02 0.00 0.63 0.00 0.00 28.75 30.48 3k40 h GLU 176 CO 0.56 0.63 -0.06 1.25 -0.73 0.00 0.00 179.01 180.65 3k40 h HIS 177 N 0.89 0.50 -0.25 0.92 2.76 -1.99 -1.78 115.15 116.19 3k40 h HIS 177 Ca 0.24 -0.06 -0.02 0.00 -2.20 0.00 0.00 60.37 58.33 3k40 h HIS 177 Cb -0.04 -0.14 -0.01 0.00 1.55 0.00 0.00 27.41 28.77 3k40 h HIS 177 CO -0.02 0.54 0.08 1.15 -1.30 0.00 0.00 177.93 178.38 3k40 h THR 178 N 0.45 1.19 0.05 6.26 2.02 -1.89 -2.66 112.91 118.32 3k40 h THR 178 Ca 0.09 -0.59 0.01 0.00 0.77 0.00 0.00 66.41 66.69 3k40 h THR 178 Cb 0.39 1.11 -0.01 0.00 -1.74 0.00 0.00 68.15 67.90 3k40 h THR 178 CO 0.02 0.19 -0.08 0.40 0.37 0.00 0.00 175.52 176.42 3k40 h ILE 179 N 0.24 0.80 -0.96 3.11 2.04 -1.20 -3.10 117.51 118.44 3k40 h ILE 179 Ca 0.08 0.00 0.07 0.00 1.00 0.00 0.00 64.86 66.01 3k40 h ILE 179 Cb 0.22 0.80 -0.06 0.00 -0.74 0.00 0.00 36.82 37.04 3k40 h ILE 179 CO -0.00 0.00 0.62 -0.07 0.00 0.00 0.00 178.15 178.70 3k40 h LEU 180 N -0.17 0.98 -0.65 1.44 3.38 -1.34 -1.38 115.31 117.58 3k40 h LEU 180 Ca 0.02 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.99 3k40 h LEU 180 Cb 0.18 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.73 3k40 h LEU 180 CO -0.05 0.63 0.00 0.61 0.09 0.00 0.00 178.44 179.72 3k40 n GLY 181 N -1.38 -1.33 0.08 0.83 0.00 -1.01 -2.55 105.19 99.83 3k40 n GLY 181 Ca 0.15 0.08 0.11 0.00 0.00 0.00 0.00 46.02 46.36 3k40 n GLY 181 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3k40 n LYS 182 N -2.27 0.53 -1.82 1.61 5.02 -0.53 -4.91 118.16 115.79 3k40 n LYS 182 Ca 0.02 0.05 -0.41 0.00 -2.02 0.00 0.00 58.31 55.95 3k40 n LYS 182 Cb 0.25 -1.73 -0.01 0.00 -0.02 0.00 0.00 35.03 33.52 3k40 n LYS 182 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3k40 s LEU 183 N -4.90 4.34 -0.04 -0.35 1.43 -1.06 -0.93 118.68 117.18 3k40 s LEU 183 Ca -0.00 2.96 -0.03 0.00 -1.03 0.00 0.00 54.13 56.03 3k40 s LEU 183 Cb 0.11 -3.65 0.02 0.00 0.03 0.00 0.00 46.19 42.70 3k40 s LEU 183 CO 0.80 -0.87 0.11 0.54 0.23 0.00 0.00 176.35 177.16 3k40 s VAL 184 N -0.50 -0.01 0.37 -1.59 0.11 -0.44 -2.16 120.40 116.18 3k40 s VAL 184 Ca 0.58 0.03 0.08 0.00 -2.93 0.00 0.00 61.98 59.75 3k40 s VAL 184 Cb -0.47 -0.16 -0.06 0.00 -1.53 0.00 0.00 36.38 34.16 3k40 s VAL 184 CO 0.54 0.01 -0.01 -0.83 -3.33 0.00 0.00 175.10 171.48 3k40 s GLY 185 N 0.26 2.26 0.03 6.54 0.00 0.19 -1.59 107.32 115.02 3k40 s GLY 185 Ca -0.02 -2.12 0.03 0.00 0.00 0.00 0.00 44.72 42.61 3k40 s GLY 185 CO -0.01 -2.01 -0.09 -0.19 0.00 0.00 0.00 173.10 170.81 3k40 s TYR 186 N -2.61 0.78 0.21 1.90 2.02 -0.38 0.34 117.35 119.61 3k40 s TYR 186 Ca 0.35 -0.37 -0.16 0.00 -0.37 0.00 0.00 57.07 56.52 3k40 s TYR 186 Cb 0.04 -0.47 0.02 0.00 -0.40 0.00 0.00 41.96 41.15 3k40 s TYR 186 CO 0.18 -0.03 0.51 0.00 -1.57 0.00 0.00 175.55 174.64 3k40 s SER 188 N -2.91 5.26 0.32 0.00 0.15 -1.26 -0.42 113.70 114.84 3k40 s SER 188 Ca 0.13 2.16 0.22 0.00 0.70 0.00 0.00 55.95 59.16 3k40 s SER 188 Cb -0.01 -2.57 1.17 0.00 -1.71 0.00 0.00 66.02 62.90 3k40 s SER 188 CO 0.01 -1.54 1.67 -0.90 1.20 0.00 0.00 173.24 173.68 3k40 n ASP 189 N -1.90 0.57 -1.17 5.45 3.85 -0.41 -1.03 116.55 121.91 3k40 n ASP 189 Ca 0.12 0.76 0.12 0.00 -0.71 0.00 0.00 54.79 55.07 3k40 n ASP 189 Cb 0.51 -0.84 0.23 0.00 -1.35 0.00 0.00 41.12 39.68 3k40 n ASP 189 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3k40 n GLN 190 N -2.26 2.52 -1.17 0.11 1.13 -1.26 -5.00 117.38 111.44 3k40 n GLN 190 Ca -0.01 -2.30 -0.31 0.00 -1.94 0.00 0.00 57.00 52.43 3k40 n GLN 190 Cb 0.05 -1.52 0.11 0.00 0.11 0.00 0.00 30.24 28.98 3k40 n GLN 190 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3k40 s ALA 191 N -1.45 2.06 0.51 -1.58 0.00 -0.20 -4.39 121.76 116.72 3k40 s ALA 191 Ca 0.40 0.42 -0.19 0.00 0.00 0.00 0.00 51.96 52.58 3k40 s ALA 191 Cb 0.23 -3.34 -0.07 0.00 0.00 0.00 0.00 23.12 19.94 3k40 s ALA 191 CO 0.32 -1.99 1.06 -1.58 0.00 0.00 0.00 175.76 173.57 3k40 s HIS 192 N -2.73 2.93 0.66 0.00 2.46 -1.26 -4.90 115.29 112.46 3k40 s HIS 192 Ca 0.64 1.56 0.26 0.00 0.47 0.00 0.00 55.06 57.99 3k40 s HIS 192 Cb -0.20 -3.10 1.41 0.00 -0.13 0.00 0.00 32.58 30.57 3k40 s HIS 192 CO 0.54 -1.01 1.80 0.66 -2.47 0.00 0.00 174.74 174.26 3k40 h SER 193 N 1.32 0.00 0.26 9.88 4.64 -2.00 -0.76 113.55 126.89 3k40 h SER 193 Ca -0.49 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 60.81 3k40 h SER 193 Cb 1.23 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.32 3k40 h SER 193 CO 0.58 0.00 -0.08 0.77 -0.87 0.00 0.00 176.83 177.24 3k40 h SER 194 N 0.00 0.00 -0.12 4.97 4.64 -1.97 -1.53 113.55 119.54 3k40 h SER 194 Ca 0.01 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.27 3k40 h SER 194 Cb 0.87 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.96 3k40 h SER 194 CO -0.00 0.08 -0.17 0.58 -0.87 0.00 0.00 176.83 176.44 3k40 h VAL 195 N 0.00 1.37 -0.51 0.95 2.07 -1.49 -1.20 116.25 117.44 3k40 h VAL 195 Ca -0.00 -1.39 0.08 0.00 0.82 0.00 0.00 66.70 66.21 3k40 h VAL 195 Cb 0.23 1.99 -0.07 0.00 -1.52 0.00 0.00 31.29 31.92 3k40 h VAL 195 CO 0.01 0.41 0.12 -0.08 0.02 0.00 0.00 177.57 178.04 3k40 h GLU 196 N -0.07 0.25 -0.46 1.57 4.81 -1.55 -0.63 114.58 118.50 3k40 h GLU 196 Ca 0.01 -0.02 0.05 0.00 -0.13 0.00 0.00 59.36 59.27 3k40 h GLU 196 Cb 0.73 -0.06 -0.04 0.00 0.63 0.00 0.00 28.75 30.01 3k40 h GLU 196 CO 0.04 0.17 0.21 -0.09 -0.73 0.00 0.00 179.01 178.61 3k40 h ARG 197 N 0.26 0.41 -0.90 1.92 2.43 -1.28 -0.29 114.38 116.93 3k40 h ARG 197 Ca 0.25 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.40 3k40 h ARG 197 Cb 0.33 -0.09 -0.04 0.00 -0.42 0.00 0.00 29.97 29.75 3k40 h ARG 197 CO -0.32 0.27 0.58 0.00 -1.51 0.00 0.00 179.97 178.99 3k40 h ALA 198 N 1.27 1.33 -0.09 2.80 0.00 -0.56 0.55 119.26 124.54 3k40 h ALA 198 Ca 0.21 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 3k40 h ALA 198 Cb 0.15 -0.36 -0.00 0.00 0.00 0.00 0.00 17.79 17.57 3k40 h ALA 198 CO -0.17 0.61 0.03 0.78 0.00 0.00 0.00 179.25 180.50 3k40 h GLY 199 N 1.23 0.16 0.81 0.00 0.00 -0.39 0.36 103.07 105.24 3k40 h GLY 199 Ca 0.33 -0.10 -0.00 0.00 0.00 0.00 0.00 47.33 47.56 3k40 h GLY 199 CO -0.07 0.09 -0.23 -2.00 0.00 0.00 0.00 176.54 174.33 3k40 h LEU 200 N -0.05 -0.60 -1.21 3.11 5.85 -0.87 -0.81 115.31 120.74 3k40 h LEU 200 Ca 0.03 0.05 -0.05 0.00 0.84 0.00 0.00 57.88 58.74 3k40 h LEU 200 Cb 0.23 0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.45 3k40 h LEU 200 CO -0.00 -0.35 -0.26 -0.07 -0.34 0.00 0.00 178.44 177.42 3k40 h LEU 201 N -0.53 0.00 0.00 2.25 3.38 -0.90 -2.62 115.31 116.89 3k40 h LEU 201 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 3k40 h LEU 201 Cb 0.47 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.22 3k40 h LEU 201 CO -0.01 0.26 -0.27 0.61 0.09 0.00 0.00 178.44 179.13 3k40 n GLY 202 N 0.00 -1.37 2.70 0.83 0.00 0.13 -4.96 105.19 102.52 3k40 n GLY 202 Ca -0.00 -0.23 -0.13 0.00 0.00 0.00 0.00 46.02 45.65 3k40 n GLY 202 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k40 n GLY 203 N 1.49 -0.01 3.23 -0.02 0.00 -0.37 -5.02 105.19 104.49 3k40 n GLY 203 Ca 0.06 -0.10 -0.13 0.00 0.00 0.00 0.00 46.02 45.85 3k40 n GLY 203 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3k40 s VAL 204 N -3.21 0.76 0.40 1.61 -7.23 -0.84 -4.87 120.40 107.03 3k40 s VAL 204 Ca 0.23 -1.98 -0.24 0.00 -1.81 0.00 0.00 61.98 58.18 3k40 s VAL 204 Cb -0.10 -1.99 -0.09 0.00 0.56 0.00 0.00 36.38 34.76 3k40 s VAL 204 CO 0.45 -0.60 1.03 -0.54 -0.31 0.00 0.00 175.10 175.14 3k40 s LYS 205 N -3.87 4.17 -0.06 4.82 1.02 -0.92 -4.56 119.74 120.35 3k40 s LYS 205 Ca 0.20 1.45 0.02 0.00 0.02 0.00 0.00 55.97 57.66 3k40 s LYS 205 Cb 0.05 -2.49 0.01 0.00 -0.52 0.00 0.00 37.83 34.89 3k40 s LYS 205 CO 0.02 -0.13 -0.10 -1.17 -0.92 0.00 0.00 175.35 173.05 3k40 s LEU 206 N -2.72 1.57 -0.16 3.17 2.96 -1.26 -0.63 118.68 121.60 3k40 s LEU 206 Ca 0.58 -0.25 -0.05 0.00 -0.22 0.00 0.00 54.13 54.20 3k40 s LEU 206 Cb -0.20 -0.71 -0.03 0.00 0.50 0.00 0.00 46.19 45.75 3k40 s LEU 206 CO 0.25 0.01 -0.01 -0.13 -1.32 0.00 0.00 176.35 175.16 3k40 s ARG 207 N 0.69 3.77 -0.32 1.98 1.81 0.15 -4.94 118.95 122.08 3k40 s ARG 207 Ca -0.13 -0.46 -0.21 0.00 -1.72 0.00 0.00 55.73 53.20 3k40 s ARG 207 Cb -0.15 -3.01 -0.00 0.00 -0.45 0.00 0.00 34.95 31.34 3k40 s ARG 207 CO 0.03 0.25 0.69 0.45 -0.68 0.00 0.00 175.30 176.04 3k40 s SER 208 N 0.37 6.53 -0.17 0.23 0.15 -1.26 -1.72 113.70 117.82 3k40 s SER 208 Ca -0.02 0.42 -0.18 0.00 0.70 0.00 0.00 55.95 56.86 3k40 s SER 208 Cb -0.14 -2.36 -0.04 0.00 -1.71 0.00 0.00 66.02 61.78 3k40 s SER 208 CO 0.02 -0.57 0.51 -0.69 1.20 0.00 0.00 173.24 173.71 3k40 s VAL 209 N 2.78 5.13 0.01 4.45 1.01 0.44 -4.79 120.40 129.43 3k40 s VAL 209 Ca 0.28 0.97 -0.32 0.00 0.00 0.00 0.00 61.98 62.90 3k40 s VAL 209 Cb -0.14 -3.84 -0.10 0.00 0.00 0.00 0.00 36.38 32.29 3k40 s VAL 209 CO 0.13 0.23 1.91 1.67 0.00 0.00 0.00 175.10 179.05 3k40 n GLN 210 N 4.35 2.59 -2.20 2.72 -0.06 -1.26 -1.28 117.38 122.24 3k40 n GLN 210 Ca -0.05 0.95 -0.28 0.00 -2.00 0.00 0.00 57.00 55.61 3k40 n GLN 210 Cb 0.51 -2.85 0.03 0.00 -4.06 0.00 0.00 30.24 23.87 3k40 n GLN 210 CO 0.00 0.00 0.00 -1.54 -0.20 0.00 0.00 177.06 175.32 3k40 s SER 211 N 3.98 5.70 -0.11 1.69 1.04 -1.26 -4.75 113.70 119.99 3k40 s SER 211 Ca 0.89 0.95 0.01 0.00 0.48 0.00 0.00 55.95 58.28 3k40 s SER 211 Cb -0.54 -1.93 0.02 0.00 0.10 0.00 0.00 66.02 63.67 3k40 s SER 211 CO 0.45 -1.07 -0.12 -0.70 0.98 0.00 0.00 173.24 172.78 3k40 s GLU 212 N -5.10 1.93 -1.46 4.02 2.12 0.69 -4.69 118.70 116.21 3k40 s GLU 212 Ca 0.55 -0.44 -0.07 0.00 0.36 0.00 0.00 54.97 55.37 3k40 s GLU 212 Cb -0.11 -1.77 0.05 0.00 0.26 0.00 0.00 34.13 32.56 3k40 s GLU 212 CO 0.48 -0.16 0.75 0.09 -0.54 0.00 0.00 175.26 175.88 3k40 n ASN 213 N 4.53 -2.53 -0.11 -1.70 5.03 -1.26 -1.79 115.26 117.43 3k40 n ASN 213 Ca -0.17 -0.87 -0.01 0.00 0.87 0.00 0.00 54.58 54.39 3k40 n ASN 213 Cb 0.51 -3.60 -0.01 0.00 -1.02 0.00 0.00 39.78 35.66 3k40 n ASN 213 CO 0.00 0.00 0.00 1.41 -1.83 0.00 0.00 177.26 176.84 3k40 n HIS 214 N -4.46 0.00 -4.82 3.10 8.25 -1.26 -4.98 115.22 111.04 3k40 n HIS 214 Ca -0.13 0.00 -0.26 0.00 -0.26 0.00 0.00 57.72 57.06 3k40 n HIS 214 Cb 0.60 -1.38 -0.16 0.00 1.12 0.00 0.00 29.99 30.17 3k40 n HIS 214 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 3k40 s ARG 215 N -1.46 1.89 -0.15 -0.41 0.52 -0.74 -4.66 118.95 113.96 3k40 s ARG 215 Ca 0.00 -0.60 -0.26 0.00 -0.52 0.00 0.00 55.73 54.35 3k40 s ARG 215 Cb 0.00 -1.59 -0.02 0.00 0.52 0.00 0.00 34.95 33.86 3k40 s ARG 215 CO 0.00 0.20 0.85 1.41 0.02 0.00 0.00 175.30 177.78 3k40 s MET 216 N 0.19 4.34 0.24 3.54 -2.45 -1.26 -0.22 119.30 123.67 3k40 s MET 216 Ca -0.07 1.08 -0.09 0.00 -1.25 0.00 0.00 55.69 55.35 3k40 s MET 216 Cb -0.13 -3.55 -0.07 0.00 1.25 0.00 0.00 34.83 32.33 3k40 s MET 216 CO 0.03 -0.29 0.55 1.03 1.05 0.00 0.00 175.02 177.40 3k40 s ARG 217 N 1.98 3.77 0.26 4.11 1.81 -1.26 -1.54 118.95 128.09 3k40 s ARG 217 Ca 0.40 0.24 -0.01 0.00 -1.72 0.00 0.00 55.73 54.64 3k40 s ARG 217 Cb -0.17 -2.64 0.54 0.00 -0.45 0.00 0.00 34.95 32.23 3k40 s ARG 217 CO 0.14 0.29 1.75 0.78 -0.68 0.00 0.00 175.30 177.58 3k40 h GLY 218 N 2.38 1.35 1.36 -3.53 0.00 -1.82 -2.19 103.07 100.62 3k40 h GLY 218 Ca -0.47 -0.22 -0.06 0.00 0.00 0.00 0.00 47.33 46.58 3k40 h GLY 218 CO 0.69 -0.08 0.04 0.00 0.00 0.00 0.00 176.54 177.19 3k40 h ALA 219 N 1.58 1.16 -0.36 3.60 0.00 -1.94 0.29 119.26 123.59 3k40 h ALA 219 Ca 0.47 -0.24 -0.17 0.00 0.00 0.00 0.00 54.91 54.97 3k40 h ALA 219 Cb 0.70 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 3k40 h ALA 219 CO -0.39 0.55 -0.43 0.00 0.00 0.00 0.00 179.25 178.98 3k40 h ALA 220 N 1.31 0.53 -0.36 0.00 0.00 -1.78 -0.36 119.26 118.59 3k40 h ALA 220 Ca 0.15 -0.47 -0.03 0.00 0.00 0.00 0.00 54.91 54.57 3k40 h ALA 220 Cb 0.39 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 3k40 h ALA 220 CO 0.01 0.67 0.13 1.25 0.00 0.00 0.00 179.25 181.31 3k40 h LEU 221 N 0.73 0.52 -0.45 0.00 5.85 -1.06 -2.27 115.31 118.63 3k40 h LEU 221 Ca 0.05 -0.19 -0.03 0.00 0.84 0.00 0.00 57.88 58.55 3k40 h LEU 221 Cb 1.03 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.90 3k40 h LEU 221 CO 0.10 0.57 0.18 -0.08 -0.34 0.00 0.00 178.44 178.87 3k40 h GLU 222 N 0.44 0.67 -0.72 1.25 4.81 -0.79 -1.09 114.58 119.16 3k40 h GLU 222 Ca 0.12 -0.12 0.07 0.00 -0.13 0.00 0.00 59.36 59.30 3k40 h GLU 222 Cb 0.22 -0.11 -0.06 0.00 0.63 0.00 0.00 28.75 29.43 3k40 h GLU 222 CO -0.01 0.61 0.40 -0.22 -0.73 0.00 0.00 179.01 179.07 3k40 h LYS 223 N 0.58 0.70 -0.39 1.92 3.64 -1.02 0.53 116.57 122.53 3k40 h LYS 223 Ca 0.15 -0.04 -0.14 0.00 -1.27 0.00 0.00 60.65 59.35 3k40 h LYS 223 Cb 0.19 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 31.84 3k40 h LYS 223 CO -0.01 0.46 -0.31 0.00 -2.27 0.00 0.00 179.45 177.32 3k40 h ALA 224 N 1.38 0.70 0.56 5.00 0.00 -1.01 -2.09 119.26 123.81 3k40 h ALA 224 Ca 0.33 -0.42 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 3k40 h ALA 224 Cb 0.24 -0.14 0.01 0.00 0.00 0.00 0.00 17.79 17.89 3k40 h ALA 224 CO -0.20 0.67 -0.27 0.82 0.00 0.00 0.00 179.25 180.26 3k40 h ILE 225 N 0.73 0.44 -0.61 0.00 2.04 -0.78 -2.53 117.51 116.81 3k40 h ILE 225 Ca 0.08 -0.04 0.03 0.00 1.00 0.00 0.00 64.86 65.93 3k40 h ILE 225 Cb 0.88 0.46 -0.04 0.00 -0.74 0.00 0.00 36.82 37.37 3k40 h ILE 225 CO 0.08 0.01 0.36 -0.33 0.00 0.00 0.00 178.15 178.27 3k40 h GLU 226 N -0.78 0.69 -0.84 2.37 5.08 -0.90 -0.36 114.58 119.82 3k40 h GLU 226 Ca -0.08 -0.04 0.18 0.00 -1.00 0.00 0.00 59.36 58.42 3k40 h GLU 226 Cb 0.59 -0.16 -0.11 0.00 0.50 0.00 0.00 28.75 29.58 3k40 h GLU 226 CO 0.13 0.45 0.36 1.96 -1.00 0.00 0.00 179.01 180.91 3k40 h GLN 227 N 0.71 0.43 -0.09 2.33 4.20 -1.34 -0.96 115.11 120.39 3k40 h GLN 227 Ca 0.25 -0.03 -0.10 0.00 0.06 0.00 0.00 58.65 58.84 3k40 h GLN 227 Cb 0.06 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 27.75 3k40 h GLN 227 CO -0.12 0.29 -0.32 -0.44 -0.67 0.00 0.00 178.83 177.57 3k40 h ASP 228 N 0.45 0.43 -1.00 1.46 3.32 -0.65 -3.00 116.42 117.43 3k40 h ASP 228 Ca 0.49 -0.62 0.14 0.00 0.02 0.00 0.00 57.03 57.07 3k40 h ASP 228 Cb 0.84 -0.13 -0.09 0.00 0.22 0.00 0.00 39.33 40.17 3k40 h ASP 228 CO -0.47 0.98 0.62 0.58 -1.72 0.00 0.00 179.24 179.23 3k40 h VAL 229 N -0.09 0.84 0.00 -1.35 2.07 -1.14 -0.22 116.25 116.36 3k40 h VAL 229 Ca -0.01 -0.31 -0.00 0.00 0.82 0.00 0.00 66.70 67.20 3k40 h VAL 229 Cb 0.95 -0.14 -0.00 0.00 -1.52 0.00 0.00 31.29 30.58 3k40 h VAL 229 CO 0.07 0.16 -0.00 0.00 0.02 0.00 0.00 177.57 177.82 3k40 h ALA 230 N 1.57 1.03 -0.46 1.67 0.00 -1.04 -0.03 119.26 122.01 3k40 h ALA 230 Ca 0.52 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.43 3k40 h ALA 230 Cb 0.63 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.42 3k40 h ALA 230 CO -0.31 0.00 0.00 0.39 0.00 0.00 0.00 179.25 179.33 3k40 n GLU 231 N -3.13 3.65 -1.24 0.00 1.02 -0.19 -4.95 120.64 115.80 3k40 n GLU 231 Ca -0.03 -2.84 -0.07 0.00 -0.02 0.00 0.00 57.16 54.20 3k40 n GLU 231 Cb 0.07 -1.89 -0.03 0.00 -0.02 0.00 0.00 31.44 29.58 3k40 n GLU 231 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3k40 n GLY 232 N 0.38 0.87 3.92 0.62 0.00 -0.02 -5.04 105.19 105.92 3k40 n GLY 232 Ca 0.23 -0.74 -0.26 0.00 0.00 0.00 0.00 46.02 45.25 3k40 n GLY 232 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3k40 s LEU 233 N -1.57 3.27 -0.34 0.99 1.43 -0.66 -4.97 118.68 116.82 3k40 s LEU 233 Ca 0.00 0.71 0.04 0.00 -1.03 0.00 0.00 54.13 53.84 3k40 s LEU 233 Cb 0.00 -3.54 0.10 0.00 0.03 0.00 0.00 46.19 42.78 3k40 s LEU 233 CO 0.00 -1.03 0.06 -0.63 0.23 0.00 0.00 176.35 174.98 3k40 s ILE 234 N -2.96 2.19 0.33 -0.59 1.01 -0.10 -4.09 121.20 116.98 3k40 s ILE 234 Ca 0.53 -2.32 -0.29 0.00 0.00 0.00 0.00 60.65 58.58 3k40 s ILE 234 Cb -0.10 -2.62 -0.11 0.00 0.01 0.00 0.00 42.46 39.64 3k40 s ILE 234 CO 0.45 -0.61 1.48 -2.84 0.00 0.00 0.00 174.94 173.42 3k40 s PRO 235 N 0.91 4.17 0.00 2.79 0.02 -1.26 -1.33 135.00 140.30 3k40 s PRO 235 Ca 0.11 2.49 0.00 0.00 0.02 0.00 0.00 61.00 63.62 3k40 s PRO 235 Cb -0.19 -3.01 0.00 0.00 0.02 0.00 0.00 34.50 31.31 3k40 s PRO 235 CO -0.09 -0.49 0.00 1.97 -0.33 0.00 0.00 177.00 178.06 3k40 n PHE 236 N 1.18 0.00 -3.69 6.54 -1.74 -0.62 -4.73 117.46 114.40 3k40 n PHE 236 Ca 0.03 0.00 -0.12 0.00 -0.56 0.00 0.00 57.45 56.80 3k40 n PHE 236 Cb 0.39 0.00 -0.09 0.00 1.52 0.00 0.00 39.48 41.30 3k40 n PHE 236 CO 0.00 0.00 0.00 -0.47 -0.56 0.00 0.00 176.76 175.73 3k40 s TYR 237 N 0.00 -0.65 -0.00 2.97 5.04 -1.26 -0.89 117.35 122.56 3k40 s TYR 237 Ca 0.00 1.48 -0.02 0.00 -2.44 0.00 0.00 57.07 56.09 3k40 s TYR 237 Cb 0.00 0.27 -0.00 0.00 0.35 0.00 0.00 41.96 42.58 3k40 s TYR 237 CO 0.00 -0.33 0.03 0.00 -1.34 0.00 0.00 175.55 173.92 3k40 s ALA 238 N 0.70 -0.07 -0.25 3.97 0.00 -0.20 -1.25 121.76 124.67 3k40 s ALA 238 Ca -0.03 -0.14 -0.09 0.00 0.00 0.00 0.00 51.96 51.69 3k40 s ALA 238 Cb -0.05 0.02 -0.04 0.00 0.00 0.00 0.00 23.12 23.05 3k40 s ALA 238 CO -0.05 -0.09 0.12 0.08 0.00 0.00 0.00 175.76 175.82 3k40 s VAL 239 N -0.66 4.88 -0.26 0.00 1.01 -0.26 -1.28 120.40 123.82 3k40 s VAL 239 Ca -0.07 0.02 -0.09 0.00 0.00 0.00 0.00 61.98 61.83 3k40 s VAL 239 Cb -0.05 -3.28 -0.04 0.00 0.00 0.00 0.00 36.38 33.02 3k40 s VAL 239 CO -0.00 0.33 0.12 -0.69 0.00 0.00 0.00 175.10 174.86 3k40 s VAL 240 N 1.36 4.77 -0.26 2.92 1.01 -0.51 -4.12 120.40 125.57 3k40 s VAL 240 Ca 0.06 -0.01 -0.11 0.00 0.00 0.00 0.00 61.98 61.92 3k40 s VAL 240 Cb -0.15 -3.25 -0.05 0.00 0.00 0.00 0.00 36.38 32.93 3k40 s VAL 240 CO 0.06 0.30 0.17 -0.89 0.00 0.00 0.00 175.10 174.74 3k40 s THR 241 N 1.64 5.27 -0.67 3.92 2.01 -1.26 -1.34 115.64 125.22 3k40 s THR 241 Ca 0.07 0.15 -0.07 0.00 0.31 0.00 0.00 61.69 62.15 3k40 s THR 241 Cb -0.15 -3.49 0.17 0.00 0.01 0.00 0.00 72.50 69.04 3k40 s THR 241 CO 0.07 0.29 0.53 -0.76 -0.69 0.00 0.00 174.62 174.06 3k40 s LEU 242 N 1.51 5.80 0.00 4.42 1.43 -0.21 -0.75 118.68 130.88 3k40 s LEU 242 Ca 0.07 -2.66 0.00 0.00 -1.03 0.00 0.00 54.13 50.51 3k40 s LEU 242 Cb -0.15 -1.99 0.00 0.00 0.03 0.00 0.00 46.19 44.08 3k40 s LEU 242 CO 0.08 -0.48 0.00 0.61 0.23 0.00 0.00 176.35 176.79 3k40 n GLY 243 N 3.86 0.76 3.68 -3.19 0.00 -0.08 -4.19 105.19 106.03 3k40 n GLY 243 Ca 0.07 -0.72 -0.36 0.00 0.00 0.00 0.00 46.02 45.01 3k40 n GLY 243 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3k40 n THR 244 N 0.00 3.80 -0.12 2.61 -2.24 0.07 -4.67 114.28 113.73 3k40 n THR 244 Ca 0.00 -0.42 -0.05 0.00 -2.27 0.00 0.00 64.05 61.31 3k40 n THR 244 Cb 0.00 -1.29 0.14 0.00 -2.10 0.00 0.00 70.33 67.07 3k40 n THR 244 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 3k40 h THR 245 N 0.09 1.25 -0.11 4.28 1.35 -1.93 0.11 112.91 117.95 3k40 h THR 245 Ca -0.49 -1.05 -0.01 0.00 -0.55 0.00 0.00 66.41 64.30 3k40 h THR 245 Cb 1.34 0.90 -0.00 0.00 -1.73 0.00 0.00 68.15 68.66 3k40 h THR 245 CO 0.50 0.37 0.02 0.78 -0.25 0.00 0.00 175.52 176.94 3k40 h ASN 246 N 0.76 0.17 0.00 5.36 2.35 -1.92 -3.40 115.58 118.90 3k40 h ASN 246 Ca 0.14 -0.24 0.00 0.00 -0.55 0.00 0.00 56.30 55.65 3k40 h ASN 246 Cb 0.49 -0.05 0.00 0.00 0.05 0.00 0.00 38.32 38.82 3k40 h ASN 246 CO 0.02 0.37 0.00 -1.54 -1.65 0.00 0.00 177.43 174.64 3k40 n SER 247 N -4.85 0.11 -3.62 5.81 3.41 -1.23 -4.96 113.62 108.28 3k40 n SER 247 Ca -0.06 -1.03 -0.22 0.00 -0.26 0.00 0.00 58.87 57.30 3k40 n SER 247 Cb 0.16 0.00 0.06 0.00 -0.26 0.00 0.00 64.21 64.17 3k40 n SER 247 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3k40 s ALA 249 N -3.45 3.16 -0.20 0.00 0.00 -1.26 -4.53 121.76 115.49 3k40 s ALA 249 Ca 0.21 -0.50 0.01 0.00 0.00 0.00 0.00 51.96 51.68 3k40 s ALA 249 Cb -0.10 -2.78 0.04 0.00 0.00 0.00 0.00 23.12 20.28 3k40 s ALA 249 CO 0.77 -0.85 -0.13 -0.06 0.00 0.00 0.00 175.76 175.49 3k40 s PHE 250 N -3.10 2.63 0.70 0.00 0.40 -1.26 -0.75 117.98 116.59 3k40 s PHE 250 Ca 0.55 -1.69 -0.16 0.00 -0.60 0.00 0.00 56.93 55.02 3k40 s PHE 250 Cb -0.11 -1.75 -0.00 0.00 0.51 0.00 0.00 43.02 41.67 3k40 s PHE 250 CO 0.48 -0.78 1.04 -0.25 0.70 0.00 0.00 175.22 176.41 3k40 n ASP 251 N 4.63 0.82 -4.57 1.36 8.00 0.07 -4.66 116.55 122.22 3k40 n ASP 251 Ca -0.16 0.71 -0.42 0.00 0.71 0.00 0.00 54.79 55.62 3k40 n ASP 251 Cb 0.47 -1.44 -0.01 0.00 -0.02 0.00 0.00 41.12 40.12 3k40 n ASP 251 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 3k40 s TYR 252 N -1.71 2.72 0.38 1.24 1.51 -0.59 -4.77 117.35 116.13 3k40 s TYR 252 Ca 0.75 -1.34 0.08 0.00 -1.01 0.00 0.00 57.07 55.55 3k40 s TYR 252 Cb -0.36 -4.71 0.76 0.00 -0.11 0.00 0.00 41.96 37.54 3k40 s TYR 252 CO 0.48 -1.84 1.93 1.25 -1.11 0.00 0.00 175.55 176.26 3k40 h LEU 253 N 12.51 0.33 -1.94 -1.29 5.85 -1.88 0.14 115.31 129.03 3k40 h LEU 253 Ca 0.34 -0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.99 3k40 h LEU 253 Cb 0.93 -0.09 -0.00 0.00 0.37 0.00 0.00 40.66 41.87 3k40 h LEU 253 CO 1.43 0.42 -0.06 -2.24 -0.34 0.00 0.00 178.44 177.65 3k40 h ASP 254 N 0.34 0.00 0.03 1.25 2.03 -1.78 -1.17 116.42 117.13 3k40 h ASP 254 Ca 0.08 0.00 -0.28 0.00 -0.73 0.00 0.00 57.03 56.10 3k40 h ASP 254 Cb 0.29 0.00 -0.03 0.00 -0.83 0.00 0.00 39.33 38.76 3k40 h ASP 254 CO 0.01 0.06 -1.52 -0.62 -1.03 0.00 0.00 179.24 176.15 3k40 n GLU 255 N -4.35 0.62 -0.05 4.15 1.02 -0.56 -4.48 120.64 116.99 3k40 n GLU 255 Ca -0.03 0.48 -0.10 0.00 -0.02 0.00 0.00 57.16 57.49 3k40 n GLU 255 Cb 0.15 -1.73 0.04 0.00 -0.02 0.00 0.00 31.44 29.88 3k40 n GLU 255 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3k40 h GLY 257 N 0.93 -1.11 1.11 0.00 0.00 -1.43 -0.42 103.07 102.15 3k40 h GLY 257 Ca 0.04 0.50 0.08 0.00 0.00 0.00 0.00 47.33 47.95 3k40 h GLY 257 CO 0.09 -0.35 0.40 -2.55 0.00 0.00 0.00 176.54 174.13 3k40 h PRO 258 N -0.77 0.47 -0.26 4.80 0.11 -1.78 0.22 132.00 134.78 3k40 h PRO 258 Ca -0.05 -0.03 0.03 0.00 0.11 0.00 0.00 66.00 66.06 3k40 h PRO 258 Cb 0.66 -0.11 -0.03 0.00 0.11 0.00 0.00 31.00 31.63 3k40 h PRO 258 CO -0.02 0.31 0.06 0.28 -0.21 0.00 0.00 178.00 178.42 3k40 h VAL 259 N 0.49 0.90 -0.36 3.15 2.07 -1.26 0.23 116.25 121.46 3k40 h VAL 259 Ca 0.27 -0.06 -0.02 0.00 0.82 0.00 0.00 66.70 67.71 3k40 h VAL 259 Cb 0.42 0.71 -0.02 0.00 -1.52 0.00 0.00 31.29 30.88 3k40 h VAL 259 CO -0.08 0.03 0.14 1.23 0.02 0.00 0.00 177.57 178.91 3k40 h GLY 260 N 0.17 0.58 0.36 2.17 0.00 0.76 -2.48 103.07 104.63 3k40 h GLY 260 Ca 0.12 -0.32 0.05 0.00 0.00 0.00 0.00 47.33 47.18 3k40 h GLY 260 CO -0.15 0.30 -0.14 3.43 0.00 0.00 0.00 176.54 179.98 3k40 h ASN 261 N 0.43 -0.47 -0.71 0.19 2.35 -0.41 0.12 115.58 117.08 3k40 h ASN 261 Ca 0.12 0.10 0.05 0.00 -0.55 0.00 0.00 56.30 56.02 3k40 h ASN 261 Cb 0.20 0.24 -0.05 0.00 0.05 0.00 0.00 38.32 38.76 3k40 h ASN 261 CO -0.01 -0.18 0.43 0.50 -1.65 0.00 0.00 177.43 176.52 3k40 h LYS 262 N -0.13 0.78 -0.62 0.81 3.64 -0.35 -2.64 116.57 118.07 3k40 h LYS 262 Ca 0.13 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.46 3k40 h LYS 262 Cb 0.32 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 31.97 3k40 h LYS 262 CO -0.30 0.52 0.00 0.72 -2.27 0.00 0.00 179.45 178.11 3k40 n HIS 263 N -4.71 0.96 -3.61 1.91 8.25 -0.95 -4.97 115.22 112.11 3k40 n HIS 263 Ca 0.09 -0.44 -0.26 0.00 -0.26 0.00 0.00 57.72 56.84 3k40 n HIS 263 Cb 0.14 -0.07 0.04 0.00 1.12 0.00 0.00 29.99 31.22 3k40 n HIS 263 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 3k40 n ASN 264 N 1.16 -4.72 -4.49 0.41 3.02 -0.52 -4.95 115.26 105.18 3k40 n ASN 264 Ca 0.21 -0.93 -0.33 0.00 -0.03 0.00 0.00 54.58 53.50 3k40 n ASN 264 Cb 0.60 -3.83 -0.13 0.00 -0.61 0.00 0.00 39.78 35.82 3k40 n ASN 264 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3k40 s LEU 265 N -6.31 2.99 0.14 3.41 1.02 0.30 -4.66 118.68 115.57 3k40 s LEU 265 Ca 0.38 -0.15 -0.31 0.00 0.02 0.00 0.00 54.13 54.06 3k40 s LEU 265 Cb -0.11 -1.67 -0.10 0.00 0.02 0.00 0.00 46.19 44.33 3k40 s LEU 265 CO 0.83 0.27 1.67 0.86 0.02 0.00 0.00 176.35 180.00 3k40 s TRP 266 N -0.25 2.67 -0.31 0.29 -0.11 -0.07 -4.29 118.94 116.87 3k40 s TRP 266 Ca 0.03 0.36 -0.10 0.00 1.22 0.00 0.00 56.10 57.61 3k40 s TRP 266 Cb -0.13 -4.02 -0.01 0.00 -1.50 0.00 0.00 33.47 27.80 3k40 s TRP 266 CO 0.03 -3.99 0.17 0.42 -4.62 0.00 0.00 176.95 168.95 3k40 s ILE 267 N 1.89 4.77 -0.13 5.86 -1.09 -1.26 -1.04 121.20 130.20 3k40 s ILE 267 Ca 0.74 -0.31 -0.04 0.00 -2.23 0.00 0.00 60.65 58.81 3k40 s ILE 267 Cb -0.44 -3.41 -0.03 0.00 -1.58 0.00 0.00 42.46 37.00 3k40 s ILE 267 CO 0.33 0.09 -0.00 -2.28 -1.23 0.00 0.00 174.94 171.84 3k40 s HIS 268 N 1.65 3.13 -0.31 3.97 5.65 -0.41 -0.61 115.29 128.35 3k40 s HIS 268 Ca 0.05 -0.01 -0.09 0.00 0.25 0.00 0.00 55.06 55.27 3k40 s HIS 268 Cb -0.17 -1.91 0.00 0.00 -1.18 0.00 0.00 32.58 29.33 3k40 s HIS 268 CO 0.07 0.22 0.13 0.08 -0.65 0.00 0.00 174.74 174.60 3k40 s VAL 269 N -0.18 4.36 -0.53 0.89 1.01 -0.13 -1.42 120.40 124.41 3k40 s VAL 269 Ca 0.05 -0.58 -0.18 0.00 0.00 0.00 0.00 61.98 61.28 3k40 s VAL 269 Cb -0.13 -3.26 0.09 0.00 0.00 0.00 0.00 36.38 33.08 3k40 s VAL 269 CO 0.02 0.03 0.56 -0.62 0.00 0.00 0.00 175.10 175.09 3k40 s ASP 270 N 1.56 6.19 -0.28 3.32 2.15 -0.45 -1.27 116.67 127.89 3k40 s ASP 270 Ca 0.03 -1.32 0.08 0.00 0.43 0.00 0.00 52.55 51.78 3k40 s ASP 270 Cb -0.17 -2.25 0.46 0.00 -0.30 0.00 0.00 42.92 40.65 3k40 s ASP 270 CO 0.05 -0.88 1.19 0.00 -0.17 0.00 0.00 175.17 175.36 3k40 n ALA 271 N 5.79 4.78 -0.20 3.66 0.00 -0.25 -1.04 120.51 133.25 3k40 n ALA 271 Ca -0.10 -3.70 0.00 0.00 0.00 0.00 0.00 53.44 49.64 3k40 n ALA 271 Cb 0.43 -0.34 0.09 0.00 0.00 0.00 0.00 19.45 19.63 3k40 n ALA 271 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3k40 h ALA 272 N 2.07 0.56 0.00 0.00 0.00 -1.80 0.97 119.26 121.06 3k40 h ALA 272 Ca 0.31 0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.41 3k40 h ALA 272 Cb 1.48 0.34 0.00 0.00 0.00 0.00 0.00 17.79 19.60 3k40 h ALA 272 CO 0.66 -0.40 -0.27 -0.92 0.00 0.00 0.00 179.25 178.32 3k40 h TYR 273 N 0.10 0.00 0.00 0.00 3.20 -1.85 0.87 116.97 119.28 3k40 h TYR 273 Ca 0.31 0.00 -0.00 0.00 3.14 0.00 0.00 58.73 62.17 3k40 h TYR 273 Cb 0.49 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 38.76 3k40 h TYR 273 CO -0.38 0.00 -0.02 0.00 -1.64 0.00 0.00 178.16 176.12 3k40 h ALA 274 N -1.33 1.04 -0.68 1.82 0.00 -1.72 -3.01 119.26 115.37 3k40 h ALA 274 Ca 0.00 -0.02 0.17 0.00 0.00 0.00 0.00 54.91 55.06 3k40 h ALA 274 Cb 0.27 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 3k40 h ALA 274 CO 0.00 0.03 0.48 0.78 0.00 0.00 0.00 179.25 180.53 3k40 h GLY 275 N 1.23 0.26 1.79 0.00 0.00 -1.02 -0.50 103.07 104.82 3k40 h GLY 275 Ca -0.00 -0.06 -0.00 0.00 0.00 0.00 0.00 47.33 47.26 3k40 h GLY 275 CO 0.00 0.02 0.12 1.76 0.00 0.00 0.00 176.54 178.44 3k40 h SER 276 N 0.15 0.25 0.30 0.19 0.02 -1.75 -1.84 113.55 110.86 3k40 h SER 276 Ca 0.33 -0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 61.26 3k40 h SER 276 Cb 1.09 -0.06 -0.00 0.00 0.14 0.00 0.00 62.40 63.57 3k40 h SER 276 CO -0.05 0.20 -0.04 0.00 -1.14 0.00 0.00 176.83 175.80 3k40 h ALA 277 N 1.85 1.18 0.00 3.77 0.00 -1.33 -3.06 119.26 121.66 3k40 h ALA 277 Ca 0.08 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3k40 h ALA 277 Cb 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.78 3k40 h ALA 277 CO -0.01 0.05 0.00 1.19 0.00 0.00 0.00 179.25 180.48 3k40 n PHE 278 N -3.40 0.00 0.70 0.00 3.72 -0.69 -1.11 117.46 116.69 3k40 n PHE 278 Ca -0.02 0.00 0.10 0.00 -0.05 0.00 0.00 57.45 57.48 3k40 n PHE 278 Cb 0.17 -0.10 0.43 0.00 -0.94 0.00 0.00 39.48 39.04 3k40 n PHE 278 CO 0.00 0.00 0.00 0.44 -0.05 0.00 0.00 176.76 177.15 3k40 n ILE 279 N -1.10 0.62 -3.78 4.37 -5.35 -1.16 -4.47 119.36 108.49 3k40 n ILE 279 Ca 0.12 0.16 -0.36 0.00 -0.27 0.00 0.00 62.75 62.39 3k40 n ILE 279 Cb 0.09 -0.82 -0.11 0.00 -1.74 0.00 0.00 39.64 37.06 3k40 n ILE 279 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3k40 h PRO 281 N 7.80 0.63 0.00 0.00 0.11 -1.86 -1.75 132.00 136.92 3k40 h PRO 281 Ca -0.37 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.70 3k40 h PRO 281 Cb 1.18 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.15 3k40 h PRO 281 CO 0.61 0.41 0.00 -0.85 -0.21 0.00 0.00 178.00 177.96 3k40 n GLU 282 N -4.70 0.15 0.00 1.05 0.00 -1.26 -2.58 120.64 113.29 3k40 n GLU 282 Ca 0.23 0.40 0.07 0.00 0.00 0.00 0.00 57.16 57.86 3k40 n GLU 282 Cb 0.64 -1.80 -0.07 0.00 0.00 0.00 0.00 31.44 30.21 3k40 n GLU 282 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.13 177.79 3k40 n TYR 283 N -2.08 0.00 0.31 -1.84 4.01 -0.67 -4.62 117.16 112.27 3k40 n TYR 283 Ca 0.02 0.00 0.18 0.00 -0.16 0.00 0.00 57.90 57.94 3k40 n TYR 283 Cb 0.20 0.00 1.02 0.00 -0.31 0.00 0.00 39.34 40.25 3k40 n TYR 283 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3k40 h ARG 284 N 0.13 0.00 0.00 -0.72 3.08 -1.37 -1.76 114.38 113.74 3k40 h ARG 284 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3k40 h ARG 284 Cb 0.35 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.40 3k40 h ARG 284 CO 0.00 0.00 0.00 1.12 -1.07 0.00 0.00 179.97 180.02 3k40 h HIS 285 N 0.00 0.00 0.00 3.04 2.07 -1.82 -1.56 115.15 116.88 3k40 h HIS 285 Ca -0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 3k40 h HIS 285 Cb 0.01 0.00 0.00 0.00 2.57 0.00 0.00 27.41 29.99 3k40 h HIS 285 CO 0.00 0.00 0.00 1.28 -3.07 0.00 0.00 177.93 176.14 3k40 n LEU 286 N -2.53 0.32 -1.00 6.12 4.77 -0.66 -2.51 117.00 121.51 3k40 n LEU 286 Ca -0.01 0.54 0.03 0.00 -0.03 0.00 0.00 56.01 56.54 3k40 n LEU 286 Cb 0.09 -0.45 0.23 0.00 -2.33 0.00 0.00 43.42 40.96 3k40 n LEU 286 CO 0.15 -0.16 0.72 1.15 -1.33 0.00 0.00 177.39 177.92 3k40 n MET 287 N -1.82 2.47 -1.57 3.23 0.00 -0.59 -4.90 117.12 113.95 3k40 n MET 287 Ca 0.05 -2.96 -0.52 0.00 0.00 0.00 0.00 57.70 54.27 3k40 n MET 287 Cb 0.33 -1.84 -0.06 0.00 0.00 0.00 0.00 33.22 31.65 3k40 n MET 287 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 175.97 177.14 3k40 n LYS 288 N -0.78 0.98 0.00 3.17 4.81 -1.04 -1.03 118.16 124.26 3k40 n LYS 288 Ca 0.27 0.35 0.00 0.00 -0.87 0.00 0.00 58.31 58.06 3k40 n LYS 288 Cb 0.96 -1.92 0.00 0.00 0.02 0.00 0.00 35.03 34.09 3k40 n LYS 288 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3k40 n GLY 289 N 2.24 0.49 0.30 3.14 0.00 -1.26 -2.41 105.19 107.69 3k40 n GLY 289 Ca 0.18 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.32 3k40 n GLY 289 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3k40 h ILE 290 N 0.00 0.88 -0.57 -0.61 6.09 -1.41 -0.34 117.51 121.55 3k40 h ILE 290 Ca 0.00 0.00 0.17 0.00 -1.37 0.00 0.00 64.86 63.66 3k40 h ILE 290 Cb 0.00 0.91 -0.02 0.00 0.47 0.00 0.00 36.82 38.18 3k40 h ILE 290 CO 0.00 0.00 0.42 -0.33 -3.07 0.00 0.00 178.15 175.17 3k40 h GLU 291 N 0.00 0.00 -0.00 2.19 3.07 -1.94 -1.80 114.58 116.10 3k40 h GLU 291 Ca 0.08 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.94 3k40 h GLU 291 Cb 0.34 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.25 3k40 h GLU 291 CO -0.00 0.00 -0.18 -1.13 -1.40 0.00 0.00 179.01 176.30 3k40 n SER 292 N -4.29 0.31 -4.79 1.42 3.41 -0.14 -4.90 113.62 104.63 3k40 n SER 292 Ca 0.11 -0.11 -0.36 0.00 -0.26 0.00 0.00 58.87 58.24 3k40 n SER 292 Cb 0.66 -0.13 -0.06 0.00 -0.26 0.00 0.00 64.21 64.41 3k40 n SER 292 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3k40 s ALA 293 N -2.80 3.26 -0.09 7.33 0.00 -0.68 -4.77 121.76 124.01 3k40 s ALA 293 Ca 0.19 0.41 0.15 0.00 0.00 0.00 0.00 51.96 52.71 3k40 s ALA 293 Cb 0.19 -3.08 -0.20 0.00 0.00 0.00 0.00 23.12 20.03 3k40 s ALA 293 CO 0.55 0.22 0.63 -0.25 0.00 0.00 0.00 175.76 176.91 3k40 n ASP 294 N 0.53 0.72 -3.82 0.00 8.00 0.22 -4.82 116.55 117.37 3k40 n ASP 294 Ca 0.01 0.33 -0.11 0.00 0.71 0.00 0.00 54.79 55.73 3k40 n ASP 294 Cb 0.51 0.22 -0.08 0.00 -0.02 0.00 0.00 41.12 41.75 3k40 n ASP 294 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 3k40 s SER 295 N -5.85 -0.01 -0.04 -2.24 1.04 -0.92 -1.75 113.70 103.93 3k40 s SER 295 Ca -0.05 -0.29 -0.03 0.00 0.48 0.00 0.00 55.95 56.06 3k40 s SER 295 Cb 0.08 0.30 0.01 0.00 0.10 0.00 0.00 66.02 66.51 3k40 s SER 295 CO 0.82 -0.55 0.10 0.12 0.98 0.00 0.00 173.24 174.72 3k40 s PHE 296 N -2.40 -0.11 -0.04 5.02 5.36 -0.29 -0.95 117.98 124.57 3k40 s PHE 296 Ca -0.06 0.29 -0.03 0.00 -0.96 0.00 0.00 56.93 56.16 3k40 s PHE 296 Cb -0.02 0.01 0.02 0.00 -0.34 0.00 0.00 43.02 42.69 3k40 s PHE 296 CO -0.03 -0.07 0.11 1.21 -1.46 0.00 0.00 175.22 174.98 3k40 s ASN 297 N 0.23 -0.09 0.15 6.13 3.04 -0.40 -1.00 114.94 123.00 3k40 s ASN 297 Ca -0.01 0.21 -0.04 0.00 0.04 0.00 0.00 52.86 53.06 3k40 s ASN 297 Cb -0.02 0.18 -0.03 0.00 -1.54 0.00 0.00 41.25 39.84 3k40 s ASN 297 CO -0.01 -0.06 0.15 0.72 -3.04 0.00 0.00 177.10 174.86 3k40 s PHE 298 N 0.36 0.70 -0.41 0.43 -0.71 -0.79 -1.09 117.98 116.46 3k40 s PHE 298 Ca -0.03 -1.06 -0.07 0.00 -1.04 0.00 0.00 56.93 54.74 3k40 s PHE 298 Cb -0.04 -0.31 0.09 0.00 -1.21 0.00 0.00 43.02 41.55 3k40 s PHE 298 CO -0.01 -0.61 0.23 -0.80 -1.34 0.00 0.00 175.22 172.69 3k40 s ASN 299 N -3.03 5.47 0.60 1.98 0.01 0.30 -0.60 114.94 119.67 3k40 s ASN 299 Ca 0.23 -1.70 0.29 0.00 -0.71 0.00 0.00 52.86 50.96 3k40 s ASN 299 Cb 0.06 -1.92 1.53 0.00 0.41 0.00 0.00 41.25 41.33 3k40 s ASN 299 CO 0.02 -0.54 1.94 -0.65 -1.51 0.00 0.00 177.10 176.36 3k40 h PRO 300 N 8.27 0.00 -1.80 -0.60 0.11 -1.81 -3.29 132.00 132.88 3k40 h PRO 300 Ca -0.20 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.91 3k40 h PRO 300 Cb 1.07 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.18 3k40 h PRO 300 CO 0.74 0.00 0.00 -2.39 -0.21 0.00 0.00 178.00 176.14 3k40 n HIS 301 N -3.61 0.00 0.00 0.65 1.44 -1.12 -1.48 115.22 111.11 3k40 n HIS 301 Ca 0.06 -0.78 0.00 0.00 -2.01 0.00 0.00 57.72 54.99 3k40 n HIS 301 Cb 0.56 -0.41 0.00 0.00 0.12 0.00 0.00 29.99 30.26 3k40 n HIS 301 CO 0.00 0.00 0.00 1.87 -2.81 0.00 0.00 176.34 175.40 3k40 n TRP 303 N 1.33 0.00 -1.44 -1.40 -0.00 -1.24 -0.83 117.44 113.85 3k40 n TRP 303 Ca 0.00 0.00 0.06 0.00 -0.00 0.00 0.00 57.50 57.56 3k40 n TRP 303 Cb 0.44 0.00 0.19 0.00 -0.00 0.00 0.00 31.31 31.94 3k40 n TRP 303 CO 0.00 0.00 0.00 -0.12 -0.00 0.00 0.00 177.69 177.57 3k40 n MET 304 N -0.68 1.55 -1.17 5.87 1.56 -0.55 -4.89 117.12 118.82 3k40 n MET 304 Ca 0.00 -3.11 -0.06 0.00 -0.27 0.00 0.00 57.70 54.27 3k40 n MET 304 Cb 0.00 -1.61 -0.02 0.00 2.15 0.00 0.00 33.22 33.74 3k40 n MET 304 CO 0.00 0.00 0.00 1.28 -0.73 0.00 0.00 175.97 176.52 3k40 n LEU 305 N -1.19 -0.20 -4.31 -0.89 4.77 -1.14 -4.94 117.00 109.10 3k40 n LEU 305 Ca 0.19 0.14 -0.41 0.00 -0.03 0.00 0.00 56.01 55.91 3k40 n LEU 305 Cb 0.71 -1.59 -0.10 0.00 -2.33 0.00 0.00 43.42 40.10 3k40 n LEU 305 CO -0.01 -0.52 -0.10 -0.69 -1.33 0.00 0.00 177.39 174.74 3k40 s VAL 306 N -1.99 4.43 0.38 4.08 1.01 -1.12 -3.90 120.40 123.29 3k40 s VAL 306 Ca 0.00 -1.22 -0.24 0.00 0.00 0.00 0.00 61.98 60.52 3k40 s VAL 306 Cb 0.00 -3.64 -0.13 0.00 0.00 0.00 0.00 36.38 32.61 3k40 s VAL 306 CO 0.00 -0.44 0.72 0.59 0.00 0.00 0.00 175.10 175.96 3k40 n ASN 307 N 4.97 -0.10 -4.58 3.32 4.13 -1.26 -3.32 115.26 118.42 3k40 n ASN 307 Ca -0.11 1.00 -0.37 0.00 1.68 0.00 0.00 54.58 56.78 3k40 n ASN 307 Cb 0.44 -1.18 0.06 0.00 -1.54 0.00 0.00 39.78 37.55 3k40 n ASN 307 CO 0.00 0.00 0.00 2.22 0.28 0.00 0.00 177.26 179.76 3k40 n PHE 308 N -0.54 0.47 -3.96 3.10 1.16 -1.26 -4.34 117.46 112.09 3k40 n PHE 308 Ca 0.11 0.43 -0.33 0.00 -1.87 0.00 0.00 57.45 55.79 3k40 n PHE 308 Cb 0.37 -2.09 -0.05 0.00 -1.61 0.00 0.00 39.48 36.10 3k40 n PHE 308 CO 0.00 0.00 0.00 0.16 -1.87 0.00 0.00 176.76 175.05 3k40 s ASP 309 N -1.30 6.18 -0.33 5.98 3.84 -1.26 -5.14 116.67 124.64 3k40 s ASP 309 Ca 0.75 0.28 0.05 0.00 -0.00 0.00 0.00 52.55 53.62 3k40 s ASP 309 Cb -0.41 -1.89 0.19 0.00 -1.38 0.00 0.00 42.92 39.43 3k40 s ASP 309 CO 0.48 0.25 0.65 0.00 -0.00 0.00 0.00 175.17 176.56 3k40 s SER 311 N 2.52 4.13 -0.26 0.00 0.15 -0.52 -2.77 113.70 116.96 3k40 s SER 311 Ca 0.13 -1.05 -0.17 0.00 0.70 0.00 0.00 55.95 55.55 3k40 s SER 311 Cb -0.07 -1.58 -0.03 0.00 -1.71 0.00 0.00 66.02 62.63 3k40 s SER 311 CO -0.20 -0.13 0.49 0.00 1.20 0.00 0.00 173.24 174.60 3k40 s ALA 312 N 1.22 3.58 -0.10 5.45 0.00 0.24 0.31 121.76 132.46 3k40 s ALA 312 Ca -0.03 -0.62 0.02 0.00 0.00 0.00 0.00 51.96 51.33 3k40 s ALA 312 Cb -0.17 -2.85 0.02 0.00 0.00 0.00 0.00 23.12 20.11 3k40 s ALA 312 CO -0.06 -0.70 -0.14 1.41 0.00 0.00 0.00 175.76 176.27 3k40 s MET 313 N 2.21 2.05 0.02 0.00 0.00 -0.58 -1.89 119.30 121.11 3k40 s MET 313 Ca 0.20 -0.50 0.04 0.00 0.00 0.00 0.00 55.69 55.43 3k40 s MET 313 Cb -0.16 -1.76 -0.03 0.00 0.00 0.00 0.00 34.83 32.88 3k40 s MET 313 CO 0.09 -0.06 -0.08 -1.58 0.00 0.00 0.00 175.02 173.39 3k40 s TRP 314 N 0.98 2.85 0.04 4.11 0.51 -0.17 -0.75 118.94 126.52 3k40 s TRP 314 Ca -0.07 -0.06 0.04 0.00 -2.12 0.00 0.00 56.10 53.88 3k40 s TRP 314 Cb -0.15 -1.58 -0.02 0.00 -0.81 0.00 0.00 33.47 30.91 3k40 s TRP 314 CO -0.01 0.37 -0.11 -0.51 -0.51 0.00 0.00 176.95 176.18 3k40 s LEU 315 N -1.50 2.18 0.43 2.99 1.02 -0.51 -1.13 118.68 122.16 3k40 s LEU 315 Ca 0.17 -0.44 0.22 0.00 0.02 0.00 0.00 54.13 54.10 3k40 s LEU 315 Cb -0.11 -0.43 0.97 0.00 0.02 0.00 0.00 46.19 46.64 3k40 s LEU 315 CO 0.08 -0.03 1.87 0.11 0.02 0.00 0.00 176.35 178.40 3k40 h LYS 316 N 4.92 0.00 -1.96 1.70 1.57 -1.61 -2.23 116.57 118.97 3k40 h LYS 316 Ca -0.36 0.00 -0.32 0.00 -1.87 0.00 0.00 60.65 58.10 3k40 h LYS 316 Cb 1.19 0.00 -0.31 0.00 0.08 0.00 0.00 32.23 33.19 3k40 h LYS 316 CO 0.44 0.26 -0.64 0.34 -0.57 0.00 0.00 179.45 179.28 3k40 s ASP 317 N -6.36 1.16 0.00 0.86 -1.08 -1.26 -2.17 116.67 107.83 3k40 s ASP 317 Ca -0.01 -1.11 0.18 0.00 -0.52 0.00 0.00 52.55 51.09 3k40 s ASP 317 Cb 0.12 0.66 1.06 0.00 -1.46 0.00 0.00 42.92 43.29 3k40 s ASP 317 CO 0.65 -0.32 1.56 -2.65 0.52 0.00 0.00 175.17 174.93 3k40 n PRO 318 N 4.78 0.81 0.00 4.34 -0.02 -1.26 -2.68 135.00 140.97 3k40 n PRO 318 Ca 0.05 0.00 0.13 0.00 -2.02 0.00 0.00 63.50 61.66 3k40 n PRO 318 Cb 0.46 -1.34 0.39 0.00 -0.02 0.00 0.00 33.50 32.99 3k40 n PRO 318 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 3k40 n SER 319 N -0.84 1.05 0.11 2.55 3.41 -1.26 -3.86 113.62 114.78 3k40 n SER 319 Ca 0.13 -0.92 0.13 0.00 -0.26 0.00 0.00 58.87 57.95 3k40 n SER 319 Cb 0.06 0.12 0.42 0.00 -0.26 0.00 0.00 64.21 64.55 3k40 n SER 319 CO 0.00 0.00 0.00 0.79 -0.16 0.00 0.00 175.04 175.67 3k40 n TRP 320 N -0.60 0.95 0.00 7.33 7.02 -1.09 -5.17 117.44 125.88 3k40 n TRP 320 Ca 0.13 0.29 0.00 0.00 -1.02 0.00 0.00 57.50 56.90 3k40 n TRP 320 Cb 0.35 -0.97 0.00 0.00 -2.42 0.00 0.00 31.31 28.26 3k40 n TRP 320 CO 0.00 0.00 0.00 1.33 -2.02 0.00 0.00 177.69 177.00 3k40 n VAL 321 N -2.29 0.00 0.00 -0.99 0.24 -1.25 -4.32 118.33 109.72 3k40 n VAL 321 Ca 0.05 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.35 3k40 n VAL 321 Cb 0.40 -0.63 0.00 0.00 -1.47 0.00 0.00 33.84 32.14 3k40 n VAL 321 CO 0.00 0.00 0.00 -0.81 -2.14 0.00 0.00 176.83 173.88 3k40 n PRO 349 N -0.54 0.00 -3.20 7.34 -0.04 -1.26 -5.02 135.00 132.28 3k40 n PRO 349 Ca 0.00 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.24 3k40 n PRO 349 Cb 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.46 3k40 n PRO 349 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3k40 s LEU 350 N 0.00 3.79 0.00 1.53 1.02 -1.26 -4.62 118.68 119.14 3k40 s LEU 350 Ca 0.00 0.13 0.00 0.00 0.02 0.00 0.00 54.13 54.28 3k40 s LEU 350 Cb 0.00 -3.02 0.00 0.00 0.02 0.00 0.00 46.19 43.19 3k40 s LEU 350 CO 0.00 -0.57 0.00 0.61 0.02 0.00 0.00 176.35 176.41 3k40 n GLY 351 N -1.90 0.73 3.70 -3.19 0.00 -1.26 -4.68 105.19 98.59 3k40 n GLY 351 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 3k40 n GLY 351 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3k40 s ARG 352 N -0.13 4.21 0.00 1.61 0.52 -1.26 -1.89 118.95 122.00 3k40 s ARG 352 Ca 0.00 2.30 0.00 0.00 -0.52 0.00 0.00 55.73 57.51 3k40 s ARG 352 Cb 0.00 -3.49 0.00 0.00 0.52 0.00 0.00 34.95 31.98 3k40 s ARG 352 CO 0.00 -0.68 0.00 0.54 0.02 0.00 0.00 175.30 175.18 3k40 n ARG 353 N 5.17 -0.33 -3.92 3.54 1.74 -0.94 -3.92 116.66 117.99 3k40 n ARG 353 Ca 0.15 0.08 -0.27 0.00 -0.77 0.00 0.00 57.85 57.04 3k40 n ARG 353 Cb 0.40 -3.53 0.00 0.00 -1.02 0.00 0.00 32.46 28.32 3k40 n ARG 353 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 3k40 n PHE 354 N -2.24 -1.87 0.33 -1.55 -0.00 -0.79 -4.84 117.46 106.50 3k40 n PHE 354 Ca 0.00 0.81 0.14 0.00 -0.00 0.00 0.00 57.45 58.40 3k40 n PHE 354 Cb 0.08 -3.85 0.60 0.00 -0.00 0.00 0.00 39.48 36.32 3k40 n PHE 354 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 3k40 h ARG 355 N -1.85 0.00 -0.15 -4.13 3.08 -1.83 -2.67 114.38 106.83 3k40 h ARG 355 Ca -0.61 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 59.40 3k40 h ARG 355 Cb 1.37 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.41 3k40 h ARG 355 CO 0.64 0.00 -0.11 0.00 -1.07 0.00 0.00 179.97 179.43 3k40 h ALA 356 N 2.15 1.54 -0.08 0.04 0.00 -1.88 -3.13 119.26 117.90 3k40 h ALA 356 Ca 0.00 -0.19 0.02 0.00 0.00 0.00 0.00 54.91 54.75 3k40 h ALA 356 Cb 0.32 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 3k40 h ALA 356 CO 0.00 0.33 -0.07 1.25 0.00 0.00 0.00 179.25 180.75 3k40 h LEU 357 N 0.22 -0.23 -1.15 0.00 5.85 -1.86 0.06 115.31 118.19 3k40 h LEU 357 Ca 0.05 0.05 -0.08 0.00 0.84 0.00 0.00 57.88 58.74 3k40 h LEU 357 Cb 0.34 0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.47 3k40 h LEU 357 CO 0.02 -0.10 -0.24 0.07 -0.34 0.00 0.00 178.44 177.84 3k40 h LYS 358 N -0.09 0.29 -0.38 1.25 2.10 -1.75 -0.91 116.57 117.08 3k40 h LYS 358 Ca 0.06 -0.10 -0.03 0.00 -2.00 0.00 0.00 60.65 58.58 3k40 h LYS 358 Cb 0.18 -0.02 -0.02 0.00 -0.90 0.00 0.00 32.23 31.47 3k40 h LYS 358 CO -0.14 0.52 0.12 1.25 -2.00 0.00 0.00 179.45 179.21 3k40 h LEU 359 N 0.26 0.56 -0.14 7.07 5.85 -1.41 -0.95 115.31 126.54 3k40 h LEU 359 Ca 0.04 -0.20 0.03 0.00 0.84 0.00 0.00 57.88 58.59 3k40 h LEU 359 Cb 0.58 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.43 3k40 h LEU 359 CO 0.04 0.61 -0.05 -0.25 -0.34 0.00 0.00 178.44 178.45 3k40 h TRP 360 N 0.47 -0.11 -0.60 1.25 7.01 -0.66 -0.60 115.95 122.72 3k40 h TRP 360 Ca 0.12 0.01 0.01 0.00 2.11 0.00 0.00 58.89 61.14 3k40 h TRP 360 Cb 0.25 0.07 -0.03 0.00 -2.10 0.00 0.00 29.16 27.35 3k40 h TRP 360 CO 0.01 -0.08 0.40 0.74 -2.79 0.00 0.00 178.44 176.72 3k40 h PHE 361 N -0.02 0.76 -0.07 2.65 -1.00 -0.91 -0.38 116.94 117.97 3k40 h PHE 361 Ca 0.07 0.02 -0.01 0.00 2.81 0.00 0.00 57.97 60.85 3k40 h PHE 361 Cb 0.13 -0.26 -0.00 0.00 3.61 0.00 0.00 35.95 39.43 3k40 h PHE 361 CO -0.19 0.48 -0.01 0.28 -1.61 0.00 0.00 178.31 177.26 3k40 h VAL 362 N 0.82 1.28 -0.91 -0.55 2.07 -0.96 0.92 116.25 118.92 3k40 h VAL 362 Ca 0.22 -0.88 -0.01 0.00 0.82 0.00 0.00 66.70 66.85 3k40 h VAL 362 Cb -0.09 1.72 -0.04 0.00 -1.52 0.00 0.00 31.29 31.36 3k40 h VAL 362 CO -0.05 0.24 0.52 -0.07 0.02 0.00 0.00 177.57 178.24 3k40 h LEU 363 N -0.18 1.12 -0.16 2.57 3.38 -0.96 0.03 115.31 121.10 3k40 h LEU 363 Ca 0.02 -0.09 -0.11 0.00 0.09 0.00 0.00 57.88 57.79 3k40 h LEU 363 Cb 0.39 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.86 3k40 h LEU 363 CO 0.01 0.88 -0.35 0.03 0.09 0.00 0.00 178.44 179.10 3k40 h ARG 364 N 1.27 0.51 0.00 1.13 3.08 -1.00 -1.17 114.38 118.21 3k40 h ARG 364 Ca 0.32 -0.34 0.00 0.00 0.07 0.00 0.00 59.98 60.03 3k40 h ARG 364 Cb -0.01 0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.09 3k40 h ARG 364 CO -0.06 0.95 -0.61 -0.07 -1.07 0.00 0.00 179.97 179.12 3k40 h LEU 365 N 0.15 0.00 0.02 3.04 3.38 -0.62 -3.31 115.31 117.96 3k40 h LEU 365 Ca 0.00 -0.18 -0.36 0.00 0.09 0.00 0.00 57.88 57.43 3k40 h LEU 365 Cb 0.95 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.65 3k40 h LEU 365 CO 0.08 0.09 -2.05 -1.22 0.09 0.00 0.00 178.44 175.43 3k40 n TYR 366 N -2.19 0.52 -0.28 1.13 4.02 -0.02 -5.06 117.16 115.28 3k40 n TYR 366 Ca 0.03 0.18 0.03 0.00 -0.01 0.00 0.00 57.90 58.13 3k40 n TYR 366 Cb 0.45 -1.06 -0.01 0.00 -0.02 0.00 0.00 39.34 38.70 3k40 n TYR 366 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3k40 n GLY 367 N 1.60 -2.84 0.17 2.72 0.00 -0.44 -4.10 105.19 102.30 3k40 n GLY 367 Ca -0.43 -1.33 -0.05 0.00 0.00 0.00 0.00 46.02 44.21 3k40 n GLY 367 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3k40 h VAL 368 N -0.20 0.64 -0.33 1.61 2.07 -1.95 -2.75 116.25 115.34 3k40 h VAL 368 Ca -0.03 -0.02 0.05 0.00 0.82 0.00 0.00 66.70 67.52 3k40 h VAL 368 Cb 0.25 0.59 -0.04 0.00 -1.52 0.00 0.00 31.29 30.57 3k40 h VAL 368 CO 0.01 0.01 0.06 -0.33 0.02 0.00 0.00 177.57 177.34 3k40 h GLU 369 N 0.04 0.18 -0.49 1.57 5.08 -1.98 -0.64 114.58 118.34 3k40 h GLU 369 Ca 0.19 -0.01 -0.05 0.00 -1.00 0.00 0.00 59.36 58.50 3k40 h GLU 369 Cb 0.29 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.48 3k40 h GLU 369 CO -0.38 0.12 0.11 -0.91 -1.00 0.00 0.00 179.01 176.95 3k40 h ASN 370 N 0.18 0.70 -0.36 1.42 2.35 -1.69 -0.08 115.58 118.09 3k40 h ASN 370 Ca 0.15 -0.12 -0.12 0.00 -0.55 0.00 0.00 56.30 55.66 3k40 h ASN 370 Cb 0.17 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.35 3k40 h ASN 370 CO -0.20 0.70 -0.23 -0.07 -1.65 0.00 0.00 177.43 175.97 3k40 h LEU 371 N 0.72 0.88 -0.76 1.61 3.38 -1.12 -1.71 115.31 118.33 3k40 h LEU 371 Ca 0.16 -0.33 -0.03 0.00 0.09 0.00 0.00 57.88 57.77 3k40 h LEU 371 Cb 0.29 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.76 3k40 h LEU 371 CO -0.00 1.08 0.35 1.56 0.09 0.00 0.00 178.44 181.51 3k40 h GLN 372 N 0.75 1.10 -0.31 1.13 4.20 -0.72 -2.63 115.11 118.63 3k40 h GLN 372 Ca 0.10 -0.17 -0.07 0.00 0.06 0.00 0.00 58.65 58.57 3k40 h GLN 372 Cb 0.77 -0.19 -0.02 0.00 0.30 0.00 0.00 27.48 28.34 3k40 h GLN 372 CO 0.06 0.87 -0.10 0.00 -0.67 0.00 0.00 178.83 178.99 3k40 h ALA 373 N 1.17 1.25 0.22 3.87 0.00 -0.75 -1.37 119.26 123.64 3k40 h ALA 373 Ca 0.26 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 3k40 h ALA 373 Cb 0.15 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.80 3k40 h ALA 373 CO -0.03 0.49 -0.10 1.25 0.00 0.00 0.00 179.25 180.86 3k40 h HIS 374 N 0.48 -0.27 -0.33 0.00 -0.00 -1.01 -1.27 115.15 112.75 3k40 h HIS 374 Ca 0.09 -0.01 0.04 0.00 -0.00 0.00 0.00 60.37 60.50 3k40 h HIS 374 Cb 0.47 0.09 -0.04 0.00 -0.00 0.00 0.00 27.41 27.93 3k40 h HIS 374 CO 0.02 -0.10 0.08 0.82 -0.00 0.00 0.00 177.93 178.75 3k40 h ILE 375 N -0.38 0.86 -0.70 6.26 1.08 -1.24 -2.52 117.51 120.88 3k40 h ILE 375 Ca -0.03 -0.07 -0.03 0.00 -0.39 0.00 0.00 64.86 64.34 3k40 h ILE 375 Cb 0.29 0.64 -0.03 0.00 -3.07 0.00 0.00 36.82 34.65 3k40 h ILE 375 CO 0.05 0.04 0.33 0.03 -0.69 0.00 0.00 178.15 177.90 3k40 h ARG 376 N 0.21 1.02 -0.58 2.37 3.08 -1.14 -1.07 114.38 118.26 3k40 h ARG 376 Ca 0.15 -0.16 -0.04 0.00 0.07 0.00 0.00 59.98 60.00 3k40 h ARG 376 Cb 0.15 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 30.00 3k40 h ARG 376 CO -0.18 0.81 0.20 0.00 -1.07 0.00 0.00 179.97 179.72 3k40 h ARG 377 N 0.98 0.89 -0.43 0.04 3.08 -1.15 -0.84 114.38 116.95 3k40 h ARG 377 Ca 0.24 -0.18 -0.08 0.00 0.07 0.00 0.00 59.98 60.03 3k40 h ARG 377 Cb 0.13 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.04 3k40 h ARG 377 CO -0.03 0.79 -0.03 0.45 -1.07 0.00 0.00 179.97 180.08 3k40 h HIS 378 N 0.81 0.86 -0.62 3.04 3.86 -1.06 0.32 115.15 122.36 3k40 h HIS 378 Ca 0.19 -0.16 0.03 0.00 -1.16 0.00 0.00 60.37 59.27 3k40 h HIS 378 Cb 0.26 -0.22 -0.04 0.00 1.06 0.00 0.00 27.41 28.46 3k40 h HIS 378 CO 0.02 0.86 0.37 0.00 0.86 0.00 0.00 177.93 180.03 3k40 h ASN 380 N 0.72 0.97 -0.85 0.00 2.35 -0.79 -2.12 115.58 115.87 3k40 h ASN 380 Ca 0.25 -0.18 -0.02 0.00 -0.55 0.00 0.00 56.30 55.80 3k40 h ASN 380 Cb 0.05 -0.25 -0.04 0.00 0.05 0.00 0.00 38.32 38.13 3k40 h ASN 380 CO -0.12 0.92 0.45 -0.26 -1.65 0.00 0.00 177.43 176.77 3k40 h PHE 381 N 1.00 1.18 -0.32 1.19 0.04 -0.59 -0.87 116.94 118.58 3k40 h PHE 381 Ca 0.22 -0.03 -0.03 0.00 2.80 0.00 0.00 57.97 60.92 3k40 h PHE 381 Cb 0.30 -0.38 -0.01 0.00 2.20 0.00 0.00 35.95 38.06 3k40 h PHE 381 CO 0.02 0.83 0.07 0.00 -0.60 0.00 0.00 178.31 178.63 3k40 h ALA 382 N 1.30 0.42 -0.59 2.45 0.00 -0.98 -0.79 119.26 121.06 3k40 h ALA 382 Ca 0.30 -0.18 0.04 0.00 0.00 0.00 0.00 54.91 55.07 3k40 h ALA 382 Cb 0.05 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 17.68 3k40 h ALA 382 CO -0.05 0.09 0.33 0.87 0.00 0.00 0.00 179.25 180.49 3k40 h LYS 383 N 0.35 0.62 0.06 0.00 1.57 -1.08 0.47 116.57 118.55 3k40 h LYS 383 Ca 0.10 -0.04 0.02 0.00 -1.87 0.00 0.00 60.65 58.86 3k40 h LYS 383 Cb 0.30 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.45 3k40 h LYS 383 CO 0.00 0.41 -0.16 0.37 -0.57 0.00 0.00 179.45 179.50 3k40 h GLN 384 N 0.64 -0.28 -0.54 3.15 4.15 -0.83 -0.58 115.11 120.81 3k40 h GLN 384 Ca 0.25 0.02 0.06 0.00 0.77 0.00 0.00 58.65 59.76 3k40 h GLN 384 Cb 0.11 0.06 -0.06 0.00 0.21 0.00 0.00 27.48 27.81 3k40 h GLN 384 CO -0.14 -0.19 0.23 0.35 -1.93 0.00 0.00 178.83 177.15 3k40 h PHE 385 N -0.29 0.42 -0.72 3.99 3.57 -0.86 -2.10 116.94 120.95 3k40 h PHE 385 Ca 0.03 0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.58 3k40 h PHE 385 Cb 0.33 -0.11 -0.04 0.00 2.79 0.00 0.00 35.95 38.91 3k40 h PHE 385 CO -0.18 0.16 0.46 0.78 -2.23 0.00 0.00 178.31 177.30 3k40 h GLY 386 N 0.45 1.04 0.80 2.40 0.00 -0.51 -0.77 103.07 106.48 3k40 h GLY 386 Ca 0.25 -0.35 0.03 0.00 0.00 0.00 0.00 47.33 47.26 3k40 h GLY 386 CO -0.22 0.31 0.25 -0.55 0.00 0.00 0.00 176.54 176.33 3k40 h ASP 387 N 0.91 0.38 -0.89 0.19 3.32 -0.79 -0.91 116.42 118.63 3k40 h ASP 387 Ca 0.29 0.02 -0.02 0.00 0.02 0.00 0.00 57.03 57.34 3k40 h ASP 387 Cb -0.01 -0.06 -0.04 0.00 0.22 0.00 0.00 39.33 39.44 3k40 h ASP 387 CO -0.10 0.27 0.49 -0.07 -1.72 0.00 0.00 179.24 178.11 3k40 h LEU 388 N 0.50 1.11 0.28 1.55 3.38 -0.84 -2.55 115.31 118.74 3k40 h LEU 388 Ca 0.20 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 3k40 h LEU 388 Cb 0.08 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.55 3k40 h LEU 388 CO -0.12 0.89 -0.14 0.00 0.09 0.00 0.00 178.44 179.16 3k40 h VAL 390 N -0.60 0.85 0.00 0.00 -1.51 -1.14 -1.43 116.25 112.43 3k40 h VAL 390 Ca -0.04 -0.84 -0.00 0.00 -1.23 0.00 0.00 66.70 64.59 3k40 h VAL 390 Cb 0.43 1.50 -0.00 0.00 -2.13 0.00 0.00 31.29 31.09 3k40 h VAL 390 CO 0.06 0.21 -0.00 0.00 -1.23 0.00 0.00 177.57 176.61 3k40 h ALA 391 N 1.78 1.02 -2.33 5.19 0.00 -1.47 -3.37 119.26 120.09 3k40 h ALA 391 Ca -0.00 -0.00 -0.67 0.00 0.00 0.00 0.00 54.91 54.23 3k40 h ALA 391 Cb 0.48 -0.00 -0.17 0.00 0.00 0.00 0.00 17.79 18.10 3k40 h ALA 391 CO 0.03 0.00 -0.08 0.34 0.00 0.00 0.00 179.25 179.54 3k40 s ASP 392 N -5.31 6.25 0.00 0.00 -1.08 -0.54 -4.94 116.67 111.05 3k40 s ASP 392 Ca -0.04 -0.45 0.11 0.00 -0.52 0.00 0.00 52.55 51.65 3k40 s ASP 392 Cb 0.12 -2.26 0.57 0.00 -1.46 0.00 0.00 42.92 39.89 3k40 s ASP 392 CO 0.44 -0.62 1.27 -1.54 0.52 0.00 0.00 175.17 175.25 3k40 n SER 393 N 5.83 0.00 0.18 -0.34 3.41 -1.26 -1.77 113.62 119.68 3k40 n SER 393 Ca -0.05 0.15 0.13 0.00 -0.26 0.00 0.00 58.87 58.84 3k40 n SER 393 Cb 0.48 -0.30 0.36 0.00 -0.26 0.00 0.00 64.21 64.49 3k40 n SER 393 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 3k40 h ARG 394 N 0.00 0.00 -6.23 4.33 3.08 -1.91 -3.47 114.38 110.18 3k40 h ARG 394 Ca 0.00 0.00 -0.56 0.00 0.07 0.00 0.00 59.98 59.49 3k40 h ARG 394 Cb 0.11 0.00 -0.09 0.00 0.08 0.00 0.00 29.97 30.07 3k40 h ARG 394 CO 0.00 0.00 -0.64 -0.06 -1.07 0.00 0.00 179.97 178.20 3k40 s PHE 395 N -3.26 2.74 0.01 3.04 0.40 -0.73 -0.87 117.98 119.31 3k40 s PHE 395 Ca 0.07 -0.20 -0.02 0.00 -0.60 0.00 0.00 56.93 56.17 3k40 s PHE 395 Cb 0.08 -1.23 -0.01 0.00 0.51 0.00 0.00 43.02 42.37 3k40 s PHE 395 CO 0.60 0.60 0.02 -1.83 0.70 0.00 0.00 175.22 175.31 3k40 s GLU 396 N -3.58 0.33 0.36 0.44 -1.05 -0.69 -4.81 118.70 109.70 3k40 s GLU 396 Ca 0.31 -0.48 -0.26 0.00 -0.15 0.00 0.00 54.97 54.38 3k40 s GLU 396 Cb -0.07 0.13 -0.09 0.00 -0.44 0.00 0.00 34.13 33.66 3k40 s GLU 396 CO 0.20 -0.06 1.15 -0.51 0.95 0.00 0.00 175.26 176.98 3k40 s LEU 397 N -1.29 4.30 0.00 1.83 1.43 -1.26 -1.82 118.68 121.87 3k40 s LEU 397 Ca -0.14 2.31 0.23 0.00 -1.03 0.00 0.00 54.13 55.50 3k40 s LEU 397 Cb -0.08 -3.91 0.05 0.00 0.03 0.00 0.00 46.19 42.27 3k40 s LEU 397 CO -0.00 -0.50 1.11 0.00 0.23 0.00 0.00 176.35 177.18 3k40 n ALA 398 N 0.39 4.01 -3.46 4.21 0.00 -0.08 -4.88 120.51 120.72 3k40 n ALA 398 Ca 0.03 -0.56 -0.11 0.00 0.00 0.00 0.00 53.44 52.80 3k40 n ALA 398 Cb 0.46 -0.86 -0.02 0.00 0.00 0.00 0.00 19.45 19.02 3k40 n ALA 398 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3k40 s ALA 399 N -2.77 -1.69 0.42 0.00 0.00 -1.25 -4.99 121.76 111.49 3k40 s ALA 399 Ca 0.14 0.72 -0.26 0.00 0.00 0.00 0.00 51.96 52.56 3k40 s ALA 399 Cb 0.17 0.67 -0.09 0.00 0.00 0.00 0.00 23.12 23.88 3k40 s ALA 399 CO 0.71 -0.72 1.42 -1.83 0.00 0.00 0.00 175.76 175.34 3k40 s GLU 400 N -3.42 3.84 0.07 0.00 -1.05 -1.26 -4.69 118.70 112.18 3k40 s GLU 400 Ca 0.02 2.42 -0.31 0.00 -0.15 0.00 0.00 54.97 56.95 3k40 s GLU 400 Cb -0.01 -2.75 -0.06 0.00 -0.44 0.00 0.00 34.13 30.86 3k40 s GLU 400 CO -0.11 -0.69 1.31 0.42 0.95 0.00 0.00 175.26 177.14 3k40 s ILE 401 N -1.19 3.69 0.00 1.83 1.01 -1.26 -4.88 121.20 120.40 3k40 s ILE 401 Ca 0.58 1.18 0.01 0.00 0.00 0.00 0.00 60.65 62.43 3k40 s ILE 401 Cb -0.44 -3.76 -0.00 0.00 0.01 0.00 0.00 42.46 38.27 3k40 s ILE 401 CO 0.57 0.07 -0.04 0.20 0.00 0.00 0.00 174.94 175.74 3k40 s ASN 402 N 1.26 0.48 1.15 3.58 0.01 -1.21 -5.05 114.94 115.15 3k40 s ASN 402 Ca 0.62 -0.12 0.00 0.00 -0.71 0.00 0.00 52.86 52.65 3k40 s ASN 402 Cb -0.33 -0.04 0.00 0.00 0.41 0.00 0.00 41.25 41.29 3k40 s ASN 402 CO 0.29 0.02 0.00 0.23 -1.51 0.00 0.00 177.10 176.13 3k40 n MET 403 N 2.84 0.00 -0.71 -0.60 2.81 -1.26 -2.07 117.12 118.12 3k40 n MET 403 Ca -0.14 0.00 -0.02 0.00 -1.81 0.00 0.00 57.70 55.73 3k40 n MET 403 Cb 0.58 0.00 0.24 0.00 -0.71 0.00 0.00 33.22 33.33 3k40 n MET 403 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3k40 n GLY 404 N 0.00 2.93 3.10 3.03 0.00 -1.26 -4.34 105.19 108.65 3k40 n GLY 404 Ca 0.00 -0.69 -0.26 0.00 0.00 0.00 0.00 46.02 45.07 3k40 n GLY 404 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3k40 s LEU 405 N -2.07 1.83 -0.15 0.99 2.96 -0.88 -0.90 118.68 120.45 3k40 s LEU 405 Ca 0.39 -0.36 0.02 0.00 -0.22 0.00 0.00 54.13 53.96 3k40 s LEU 405 Cb 0.31 -0.97 0.01 0.00 0.50 0.00 0.00 46.19 46.04 3k40 s LEU 405 CO 0.10 0.10 -0.20 -0.69 -1.32 0.00 0.00 176.35 174.35 3k40 s VAL 406 N 0.34 2.20 -0.21 1.68 1.01 0.46 -3.35 120.40 122.53 3k40 s VAL 406 Ca -0.10 -0.92 -0.08 0.00 0.00 0.00 0.00 61.98 60.88 3k40 s VAL 406 Cb -0.14 -1.90 -0.04 0.00 0.00 0.00 0.00 36.38 34.30 3k40 s VAL 406 CO 0.04 0.54 0.08 0.00 0.00 0.00 0.00 175.10 175.75 3k40 s PHE 408 N 0.89 0.07 0.12 0.00 -0.71 0.15 -0.90 117.98 117.60 3k40 s PHE 408 Ca 0.04 -0.43 -0.23 0.00 -1.04 0.00 0.00 56.93 55.28 3k40 s PHE 408 Cb -0.14 0.22 0.06 0.00 -1.21 0.00 0.00 43.02 41.96 3k40 s PHE 408 CO 0.03 -0.84 0.57 -0.98 -1.34 0.00 0.00 175.22 172.66 3k40 s ARG 409 N -3.91 1.20 0.24 1.99 1.70 -0.75 0.31 118.95 119.72 3k40 s ARG 409 Ca 0.12 -0.41 -0.30 0.00 -0.47 0.00 0.00 55.73 54.67 3k40 s ARG 409 Cb 0.01 0.55 -0.10 0.00 -0.57 0.00 0.00 34.95 34.84 3k40 s ARG 409 CO -0.02 -0.49 1.38 -0.51 -1.08 0.00 0.00 175.30 174.57 3k40 s LEU 410 N -2.52 4.40 0.27 -1.89 1.43 -1.26 -1.71 118.68 117.40 3k40 s LEU 410 Ca -0.01 2.57 -0.30 0.00 -1.03 0.00 0.00 54.13 55.36 3k40 s LEU 410 Cb -0.00 -3.62 -0.13 0.00 0.03 0.00 0.00 46.19 42.47 3k40 s LEU 410 CO -0.09 -0.62 1.39 0.29 0.23 0.00 0.00 176.35 177.55 3k40 n LYS 411 N 2.31 2.09 0.00 1.70 5.02 -0.05 -4.67 118.16 124.56 3k40 n LYS 411 Ca 0.06 0.74 0.00 0.00 -2.02 0.00 0.00 58.31 57.09 3k40 n LYS 411 Cb 0.41 -2.39 0.00 0.00 -0.02 0.00 0.00 35.03 33.04 3k40 n LYS 411 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3k40 n GLY 412 N 1.82 0.54 3.82 0.72 0.00 -1.26 -5.00 105.19 105.83 3k40 n GLY 412 Ca 0.10 -2.07 -0.33 0.00 0.00 0.00 0.00 46.02 43.72 3k40 n GLY 412 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3k40 s SER 413 N -4.00 6.57 0.29 1.61 1.04 -1.26 -4.95 113.70 113.01 3k40 s SER 413 Ca 0.00 1.71 0.05 0.00 0.48 0.00 0.00 55.95 58.19 3k40 s SER 413 Cb 0.00 -2.53 0.71 0.00 0.10 0.00 0.00 66.02 64.30 3k40 s SER 413 CO 0.00 -0.62 1.76 0.78 0.98 0.00 0.00 173.24 176.14 3k40 h ASN 414 N 1.33 0.67 -0.72 7.02 2.35 -1.92 -2.81 115.58 121.49 3k40 h ASN 414 Ca -0.48 0.11 -0.04 0.00 -0.55 0.00 0.00 56.30 55.34 3k40 h ASN 414 Cb 1.19 -0.00 -0.03 0.00 0.05 0.00 0.00 38.32 39.53 3k40 h ASN 414 CO 0.60 0.22 0.31 1.05 -1.65 0.00 0.00 177.43 177.96 3k40 h GLU 415 N 0.68 1.08 0.00 0.81 9.09 -1.97 0.82 114.58 125.09 3k40 h GLU 415 Ca 0.56 -0.18 -0.10 0.00 0.05 0.00 0.00 59.36 59.69 3k40 h GLU 415 Cb 0.90 -0.19 -0.01 0.00 -1.65 0.00 0.00 28.75 27.80 3k40 h GLU 415 CO -0.41 0.87 -0.47 0.07 0.05 0.00 0.00 179.01 179.12 3k40 h ARG 416 N 1.07 0.00 -0.23 1.06 0.11 -1.89 -2.05 114.38 112.45 3k40 h ARG 416 Ca 0.25 0.00 -0.17 0.00 0.10 0.00 0.00 59.98 60.16 3k40 h ARG 416 Cb 0.18 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.25 3k40 h ARG 416 CO -0.02 0.47 -0.56 -0.91 0.10 0.00 0.00 179.97 179.05 3k40 h ASN 417 N 0.00 0.78 -0.83 0.08 2.35 -1.06 -1.53 115.58 115.38 3k40 h ASN 417 Ca -0.00 -0.42 -0.01 0.00 -0.55 0.00 0.00 56.30 55.31 3k40 h ASN 417 Cb 0.92 -0.22 -0.04 0.00 0.05 0.00 0.00 38.32 39.03 3k40 h ASN 417 CO 0.06 1.18 0.47 -0.33 -1.65 0.00 0.00 177.43 177.16 3k40 h GLU 418 N 0.53 1.14 -0.47 0.81 5.08 -0.67 -0.37 114.58 120.64 3k40 h GLU 418 Ca 0.01 -0.12 -0.01 0.00 -1.00 0.00 0.00 59.36 58.24 3k40 h GLU 418 Cb 1.14 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 30.14 3k40 h GLU 418 CO 0.11 0.82 0.26 0.00 -1.00 0.00 0.00 179.01 179.21 3k40 h ALA 419 N 1.25 0.60 0.13 3.43 0.00 -1.29 -1.99 119.26 121.39 3k40 h ALA 419 Ca 0.29 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.12 3k40 h ALA 419 Cb -0.00 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.60 3k40 h ALA 419 CO -0.05 0.11 -0.09 1.25 0.00 0.00 0.00 179.25 180.47 3k40 h LEU 420 N 0.62 -0.22 -0.61 0.00 5.85 -0.92 0.66 115.31 120.69 3k40 h LEU 420 Ca 0.17 0.02 0.06 0.00 0.84 0.00 0.00 57.88 58.96 3k40 h LEU 420 Cb 0.04 0.07 -0.05 0.00 0.37 0.00 0.00 40.66 41.08 3k40 h LEU 420 CO -0.03 -0.14 0.32 0.25 -0.34 0.00 0.00 178.44 178.50 3k40 h LEU 421 N -0.22 0.46 -0.77 2.25 5.85 -0.97 0.12 115.31 122.04 3k40 h LEU 421 Ca -0.01 0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.73 3k40 h LEU 421 Cb 0.19 -0.05 -0.04 0.00 0.37 0.00 0.00 40.66 41.13 3k40 h LEU 421 CO 0.01 0.30 0.43 0.50 -0.34 0.00 0.00 178.44 179.34 3k40 h LYS 422 N 0.60 1.06 -0.13 1.25 3.64 -1.05 -0.83 116.57 121.11 3k40 h LYS 422 Ca 0.28 -0.12 -0.01 0.00 -1.27 0.00 0.00 60.65 59.53 3k40 h LYS 422 Cb 0.19 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 31.80 3k40 h LYS 422 CO -0.19 0.78 0.05 0.00 -2.27 0.00 0.00 179.45 177.82 3k40 h ARG 423 N 1.06 0.20 0.16 1.90 3.08 -0.10 0.20 114.38 120.88 3k40 h ARG 423 Ca 0.27 -0.04 -0.00 0.00 0.07 0.00 0.00 59.98 60.28 3k40 h ARG 423 Cb 0.02 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.03 3k40 h ARG 423 CO -0.04 0.32 -0.12 0.82 -1.07 0.00 0.00 179.97 179.87 3k40 h ILE 424 N 0.04 0.73 -0.59 2.04 2.04 -0.56 -1.71 117.51 119.51 3k40 h ILE 424 Ca 0.04 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.89 3k40 h ILE 424 Cb 0.20 0.73 -0.03 0.00 -0.74 0.00 0.00 36.82 36.98 3k40 h ILE 424 CO -0.00 0.00 0.32 0.78 0.00 0.00 0.00 178.15 179.25 3k40 h ASN 425 N -0.29 0.72 0.67 1.72 2.35 -1.09 -2.39 115.58 117.27 3k40 h ASN 425 Ca -0.01 -0.05 -0.03 0.00 -0.55 0.00 0.00 56.30 55.66 3k40 h ASN 425 Cb 0.26 -0.18 -0.00 0.00 0.05 0.00 0.00 38.32 38.44 3k40 h ASN 425 CO -0.01 0.58 -0.17 1.23 -1.65 0.00 0.00 177.43 177.41 3k40 h GLY 426 N 0.88 0.00 2.00 2.83 0.00 -0.59 -2.93 103.07 105.26 3k40 h GLY 426 Ca 0.21 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.47 3k40 h GLY 426 CO -0.03 0.00 -0.32 3.21 0.00 0.00 0.00 176.54 179.40 3k40 h ARG 427 N 0.00 0.00 -0.26 4.80 3.08 -0.77 -3.47 114.38 117.75 3k40 h ARG 427 Ca -0.00 0.00 -0.11 0.00 0.07 0.00 0.00 59.98 59.94 3k40 h ARG 427 Cb 0.54 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.55 3k40 h ARG 427 CO 0.02 0.32 -0.10 0.41 -1.07 0.00 0.00 179.97 179.55 3k40 n GLY 428 N 0.28 0.80 0.13 0.04 0.00 -1.11 -4.91 105.19 100.42 3k40 n GLY 428 Ca 0.00 -0.78 -0.18 0.00 0.00 0.00 0.00 46.02 45.07 3k40 n GLY 428 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3k40 n HIS 429 N -2.83 0.39 -4.26 1.61 8.25 -1.26 -4.34 115.22 112.77 3k40 n HIS 429 Ca -0.05 0.09 -0.14 0.00 -0.26 0.00 0.00 57.72 57.35 3k40 n HIS 429 Cb 0.18 -1.05 -0.10 0.00 1.12 0.00 0.00 29.99 30.14 3k40 n HIS 429 CO 0.00 0.00 0.00 0.96 0.64 0.00 0.00 176.34 177.94 3k40 s ILE 430 N -2.53 0.34 -0.07 1.59 -4.36 -1.26 -4.87 121.20 110.03 3k40 s ILE 430 Ca -0.28 -2.00 0.03 0.00 -0.26 0.00 0.00 60.65 58.14 3k40 s ILE 430 Cb 0.08 -2.53 0.01 0.00 1.25 0.00 0.00 42.46 41.26 3k40 s ILE 430 CO 0.67 -0.04 -0.17 -2.28 0.24 0.00 0.00 174.94 173.36 3k40 s HIS 431 N -3.91 1.83 0.33 1.37 5.65 -0.51 -4.46 115.29 115.59 3k40 s HIS 431 Ca 0.37 -0.68 0.06 0.00 0.25 0.00 0.00 55.06 55.07 3k40 s HIS 431 Cb 0.07 -1.28 -0.07 0.00 -1.18 0.00 0.00 32.58 30.13 3k40 s HIS 431 CO 0.12 -0.29 -0.01 -0.51 -0.65 0.00 0.00 174.74 173.39 3k40 s LEU 432 N 0.44 2.50 0.08 8.88 1.43 -1.26 -0.98 118.68 129.77 3k40 s LEU 432 Ca -0.14 -1.29 0.08 0.00 -1.03 0.00 0.00 54.13 51.76 3k40 s LEU 432 Cb -0.16 -0.66 -0.03 0.00 0.03 0.00 0.00 46.19 45.38 3k40 s LEU 432 CO 0.05 -0.43 -0.22 0.68 0.23 0.00 0.00 176.35 176.65 3k40 s VAL 433 N -2.99 1.82 0.34 -1.59 -7.23 -1.21 -4.95 120.40 104.60 3k40 s VAL 433 Ca 0.33 -1.45 -0.01 0.00 -1.81 0.00 0.00 61.98 59.04 3k40 s VAL 433 Cb 0.06 -1.62 -0.04 0.00 0.56 0.00 0.00 36.38 35.35 3k40 s VAL 433 CO 0.15 0.09 0.56 -2.16 -0.31 0.00 0.00 175.10 173.42 3k40 s PRO 434 N -1.64 3.51 0.22 4.82 0.04 -1.26 0.15 135.00 140.83 3k40 s PRO 434 Ca 0.08 -0.26 -0.12 0.00 0.04 0.00 0.00 61.00 60.74 3k40 s PRO 434 Cb -0.10 -2.65 -0.00 0.00 0.04 0.00 0.00 34.50 31.79 3k40 s PRO 434 CO 0.04 0.14 0.42 0.00 0.04 0.00 0.00 177.00 177.64 3k40 s ALA 435 N -2.30 -0.24 -0.09 8.56 0.00 -0.27 -4.87 121.76 122.54 3k40 s ALA 435 Ca 0.41 -0.80 -0.04 0.00 0.00 0.00 0.00 51.96 51.53 3k40 s ALA 435 Cb -0.10 0.99 0.05 0.00 0.00 0.00 0.00 23.12 24.06 3k40 s ALA 435 CO 0.36 -0.78 0.21 0.21 0.00 0.00 0.00 175.76 175.75 3k40 s LYS 436 N -3.99 0.15 -0.21 0.00 2.20 -1.26 -0.12 119.74 116.51 3k40 s LYS 436 Ca 0.19 0.50 0.02 0.00 -0.36 0.00 0.00 55.97 56.32 3k40 s LYS 436 Cb 0.01 -0.15 0.04 0.00 -1.51 0.00 0.00 37.83 36.22 3k40 s LYS 436 CO 0.05 -0.19 -0.13 0.42 -0.36 0.00 0.00 175.35 175.14 3k40 s ILE 437 N 1.43 1.93 -0.58 5.43 1.01 -0.56 -4.88 121.20 124.98 3k40 s ILE 437 Ca -0.07 -1.18 -0.21 0.00 0.00 0.00 0.00 60.65 59.18 3k40 s ILE 437 Cb -0.11 -1.94 0.03 0.00 0.01 0.00 0.00 42.46 40.45 3k40 s ILE 437 CO -0.07 0.22 0.60 0.29 0.00 0.00 0.00 174.94 175.98 3k40 n LYS 438 N 4.59 -1.66 -1.13 2.79 5.02 -1.26 -1.44 118.16 125.07 3k40 n LYS 438 Ca -0.16 1.05 -0.09 0.00 -2.02 0.00 0.00 58.31 57.09 3k40 n LYS 438 Cb 0.46 -1.97 -0.04 0.00 -0.02 0.00 0.00 35.03 33.46 3k40 n LYS 438 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 3k40 n ASP 439 N -1.17 -3.89 -4.23 4.39 2.03 -1.26 -4.94 116.55 107.49 3k40 n ASP 439 Ca -0.19 0.22 -0.38 0.00 0.52 0.00 0.00 54.79 54.96 3k40 n ASP 439 Cb 0.66 -3.12 -0.11 0.00 -0.72 0.00 0.00 41.12 37.82 3k40 n ASP 439 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 3k40 s VAL 440 N -1.62 3.79 0.08 5.18 1.01 -0.52 -4.95 120.40 123.37 3k40 s VAL 440 Ca 0.00 -1.45 -0.24 0.00 0.00 0.00 0.00 61.98 60.28 3k40 s VAL 440 Cb 0.00 -3.31 -0.06 0.00 0.00 0.00 0.00 36.38 33.01 3k40 s VAL 440 CO 0.00 -0.41 0.75 -0.47 0.00 0.00 0.00 175.10 174.97 3k40 s TYR 441 N 1.35 3.79 0.16 5.22 5.04 -1.26 -1.50 117.35 130.15 3k40 s TYR 441 Ca 0.02 1.50 -0.11 0.00 -2.44 0.00 0.00 57.07 56.04 3k40 s TYR 441 Cb -0.22 -2.77 0.00 0.00 0.35 0.00 0.00 41.96 39.32 3k40 s TYR 441 CO 0.01 0.37 0.32 -0.59 -1.34 0.00 0.00 175.55 174.32 3k40 s PHE 442 N -0.47 0.25 0.13 4.97 -0.12 0.83 -4.86 117.98 118.71 3k40 s PHE 442 Ca 0.37 -0.62 -0.05 0.00 -0.05 0.00 0.00 56.93 56.58 3k40 s PHE 442 Cb -0.21 0.03 -0.06 0.00 -0.63 0.00 0.00 43.02 42.15 3k40 s PHE 442 CO 0.23 -0.73 0.37 -0.51 -0.05 0.00 0.00 175.22 174.54 3k40 s LEU 443 N -2.93 4.27 -0.09 -1.99 1.43 0.15 -1.12 118.68 118.41 3k40 s LEU 443 Ca 0.14 0.58 0.04 0.00 -1.03 0.00 0.00 54.13 53.86 3k40 s LEU 443 Cb 0.03 -3.27 -0.01 0.00 0.03 0.00 0.00 46.19 42.96 3k40 s LEU 443 CO -0.02 0.06 -0.22 -0.13 0.23 0.00 0.00 176.35 176.27 3k40 s ARG 444 N -2.61 2.88 -0.36 1.70 0.52 0.12 -0.68 118.95 120.53 3k40 s ARG 444 Ca 0.40 -0.84 -0.02 0.00 -0.52 0.00 0.00 55.73 54.75 3k40 s ARG 444 Cb -0.12 -2.31 0.08 0.00 0.52 0.00 0.00 34.95 33.12 3k40 s ARG 444 CO 0.24 0.30 0.11 1.41 0.02 0.00 0.00 175.30 177.38 3k40 s MET 445 N 0.07 2.15 -0.10 3.54 1.75 0.46 -3.29 119.30 123.88 3k40 s MET 445 Ca -0.09 -1.58 -0.04 0.00 -1.25 0.00 0.00 55.69 52.72 3k40 s MET 445 Cb -0.15 -3.39 -0.04 0.00 2.84 0.00 0.00 34.83 34.09 3k40 s MET 445 CO 0.06 -0.87 0.06 0.00 -0.65 0.00 0.00 175.02 173.62 3k40 s ALA 446 N 1.18 3.54 -0.38 4.11 0.00 -1.26 -0.40 121.76 128.54 3k40 s ALA 446 Ca 0.03 -0.73 -0.29 0.00 0.00 0.00 0.00 51.96 50.96 3k40 s ALA 446 Cb -0.21 -1.70 0.01 0.00 0.00 0.00 0.00 23.12 21.22 3k40 s ALA 446 CO -0.03 0.59 1.24 0.42 0.00 0.00 0.00 175.76 177.98 3k40 s ILE 447 N -0.90 4.16 -0.14 0.00 1.09 -0.08 -4.55 121.20 120.78 3k40 s ILE 447 Ca 0.14 1.26 -0.11 0.00 -1.10 0.00 0.00 60.65 60.83 3k40 s ILE 447 Cb -0.12 -4.35 -0.06 0.00 -1.06 0.00 0.00 42.46 36.88 3k40 s ILE 447 CO 0.03 -0.70 -0.24 0.00 -0.10 0.00 0.00 174.94 173.92 3k40 s SER 449 N -6.34 6.68 0.10 0.00 0.15 -1.26 -4.62 113.70 108.41 3k40 s SER 449 Ca -0.23 2.64 0.18 0.00 0.70 0.00 0.00 55.95 59.24 3k40 s SER 449 Cb 0.07 -2.62 0.77 0.00 -1.71 0.00 0.00 66.02 62.52 3k40 s SER 449 CO 0.32 -0.68 1.57 -2.11 1.20 0.00 0.00 173.24 173.53 3k40 n ARG 450 N 2.35 0.08 -0.03 5.44 1.85 -1.26 -2.35 116.66 122.72 3k40 n ARG 450 Ca 0.07 0.31 0.12 0.00 -1.00 0.00 0.00 57.85 57.35 3k40 n ARG 450 Cb 0.40 -1.64 0.48 0.00 -1.05 0.00 0.00 32.46 30.66 3k40 n ARG 450 CO 0.00 0.00 0.00 1.19 -0.01 0.00 0.00 177.63 178.81 3k40 n PHE 451 N -1.78 0.09 -1.83 2.89 3.72 -1.26 -4.96 117.46 114.33 3k40 n PHE 451 Ca 0.03 -0.05 -0.40 0.00 -0.05 0.00 0.00 57.45 56.99 3k40 n PHE 451 Cb 0.20 0.00 0.01 0.00 -0.94 0.00 0.00 39.48 38.75 3k40 n PHE 451 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 176.76 177.70 3k40 s THR 452 N -1.91 2.13 0.16 4.37 2.01 -0.99 -4.91 115.64 116.49 3k40 s THR 452 Ca 0.36 0.11 0.06 0.00 0.31 0.00 0.00 61.69 62.53 3k40 s THR 452 Cb 0.19 -3.07 -0.04 0.00 0.01 0.00 0.00 72.50 69.59 3k40 s THR 452 CO 0.30 0.02 -0.12 -1.10 -0.69 0.00 0.00 174.62 173.03 3k40 s GLN 453 N -2.38 1.13 0.28 4.92 -0.21 -1.26 -5.05 119.66 117.10 3k40 s GLN 453 Ca 0.59 -1.46 -0.01 0.00 0.02 0.00 0.00 55.36 54.51 3k40 s GLN 453 Cb -0.43 -0.81 0.65 0.00 1.00 0.00 0.00 33.01 33.41 3k40 s GLN 453 CO 0.56 0.12 1.61 1.03 -2.12 0.00 0.00 175.29 176.49 3k40 h SER 454 N 2.84 -0.34 0.64 5.90 0.87 -1.97 -0.33 113.55 121.15 3k40 h SER 454 Ca -0.37 0.24 -0.02 0.00 -1.23 0.00 0.00 61.79 60.41 3k40 h SER 454 Cb 1.20 0.40 -0.00 0.00 -0.44 0.00 0.00 62.40 63.56 3k40 h SER 454 CO 0.61 -0.26 -0.07 1.05 -0.53 0.00 0.00 176.83 177.63 3k40 h GLU 455 N 0.08 0.00 -0.40 2.24 9.09 -2.00 -1.42 114.58 122.16 3k40 h GLU 455 Ca 0.53 0.00 -0.00 0.00 0.05 0.00 0.00 59.36 59.94 3k40 h GLU 455 Cb 1.05 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 28.13 3k40 h GLU 455 CO -0.79 0.07 0.23 -0.44 0.05 0.00 0.00 179.01 178.14 3k40 h ASP 456 N 0.00 0.48 -0.48 3.06 3.32 -1.45 0.63 116.42 121.98 3k40 h ASP 456 Ca -0.00 -0.02 -0.06 0.00 0.02 0.00 0.00 57.03 56.97 3k40 h ASP 456 Cb 0.41 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 39.82 3k40 h ASP 456 CO 0.01 0.38 0.07 0.24 -1.72 0.00 0.00 179.24 178.22 3k40 h MET 457 N 0.56 0.80 -0.51 3.56 2.86 -1.33 0.92 114.93 121.79 3k40 h MET 457 Ca 0.15 -0.22 -0.07 0.00 -2.06 0.00 0.00 59.70 57.50 3k40 h MET 457 Cb -0.00 -0.09 -0.02 0.00 0.06 0.00 0.00 31.60 31.55 3k40 h MET 457 CO -0.03 0.81 0.06 0.93 1.06 0.00 0.00 176.91 179.74 3k40 h GLU 458 N 0.67 0.86 0.00 1.72 5.08 -1.48 0.35 114.58 121.78 3k40 h GLU 458 Ca 0.14 -0.24 -0.00 0.00 -1.00 0.00 0.00 59.36 58.26 3k40 h GLU 458 Cb 0.40 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.56 3k40 h GLU 458 CO 0.01 0.86 -0.00 -0.92 -1.00 0.00 0.00 179.01 177.96 3k40 h TYR 459 N 0.73 -0.00 -0.66 4.33 5.03 -0.71 -0.11 116.97 125.57 3k40 h TYR 459 Ca 0.15 -0.00 -0.03 0.00 2.58 0.00 0.00 58.73 61.43 3k40 h TYR 459 Cb 0.43 0.00 -0.03 0.00 1.55 0.00 0.00 36.73 38.69 3k40 h TYR 459 CO 0.03 0.08 0.28 0.77 -1.32 0.00 0.00 178.16 178.01 3k40 h SER 460 N -0.09 0.89 -0.19 -2.11 0.02 -0.75 -1.19 113.55 110.13 3k40 h SER 460 Ca -0.00 -0.16 -0.01 0.00 -0.84 0.00 0.00 61.79 60.78 3k40 h SER 460 Cb 0.09 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.39 3k40 h SER 460 CO 0.00 0.80 0.08 -0.25 -1.14 0.00 0.00 176.83 176.33 3k40 h TRP 461 N 0.92 0.28 -0.52 3.45 2.91 -0.80 -2.17 115.95 120.02 3k40 h TRP 461 Ca 0.22 -0.02 0.02 0.00 1.13 0.00 0.00 58.89 60.24 3k40 h TRP 461 Cb 0.17 -0.08 -0.03 0.00 -0.51 0.00 0.00 29.16 28.71 3k40 h TRP 461 CO 0.01 0.31 0.34 0.87 -1.03 0.00 0.00 178.44 178.94 3k40 h LYS 462 N 0.16 0.64 -0.43 2.65 1.57 -0.82 -0.74 116.57 119.60 3k40 h LYS 462 Ca 0.06 -0.04 -0.08 0.00 -1.87 0.00 0.00 60.65 58.73 3k40 h LYS 462 Cb 0.15 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 3k40 h LYS 462 CO -0.01 0.42 -0.03 1.49 -0.57 0.00 0.00 179.45 180.76 3k40 h GLU 463 N 0.66 0.78 0.12 3.15 4.57 -1.03 -0.08 114.58 122.75 3k40 h GLU 463 Ca 0.20 -0.26 0.01 0.00 -1.18 0.00 0.00 59.36 58.12 3k40 h GLU 463 Cb -0.01 -0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 28.50 3k40 h GLU 463 CO -0.05 0.86 -0.14 0.28 -1.18 0.00 0.00 179.01 178.79 3k40 h VAL 464 N 0.61 0.68 -0.91 0.32 2.07 -0.67 -0.86 116.25 117.49 3k40 h VAL 464 Ca 0.12 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.64 3k40 h VAL 464 Cb 0.53 0.68 -0.04 0.00 -1.52 0.00 0.00 31.29 30.94 3k40 h VAL 464 CO 0.03 0.00 0.56 -1.28 0.02 0.00 0.00 177.57 176.90 3k40 h SER 465 N -0.30 1.08 -0.65 0.57 0.87 -1.13 -1.71 113.55 112.28 3k40 h SER 465 Ca 0.01 -0.06 -0.07 0.00 -1.23 0.00 0.00 61.79 60.44 3k40 h SER 465 Cb 0.30 -0.27 -0.03 0.00 -0.44 0.00 0.00 62.40 61.96 3k40 h SER 465 CO -0.05 0.81 0.14 0.00 -0.53 0.00 0.00 176.83 177.19 3k40 h ALA 466 N 1.31 0.98 -0.74 6.23 0.00 -0.82 -1.15 119.26 125.08 3k40 h ALA 466 Ca 0.33 -0.25 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 3k40 h ALA 466 Cb -0.08 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.42 3k40 h ALA 466 CO -0.06 0.65 0.27 0.00 0.00 0.00 0.00 179.25 180.11 3k40 h ALA 467 N 1.13 0.96 -0.61 0.00 0.00 -0.52 -0.78 119.26 119.44 3k40 h ALA 467 Ca 0.21 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 3k40 h ALA 467 Cb 0.39 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 3k40 h ALA 467 CO 0.01 0.60 0.19 0.00 0.00 0.00 0.00 179.25 180.05 3k40 h ALA 468 N 1.14 1.20 -0.07 0.00 0.00 -1.00 0.02 119.26 120.54 3k40 h ALA 468 Ca 0.24 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 3k40 h ALA 468 Cb 0.24 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 3k40 h ALA 468 CO -0.02 0.56 0.04 -0.44 0.00 0.00 0.00 179.25 179.40 3k40 h ASP 469 N 0.89 0.09 -0.35 0.00 3.32 -0.84 -0.04 116.42 119.48 3k40 h ASP 469 Ca 0.20 -0.08 -0.05 0.00 0.02 0.00 0.00 57.03 57.13 3k40 h ASP 469 Cb 0.25 -0.02 -0.02 0.00 0.22 0.00 0.00 39.33 39.75 3k40 h ASP 469 CO -0.01 0.14 0.07 -0.08 -1.72 0.00 0.00 179.24 177.65 3k40 h GLU 470 N 0.03 0.66 -0.09 3.56 4.81 -0.65 -0.69 114.58 122.22 3k40 h GLU 470 Ca 0.03 -0.13 -0.03 0.00 -0.13 0.00 0.00 59.36 59.09 3k40 h GLU 470 Cb 0.07 -0.10 -0.00 0.00 0.63 0.00 0.00 28.75 29.35 3k40 h GLU 470 CO -0.00 0.63 -0.07 1.98 -0.73 0.00 0.00 179.01 180.81 3k40 h MET 471 N 0.64 0.20 -0.45 1.92 4.05 -0.88 -3.28 114.93 117.12 3k40 h MET 471 Ca 0.14 -0.10 0.05 0.00 -0.28 0.00 0.00 59.70 59.51 3k40 h MET 471 Cb 0.29 0.00 -0.05 0.00 -0.80 0.00 0.00 31.60 31.04 3k40 h MET 471 CO 0.00 0.61 0.18 0.93 0.23 0.00 0.00 176.91 178.86 3k40 h GLU 472 N -0.20 0.35 -0.19 0.39 5.08 -0.53 -1.98 114.58 117.50 3k40 h GLU 472 Ca 0.02 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 3k40 h GLU 472 Cb 0.57 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.74 3k40 h GLU 472 CO 0.02 0.23 0.00 1.04 -1.00 0.00 0.00 179.01 179.30 3k40 n GLN 473 N -4.98 0.61 -4.64 2.33 3.00 -0.31 -4.54 117.38 108.84 3k40 n GLN 473 Ca 0.04 0.00 -0.27 0.00 -0.01 0.00 0.00 57.00 56.75 3k40 n GLN 473 Cb 0.16 -1.09 -0.14 0.00 0.00 0.00 0.00 30.24 29.17 3k40 n GLN 473 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.06 175.85 3k40 s GLU 474 N -1.69 1.49 0.00 -1.09 2.02 -0.75 -5.06 118.70 113.62 3k40 s GLU 474 Ca 0.00 -1.09 0.25 0.00 0.02 0.00 0.00 54.97 54.15 3k40 s GLU 474 Cb 0.00 -1.71 0.39 0.00 0.10 0.00 0.00 34.13 32.91 3k40 s GLU 474 CO 0.00 0.43 1.37 1.04 0.02 0.00 0.00 175.26 178.12