#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kdz s PRO 12 N 0.00 3.35 -0.18 7.34 0.04 -1.26 -4.29 135.00 140.00 3kdz s PRO 12 Ca 0.00 1.64 -0.02 0.00 0.04 0.00 0.00 61.00 62.67 3kdz s PRO 12 Cb 0.00 -2.03 -0.01 0.00 0.04 0.00 0.00 34.50 32.51 3kdz s PRO 12 CO 0.00 -0.86 -0.10 0.08 0.04 0.00 0.00 177.00 176.16 3kdz s VAL 13 N -1.74 3.09 -0.51 -0.36 1.01 0.03 -4.98 120.40 116.94 3kdz s VAL 13 Ca 0.73 -0.62 -0.27 0.00 0.00 0.00 0.00 61.98 61.82 3kdz s VAL 13 Cb -0.25 -2.35 0.03 0.00 0.00 0.00 0.00 36.38 33.82 3kdz s VAL 13 CO 0.28 0.48 1.04 -0.55 0.00 0.00 0.00 175.10 176.35 3kdz s SER 14 N 0.96 6.49 -0.85 3.32 0.15 -1.26 -0.90 113.70 121.61 3kdz s SER 14 Ca -0.01 0.11 -0.16 0.00 0.70 0.00 0.00 55.95 56.58 3kdz s SER 14 Cb -0.15 -2.49 0.18 0.00 -1.71 0.00 0.00 66.02 61.84 3kdz s SER 14 CO -0.01 -1.23 0.91 -0.69 1.20 0.00 0.00 173.24 173.42 3kdz s VAL 15 N 4.23 5.20 -1.22 4.45 1.01 -0.59 -4.53 120.40 128.95 3kdz s VAL 15 Ca 0.40 -2.01 0.10 0.00 0.00 0.00 0.00 61.98 60.47 3kdz s VAL 15 Cb -0.09 -4.60 0.07 0.00 0.00 0.00 0.00 36.38 31.76 3kdz s VAL 15 CO 0.26 -1.23 0.80 -0.90 0.00 0.00 0.00 175.10 174.03 3kdz n ASP 16 N 5.18 1.77 -0.30 3.32 5.75 -1.26 -4.35 116.55 126.66 3kdz n ASP 16 Ca 0.16 -1.38 -0.04 0.00 -0.01 0.00 0.00 54.79 53.52 3kdz n ASP 16 Cb 0.48 0.05 -0.02 0.00 -1.03 0.00 0.00 41.12 40.60 3kdz n ASP 16 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3kdz n GLY 17 N 0.60 0.66 0.00 6.12 0.00 -1.21 -4.15 105.19 107.20 3kdz n GLY 17 Ca 0.06 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.70 3kdz n GLY 17 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3kdz n GLU 18 N -2.23 0.05 -0.01 1.61 -0.58 -1.26 -4.55 120.64 113.67 3kdz n GLU 18 Ca -0.04 0.00 0.02 0.00 -0.42 0.00 0.00 57.16 56.72 3kdz n GLU 18 Cb 0.21 -0.55 0.02 0.00 -0.57 0.00 0.00 31.44 30.55 3kdz n GLU 18 CO 0.00 0.00 0.00 0.25 -0.48 0.00 0.00 177.13 176.90 3kdz n THR 19 N -1.49 1.14 -2.08 2.62 -2.24 -1.26 -4.90 114.28 106.05 3kdz n THR 19 Ca 0.00 -1.20 -0.42 0.00 -2.27 0.00 0.00 64.05 60.16 3kdz n THR 19 Cb 0.05 0.38 -0.03 0.00 -2.10 0.00 0.00 70.33 68.64 3kdz n THR 19 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 3kdz s LEU 20 N -1.29 4.38 0.31 3.22 2.96 -1.26 -5.01 118.68 121.98 3kdz s LEU 20 Ca 0.05 2.46 0.08 0.00 -0.22 0.00 0.00 54.13 56.50 3kdz s LEU 20 Cb 0.04 -3.60 -0.03 0.00 0.50 0.00 0.00 46.19 43.11 3kdz s LEU 20 CO 0.00 -0.70 0.21 0.42 -1.32 0.00 0.00 176.35 174.97 3kdz s THR 21 N 0.89 3.61 0.18 3.68 -4.23 -1.26 -4.74 115.64 113.76 3kdz s THR 21 Ca 0.65 -1.50 -0.14 0.00 -1.18 0.00 0.00 61.69 59.53 3kdz s THR 21 Cb -0.39 -3.16 0.07 0.00 1.34 0.00 0.00 72.50 70.36 3kdz s THR 21 CO 0.33 -0.23 1.83 0.58 -0.54 0.00 0.00 174.62 176.59 3kdz h VAL 22 N 1.42 1.10 -0.68 2.29 2.07 -1.93 -1.52 116.25 119.00 3kdz h VAL 22 Ca -0.45 -0.24 -0.03 0.00 0.82 0.00 0.00 66.70 66.80 3kdz h VAL 22 Cb 1.25 0.35 -0.03 0.00 -1.52 0.00 0.00 31.29 31.34 3kdz h VAL 22 CO 0.60 0.13 0.31 -0.08 0.02 0.00 0.00 177.57 178.55 3kdz h GLU 23 N 0.69 0.97 -0.71 1.57 4.57 -1.95 -2.18 114.58 117.53 3kdz h GLU 23 Ca 0.21 -0.14 -0.05 0.00 -1.18 0.00 0.00 59.36 58.20 3kdz h GLU 23 Cb -0.04 -0.18 -0.03 0.00 -0.16 0.00 0.00 28.75 28.35 3kdz h GLU 23 CO -0.07 0.76 0.24 0.00 -1.18 0.00 0.00 179.01 178.76 3kdz h ALA 24 N 1.38 0.93 -0.87 2.92 0.00 -1.77 -1.06 119.26 120.78 3kdz h ALA 24 Ca 0.23 -0.21 0.01 0.00 0.00 0.00 0.00 54.91 54.94 3kdz h ALA 24 Cb 0.12 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 17.59 3kdz h ALA 24 CO -0.03 0.59 0.57 0.28 0.00 0.00 0.00 179.25 180.67 3kdz h VAL 25 N 1.04 1.23 -0.60 0.00 2.07 -0.72 -1.07 116.25 118.20 3kdz h VAL 25 Ca 0.23 -0.42 -0.09 0.00 0.82 0.00 0.00 66.70 67.25 3kdz h VAL 25 Cb 0.28 -0.06 -0.02 0.00 -1.52 0.00 0.00 31.29 29.97 3kdz h VAL 25 CO -0.01 0.22 0.03 0.03 0.02 0.00 0.00 177.57 177.86 3kdz h ARG 26 N 1.19 1.02 -0.40 1.57 3.08 -0.81 -0.10 114.38 119.92 3kdz h ARG 26 Ca 0.32 -0.30 0.01 0.00 0.07 0.00 0.00 59.98 60.08 3kdz h ARG 26 Cb -0.13 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 29.79 3kdz h ARG 26 CO -0.07 0.98 0.25 0.00 -1.07 0.00 0.00 179.97 180.06 3kdz h ARG 27 N 0.94 0.49 -0.46 0.04 3.08 -0.04 0.87 114.38 119.31 3kdz h ARG 27 Ca 0.18 -0.03 -0.05 0.00 0.07 0.00 0.00 59.98 60.15 3kdz h ARG 27 Cb 0.50 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.42 3kdz h ARG 27 CO 0.02 0.32 0.11 0.28 -1.07 0.00 0.00 179.97 179.64 3kdz h VAL 28 N 0.51 1.24 -0.01 2.04 2.07 -0.98 -1.02 116.25 120.10 3kdz h VAL 28 Ca 0.15 -0.83 -0.05 0.00 0.82 0.00 0.00 66.70 66.80 3kdz h VAL 28 Cb -0.02 0.90 0.00 0.00 -1.52 0.00 0.00 31.29 30.65 3kdz h VAL 28 CO -0.06 0.30 -0.18 0.00 0.02 0.00 0.00 177.57 177.65 3kdz h ALA 29 N 0.97 0.03 0.00 1.67 0.00 -0.64 -3.17 119.26 118.12 3kdz h ALA 29 Ca 0.14 -0.44 -0.04 0.00 0.00 0.00 0.00 54.91 54.57 3kdz h ALA 29 Cb 0.33 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 3kdz h ALA 29 CO 0.00 0.03 -0.23 0.93 0.00 0.00 0.00 179.25 179.98 3kdz h GLU 30 N -0.55 0.00 -0.64 0.00 5.08 0.68 -3.40 114.58 115.75 3kdz h GLU 30 Ca -0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 3kdz h GLU 30 Cb 0.93 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.18 3kdz h GLU 30 CO 0.04 0.95 0.00 0.39 -1.00 0.00 0.00 179.01 179.38 3kdz n GLU 31 N -4.59 3.93 -2.02 2.33 1.02 -0.46 -4.93 120.64 115.93 3kdz n GLU 31 Ca -0.14 -2.71 -0.17 0.00 -0.02 0.00 0.00 57.16 54.12 3kdz n GLU 31 Cb 0.49 -1.99 -0.04 0.00 -0.02 0.00 0.00 31.44 29.89 3kdz n GLU 31 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3kdz n ARG 32 N 0.83 -1.69 -1.63 3.49 5.12 -1.09 -4.88 116.66 116.82 3kdz n ARG 32 Ca 0.24 0.90 -0.46 0.00 -1.93 0.00 0.00 57.85 56.60 3kdz n ARG 32 Cb 0.94 -5.40 -0.03 0.00 -1.16 0.00 0.00 32.46 26.81 3kdz n ARG 32 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3kdz n ALA 33 N -0.79 0.25 -1.76 7.54 0.00 -0.77 -4.91 120.51 120.07 3kdz n ALA 33 Ca -0.19 0.42 -0.38 0.00 0.00 0.00 0.00 53.44 53.30 3kdz n ALA 33 Cb 0.61 -2.15 0.00 0.00 0.00 0.00 0.00 19.45 17.92 3kdz n ALA 33 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3kdz s THR 34 N -0.30 2.80 0.02 0.00 2.01 -1.26 -4.55 115.64 114.36 3kdz s THR 34 Ca 0.68 0.61 0.06 0.00 0.31 0.00 0.00 61.69 63.35 3kdz s THR 34 Cb -0.72 -3.31 -0.03 0.00 0.01 0.00 0.00 72.50 68.44 3kdz s THR 34 CO 0.53 0.00 -0.16 0.54 -0.69 0.00 0.00 174.62 174.84 3kdz s VAL 35 N -1.46 2.94 -0.05 3.82 0.11 -1.26 -0.79 120.40 123.71 3kdz s VAL 35 Ca 0.65 -1.07 -0.01 0.00 -2.93 0.00 0.00 61.98 58.62 3kdz s VAL 35 Cb -0.32 -2.23 0.03 0.00 -1.53 0.00 0.00 36.38 32.32 3kdz s VAL 35 CO 0.39 0.38 0.01 -0.62 -3.33 0.00 0.00 175.10 171.93 3kdz s ASP 36 N -1.34 1.01 -0.36 3.54 2.15 -0.08 -4.86 116.67 116.73 3kdz s ASP 36 Ca 0.15 -0.02 -0.17 0.00 0.43 0.00 0.00 52.55 52.94 3kdz s ASP 36 Cb -0.11 -0.28 -0.00 0.00 -0.30 0.00 0.00 42.92 42.23 3kdz s ASP 36 CO 0.05 -0.17 0.44 0.54 -0.17 0.00 0.00 175.17 175.86 3kdz s VAL 37 N 1.62 5.09 0.41 1.11 0.11 -1.26 -1.54 120.40 125.95 3kdz s VAL 37 Ca -0.01 0.07 -0.25 0.00 -2.93 0.00 0.00 61.98 58.85 3kdz s VAL 37 Cb -0.13 -3.92 -0.10 0.00 -1.53 0.00 0.00 36.38 30.70 3kdz s VAL 37 CO -0.03 -0.21 1.23 -2.65 -3.33 0.00 0.00 175.10 170.10 3kdz n PRO 38 N 5.57 1.83 -0.20 1.54 -0.02 -1.26 -4.76 135.00 137.70 3kdz n PRO 38 Ca -0.07 0.65 0.13 0.00 -2.02 0.00 0.00 63.50 62.19 3kdz n PRO 38 Cb 0.49 -2.31 0.44 0.00 -0.02 0.00 0.00 33.50 32.09 3kdz n PRO 38 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3kdz h ALA 39 N 2.02 1.96 -0.78 3.55 0.00 -1.98 0.41 119.26 124.44 3kdz h ALA 39 Ca -0.47 0.00 0.03 0.00 0.00 0.00 0.00 54.91 54.47 3kdz h ALA 39 Cb 1.30 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.95 3kdz h ALA 39 CO 0.60 -0.16 0.50 1.05 0.00 0.00 0.00 179.25 181.23 3kdz h GLU 40 N 0.56 0.96 -0.33 0.00 9.09 -1.99 0.46 114.58 123.33 3kdz h GLU 40 Ca 0.39 -0.06 -0.09 0.00 0.05 0.00 0.00 59.36 59.65 3kdz h GLU 40 Cb 0.72 -0.22 -0.01 0.00 -1.65 0.00 0.00 28.75 27.59 3kdz h GLU 40 CO -0.15 0.64 -0.13 0.77 0.05 0.00 0.00 179.01 180.19 3kdz h SER 41 N 0.99 0.69 0.30 3.06 0.02 -0.61 0.10 113.55 118.10 3kdz h SER 41 Ca 0.31 -0.39 -0.01 0.00 -0.84 0.00 0.00 61.79 60.86 3kdz h SER 41 Cb -0.02 -0.19 -0.00 0.00 0.14 0.00 0.00 62.40 62.33 3kdz h SER 41 CO -0.10 0.92 -0.17 0.40 -1.14 0.00 0.00 176.83 176.75 3kdz h ILE 42 N 0.45 0.64 -0.16 3.27 2.04 -0.20 0.21 117.51 123.77 3kdz h ILE 42 Ca 0.08 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.95 3kdz h ILE 42 Cb 0.65 0.64 -0.02 0.00 -0.74 0.00 0.00 36.82 37.35 3kdz h ILE 42 CO 0.04 0.00 0.05 0.00 0.00 0.00 0.00 178.15 178.24 3kdz h ALA 43 N 0.25 0.18 0.00 1.87 0.00 -0.09 0.12 119.26 121.58 3kdz h ALA 43 Ca -0.03 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 3kdz h ALA 43 Cb 0.36 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 3kdz h ALA 43 CO 0.04 -0.38 -0.04 -0.22 0.00 0.00 0.00 179.25 178.64 3kdz h LYS 44 N 0.13 0.00 -0.04 0.00 3.64 -0.85 -0.24 116.57 119.20 3kdz h LYS 44 Ca 0.07 0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.40 3kdz h LYS 44 Cb 0.04 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.87 3kdz h LYS 44 CO -0.08 0.04 -0.17 0.00 -2.27 0.00 0.00 179.45 176.97 3kdz h ALA 45 N 1.96 0.08 -0.56 5.00 0.00 0.96 -2.92 119.26 123.77 3kdz h ALA 45 Ca -0.00 -0.39 -0.00 0.00 0.00 0.00 0.00 54.91 54.52 3kdz h ALA 45 Cb 0.09 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 3kdz h ALA 45 CO 0.01 0.03 0.34 0.37 0.00 0.00 0.00 179.25 180.00 3kdz h GLN 46 N -0.36 0.76 0.00 0.00 4.15 -0.20 -2.48 115.11 116.98 3kdz h GLN 46 Ca -0.01 -0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.35 3kdz h GLN 46 Cb 0.82 -0.16 0.00 0.00 0.21 0.00 0.00 27.48 28.35 3kdz h GLN 46 CO 0.04 0.53 0.00 1.17 -1.93 0.00 0.00 178.83 178.64 3kdz n LYS 47 N -4.42 0.00 -0.07 1.69 3.00 -0.16 -1.00 118.16 117.20 3kdz n LYS 47 Ca 0.05 0.63 0.25 0.00 -0.00 0.00 0.00 58.31 59.24 3kdz n LYS 47 Cb 0.07 -1.50 0.66 0.00 0.00 0.00 0.00 35.03 34.26 3kdz n LYS 47 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 3kdz h SER 48 N 0.00 0.00 -0.49 3.14 4.64 -1.43 0.55 113.55 119.96 3kdz h SER 48 Ca 0.00 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.25 3kdz h SER 48 Cb 0.00 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.07 3kdz h SER 48 CO 0.00 0.00 0.03 -0.09 -0.87 0.00 0.00 176.83 175.90 3kdz h ARG 49 N 0.00 0.84 -0.26 4.77 9.65 -0.59 -1.71 114.38 127.09 3kdz h ARG 49 Ca 0.35 -0.26 -0.19 0.00 -1.10 0.00 0.00 59.98 58.78 3kdz h ARG 49 Cb 1.84 -0.08 0.00 0.00 -1.39 0.00 0.00 29.97 30.34 3kdz h ARG 49 CO -0.00 0.87 -0.57 0.93 2.80 0.00 0.00 179.97 184.00 3kdz h GLU 50 N 0.71 0.82 0.13 0.20 5.08 0.10 -0.35 114.58 121.27 3kdz h GLU 50 Ca 0.14 -0.54 0.01 0.00 -1.00 0.00 0.00 59.36 57.98 3kdz h GLU 50 Cb 0.48 0.07 -0.05 0.00 0.50 0.00 0.00 28.75 29.75 3kdz h GLU 50 CO 0.02 1.16 -0.52 0.82 -1.00 0.00 0.00 179.01 179.49 3kdz h ILE 51 N 0.62 0.02 -0.11 3.13 2.04 -1.22 0.74 117.51 122.73 3kdz h ILE 51 Ca 0.01 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.91 3kdz h ILE 51 Cb 1.17 0.02 -0.06 0.00 -0.74 0.00 0.00 36.82 37.21 3kdz h ILE 51 CO 0.12 0.00 -0.41 0.15 0.00 0.00 0.00 178.15 178.02 3kdz h PHE 52 N -0.75 -1.16 -0.31 1.37 3.57 -1.21 -1.88 116.94 116.57 3kdz h PHE 52 Ca -0.00 0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.54 3kdz h PHE 52 Cb 0.76 0.52 -0.02 0.00 2.79 0.00 0.00 35.95 40.01 3kdz h PHE 52 CO -0.44 -0.47 0.21 0.93 -2.23 0.00 0.00 178.31 176.30 3kdz h GLU 53 N -0.49 0.41 0.00 1.11 5.08 -0.67 0.70 114.58 120.72 3kdz h GLU 53 Ca 0.07 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 3kdz h GLU 53 Cb 0.62 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.78 3kdz h GLU 53 CO -0.38 0.27 0.00 0.78 -1.00 0.00 0.00 179.01 178.68 3kdz h GLY 54 N 0.43 0.00 0.00 -3.84 0.00 0.13 0.54 103.07 100.33 3kdz h GLY 54 Ca 0.11 0.00 -0.22 0.00 0.00 0.00 0.00 47.33 47.23 3kdz h GLY 54 CO -0.02 0.00 -1.81 1.39 0.00 0.00 0.00 176.54 176.10 3kdz n ILE 55 N -2.35 0.81 0.27 2.60 5.41 0.13 -4.39 119.36 121.84 3kdz n ILE 55 Ca -0.01 -0.30 0.14 0.00 1.00 0.00 0.00 62.75 63.58 3kdz n ILE 55 Cb 0.07 -1.09 0.68 0.00 -0.71 0.00 0.00 39.64 38.58 3kdz n ILE 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3kdz h ALA 56 N -0.07 1.00 0.24 -1.39 0.00 0.89 -2.27 119.26 117.66 3kdz h ALA 56 Ca -0.32 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.59 3kdz h ALA 56 Cb 1.47 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 19.23 3kdz h ALA 56 CO -0.07 0.00 -0.43 0.93 0.00 0.00 0.00 179.25 179.68 3kdz h GLU 57 N 0.00 -0.69 -7.07 0.00 4.39 -0.14 -3.41 114.58 107.65 3kdz h GLU 57 Ca 0.00 0.05 -0.38 0.00 0.34 0.00 0.00 59.36 59.37 3kdz h GLU 57 Cb 0.15 0.16 0.21 0.00 -0.10 0.00 0.00 28.75 29.17 3kdz h GLU 57 CO 0.00 -0.46 -0.10 -0.65 -1.16 0.00 0.00 179.01 176.64 3kdz s GLN 58 N -5.30 -3.01 -0.24 2.33 -0.21 -0.85 -4.92 119.66 107.46 3kdz s GLN 58 Ca -0.14 0.00 0.14 0.00 0.02 0.00 0.00 55.36 55.38 3kdz s GLN 58 Cb 0.04 -1.38 0.70 0.00 1.00 0.00 0.00 33.01 33.37 3kdz s GLN 58 CO 0.50 -4.90 1.64 -1.71 -2.12 0.00 0.00 175.29 168.70 3kdz n ASN 59 N -5.63 4.81 -4.74 5.90 5.15 -1.26 -5.00 115.26 114.49 3kdz n ASN 59 Ca 0.14 -3.06 -0.38 0.00 -0.60 0.00 0.00 54.58 50.69 3kdz n ASN 59 Cb 0.61 -0.65 0.06 0.00 -0.53 0.00 0.00 39.78 39.27 3kdz n ASN 59 CO 0.00 0.00 0.00 0.27 1.40 0.00 0.00 177.26 178.93 3kdz s ILE 60 N -2.86 2.01 0.28 -1.44 -5.25 -1.26 -4.95 121.20 107.73 3kdz s ILE 60 Ca 0.50 0.01 -0.29 0.00 -0.99 0.00 0.00 60.65 59.88 3kdz s ILE 60 Cb 0.40 -3.00 -0.10 0.00 2.95 0.00 0.00 42.46 42.70 3kdz s ILE 60 CO 0.12 -0.00 1.40 -2.84 -1.79 0.00 0.00 174.94 171.84 3kdz s PRO 61 N -3.17 4.28 -0.24 0.37 0.02 -1.26 -4.90 135.00 130.11 3kdz s PRO 61 Ca 0.78 2.29 -0.17 0.00 0.02 0.00 0.00 61.00 63.92 3kdz s PRO 61 Cb -0.39 -3.09 0.07 0.00 0.02 0.00 0.00 34.50 31.10 3kdz s PRO 61 CO 0.44 -0.36 0.61 0.42 -0.33 0.00 0.00 177.00 177.78 3kdz s ILE 62 N -0.40 -0.00 0.38 2.83 1.01 -1.26 -5.02 121.20 118.74 3kdz s ILE 62 Ca 0.56 0.02 -0.27 0.00 0.00 0.00 0.00 60.65 60.96 3kdz s ILE 62 Cb -0.42 -0.87 -0.09 0.00 0.01 0.00 0.00 42.46 41.09 3kdz s ILE 62 CO 0.47 0.01 1.30 0.12 0.00 0.00 0.00 174.94 176.84 3kdz s PHE 63 N 0.99 2.90 0.00 3.97 5.36 -1.26 -1.31 117.98 128.63 3kdz s PHE 63 Ca -0.05 1.42 0.00 0.00 -0.96 0.00 0.00 56.93 57.33 3kdz s PHE 63 Cb -0.05 -3.66 0.00 0.00 -0.34 0.00 0.00 43.02 38.96 3kdz s PHE 63 CO -0.09 -1.99 0.00 0.41 -1.46 0.00 0.00 175.22 172.09 3kdz n GLY 64 N 0.70 0.22 0.63 13.12 0.00 -1.25 -4.59 105.19 114.01 3kdz n GLY 64 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 3kdz n GLY 64 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 3kdz n VAL 65 N -2.06 0.00 -1.17 1.61 3.14 -1.20 -4.33 118.33 114.31 3kdz n VAL 65 Ca 0.00 0.00 0.09 0.00 -2.96 0.00 0.00 64.34 61.47 3kdz n VAL 65 Cb 0.10 -0.62 0.13 0.00 -1.06 0.00 0.00 33.84 32.38 3kdz n VAL 65 CO 0.00 0.00 0.00 0.35 -6.46 0.00 0.00 176.83 170.72 3kdz n THR 66 N -2.37 1.69 -4.11 1.55 -2.24 -0.42 -4.82 114.28 103.55 3kdz n THR 66 Ca 0.00 -2.04 -0.13 0.00 -2.27 0.00 0.00 64.05 59.61 3kdz n THR 66 Cb 0.28 -0.16 -0.04 0.00 -2.10 0.00 0.00 70.33 68.30 3kdz n THR 66 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3kdz n THR 67 N -1.29 0.00 -1.98 4.28 -2.24 -1.15 -0.36 114.28 111.54 3kdz n THR 67 Ca 0.14 -1.56 -0.30 0.00 -2.27 0.00 0.00 64.05 60.07 3kdz n THR 67 Cb 0.65 0.82 0.20 0.00 -2.10 0.00 0.00 70.33 69.90 3kdz n THR 67 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3kdz s GLY 68 N -2.59 1.82 -0.09 3.38 0.00 0.14 -4.31 107.32 105.68 3kdz s GLY 68 Ca 0.26 -1.37 0.01 0.00 0.00 0.00 0.00 44.72 43.61 3kdz s GLY 68 CO 0.18 -0.55 -0.10 -0.19 0.00 0.00 0.00 173.10 172.44 3kdz s TYR 69 N -3.91 2.85 0.00 1.90 2.02 -1.26 -3.90 117.35 115.04 3kdz s TYR 69 Ca 0.76 -0.26 0.00 0.00 -0.37 0.00 0.00 57.07 57.20 3kdz s TYR 69 Cb -0.02 -1.76 0.00 0.00 -0.40 0.00 0.00 41.96 39.78 3kdz s TYR 69 CO 0.53 0.09 0.00 0.41 -1.57 0.00 0.00 175.55 175.01 3kdz n GLY 70 N 2.80 0.59 0.34 0.71 0.00 -1.26 -3.21 105.19 105.16 3kdz n GLY 70 Ca -0.18 -0.88 0.20 0.00 0.00 0.00 0.00 46.02 45.16 3kdz n GLY 70 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3kdz h GLU 71 N 0.00 0.00 -0.97 1.61 4.57 -1.93 -1.99 114.58 115.86 3kdz h GLU 71 Ca 0.00 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.16 3kdz h GLU 71 Cb 0.00 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.58 3kdz h GLU 71 CO 0.00 0.00 0.03 -1.33 -1.18 0.00 0.00 179.01 176.53 3kdz n MET 72 N -3.07 1.35 0.03 1.92 2.81 -1.20 -3.98 117.12 114.98 3kdz n MET 72 Ca -0.02 -0.37 0.07 0.00 -1.81 0.00 0.00 57.70 55.56 3kdz n MET 72 Cb 0.18 -1.42 0.29 0.00 -0.71 0.00 0.00 33.22 31.56 3kdz n MET 72 CO 0.00 0.00 0.00 1.51 1.51 0.00 0.00 175.97 178.99 3kdz n ILE 73 N 0.16 1.19 1.56 2.02 3.06 -0.75 -1.00 119.36 125.59 3kdz n ILE 73 Ca 0.05 0.33 0.14 0.00 -2.50 0.00 0.00 62.75 60.77 3kdz n ILE 73 Cb 0.47 -1.17 0.78 0.00 0.54 0.00 0.00 39.64 40.25 3kdz n ILE 73 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 3kdz n TYR 74 N -1.66 0.00 -3.30 9.51 4.11 -1.26 -4.47 117.16 120.10 3kdz n TYR 74 Ca 0.02 0.00 -0.43 0.00 -0.00 0.00 0.00 57.90 57.49 3kdz n TYR 74 Cb 0.14 -0.15 -0.08 0.00 -0.00 0.00 0.00 39.34 39.25 3kdz n TYR 74 CO 0.00 0.00 0.00 -1.64 -0.00 0.00 0.00 176.86 175.22 3kdz s MET 75 N -2.29 3.15 0.02 -3.48 -1.94 -0.17 -5.00 119.30 109.59 3kdz s MET 75 Ca 0.35 -0.69 -0.28 0.00 -1.71 0.00 0.00 55.69 53.36 3kdz s MET 75 Cb 0.19 -3.96 -0.04 0.00 2.01 0.00 0.00 34.83 33.04 3kdz s MET 75 CO 0.38 -0.86 0.90 -0.65 -0.01 0.00 0.00 175.02 174.78 3kdz s GLN 76 N 2.22 4.56 -0.06 2.03 -1.52 -1.26 -0.68 119.66 124.95 3kdz s GLN 76 Ca 0.13 1.29 0.04 0.00 -1.95 0.00 0.00 55.36 54.87 3kdz s GLN 76 Cb -0.17 -3.43 0.00 0.00 -0.22 0.00 0.00 33.01 29.20 3kdz s GLN 76 CO 0.14 0.08 -0.17 0.08 -0.25 0.00 0.00 175.29 175.17 3kdz s VAL 77 N 0.60 1.46 0.69 1.09 1.01 0.51 -4.94 120.40 120.83 3kdz s VAL 77 Ca 0.46 -0.71 -0.11 0.00 0.00 0.00 0.00 61.98 61.63 3kdz s VAL 77 Cb -0.21 -1.28 0.00 0.00 0.00 0.00 0.00 36.38 34.90 3kdz s VAL 77 CO 0.26 0.42 1.06 -0.62 0.00 0.00 0.00 175.10 176.23 3kdz s ASP 78 N 0.27 5.50 0.00 3.32 -1.08 -1.26 -4.44 116.67 118.98 3kdz s ASP 78 Ca -0.10 1.42 0.21 0.00 -0.52 0.00 0.00 52.55 53.57 3kdz s ASP 78 Cb -0.14 -2.31 1.13 0.00 -1.46 0.00 0.00 42.92 40.14 3kdz s ASP 78 CO 0.04 -1.34 1.67 0.29 0.52 0.00 0.00 175.17 176.34 3kdz n LYS 79 N -3.04 0.42 0.10 4.34 5.02 -1.26 -4.15 118.16 119.58 3kdz n LYS 79 Ca 0.07 0.06 -0.13 0.00 -2.02 0.00 0.00 58.31 56.29 3kdz n LYS 79 Cb 0.55 -1.50 -0.06 0.00 -0.02 0.00 0.00 35.03 34.00 3kdz n LYS 79 CO 0.00 0.00 0.00 0.77 -0.52 0.00 0.00 177.40 177.65 3kdz h SER 80 N 0.00 -1.00 -2.10 4.39 0.02 -2.01 -3.05 113.55 109.80 3kdz h SER 80 Ca 0.00 0.12 -0.76 0.00 -0.84 0.00 0.00 61.79 60.31 3kdz h SER 80 Cb 0.13 0.39 -0.29 0.00 0.14 0.00 0.00 62.40 62.77 3kdz h SER 80 CO 0.00 -0.42 0.82 0.29 -1.14 0.00 0.00 176.83 176.38 3kdz n LYS 81 N -5.43 4.03 0.06 3.45 4.76 -1.26 -4.78 118.16 118.99 3kdz n LYS 81 Ca -0.06 -4.19 -0.11 0.00 -2.87 0.00 0.00 58.31 51.08 3kdz n LYS 81 Cb 0.34 -2.36 -0.04 0.00 -1.84 0.00 0.00 35.03 31.13 3kdz n LYS 81 CO 0.00 0.00 0.00 1.49 -1.37 0.00 0.00 177.40 177.52 3kdz h GLU 82 N 3.51 -0.31 -0.24 1.97 4.81 -1.79 -1.44 114.58 121.10 3kdz h GLU 82 Ca 0.51 0.02 -0.07 0.00 -0.13 0.00 0.00 59.36 59.69 3kdz h GLU 82 Cb 0.25 0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.68 3kdz h GLU 82 CO 1.24 -0.20 -0.16 0.28 -0.73 0.00 0.00 179.01 179.44 3kdz h VAL 83 N -0.32 1.23 -0.22 0.32 2.07 -1.87 -2.91 116.25 114.55 3kdz h VAL 83 Ca 0.06 -1.02 -0.14 0.00 0.82 0.00 0.00 66.70 66.41 3kdz h VAL 83 Cb 0.39 1.23 -0.01 0.00 -1.52 0.00 0.00 31.29 31.38 3kdz h VAL 83 CO -0.18 0.33 -0.46 -0.08 0.02 0.00 0.00 177.57 177.20 3kdz h GLU 84 N 0.37 0.56 -0.62 1.57 4.81 -1.79 -2.25 114.58 117.24 3kdz h GLU 84 Ca 0.07 -0.31 -0.01 0.00 -0.13 0.00 0.00 59.36 58.98 3kdz h GLU 84 Cb 0.50 0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.87 3kdz h GLU 84 CO 0.03 0.90 0.36 1.25 -0.73 0.00 0.00 179.01 180.82 3kdz h LEU 85 N 0.45 0.75 -0.57 1.64 5.85 -1.07 0.20 115.31 122.57 3kdz h LEU 85 Ca 0.03 -0.08 -0.05 0.00 0.84 0.00 0.00 57.88 58.63 3kdz h LEU 85 Cb 0.97 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.79 3kdz h LEU 85 CO 0.09 0.61 0.17 1.56 -0.34 0.00 0.00 178.44 180.53 3kdz h GLN 86 N 0.83 0.89 -0.54 1.25 1.08 -1.51 -2.33 115.11 114.78 3kdz h GLN 86 Ca 0.22 -0.19 -0.06 0.00 -1.45 0.00 0.00 58.65 57.17 3kdz h GLN 86 Cb 0.01 -0.13 -0.02 0.00 -0.05 0.00 0.00 27.48 27.29 3kdz h GLN 86 CO -0.04 0.80 0.12 1.15 -0.95 0.00 0.00 178.83 179.91 3kdz h THR 87 N 0.80 1.25 -0.80 -0.54 2.02 -0.77 -1.71 112.91 113.15 3kdz h THR 87 Ca 0.18 -0.90 -0.03 0.00 0.77 0.00 0.00 66.41 66.43 3kdz h THR 87 Cb 0.29 0.80 -0.04 0.00 -1.74 0.00 0.00 68.15 67.46 3kdz h THR 87 CO -0.01 0.33 0.38 0.78 0.37 0.00 0.00 175.52 177.37 3kdz h ASN 88 N 0.76 1.05 0.36 4.18 4.21 -0.58 -1.98 115.58 123.58 3kdz h ASN 88 Ca 0.17 -0.14 -0.02 0.00 1.21 0.00 0.00 56.30 57.52 3kdz h ASN 88 Cb 0.36 -0.27 0.00 0.00 -1.12 0.00 0.00 38.32 37.29 3kdz h ASN 88 CO 0.00 0.90 -0.17 0.25 -1.29 0.00 0.00 177.43 177.12 3kdz h LEU 89 N 1.14 -0.41 -1.47 1.61 5.85 -1.21 -1.21 115.31 119.61 3kdz h LEU 89 Ca 0.28 -0.14 0.07 0.00 0.84 0.00 0.00 57.88 58.93 3kdz h LEU 89 Cb 0.12 0.11 -0.04 0.00 0.37 0.00 0.00 40.66 41.22 3kdz h LEU 89 CO -0.03 -0.05 0.44 0.58 -0.34 0.00 0.00 178.44 179.03 3kdz h VAL 90 N -0.80 0.98 0.25 1.05 2.07 -1.32 -1.76 116.25 116.72 3kdz h VAL 90 Ca -0.05 -0.22 -0.01 0.00 0.82 0.00 0.00 66.70 67.24 3kdz h VAL 90 Cb 0.52 0.29 0.00 0.00 -1.52 0.00 0.00 31.29 30.59 3kdz h VAL 90 CO 0.08 0.12 -0.12 0.03 0.02 0.00 0.00 177.57 177.69 3kdz h ARG 91 N 0.63 -0.33 -0.16 1.57 3.08 -1.34 -2.71 114.38 115.12 3kdz h ARG 91 Ca 0.29 0.02 0.05 0.00 0.07 0.00 0.00 59.98 60.41 3kdz h ARG 91 Cb 0.34 0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.46 3kdz h ARG 91 CO -0.09 -0.22 0.29 0.66 -1.07 0.00 0.00 179.97 179.54 3kdz h SER 92 N -1.01 0.00 0.09 7.04 4.64 -1.20 -0.42 113.55 122.69 3kdz h SER 92 Ca -0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.29 3kdz h SER 92 Cb 0.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.35 3kdz h SER 92 CO 0.06 0.00 -0.83 1.41 -0.87 0.00 0.00 176.83 176.60 3kdz n HIS 93 N -3.40 0.00 -2.38 4.77 8.25 -0.67 -4.56 115.22 117.23 3kdz n HIS 93 Ca 0.01 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.05 3kdz n HIS 93 Cb 0.40 -0.04 0.00 0.00 1.12 0.00 0.00 29.99 31.46 3kdz n HIS 93 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 3kdz n SER 94 N -1.29 4.69 -1.54 0.41 7.64 -0.17 -4.14 113.62 119.22 3kdz n SER 94 Ca 0.05 -2.91 -0.08 0.00 1.01 0.00 0.00 58.87 56.94 3kdz n SER 94 Cb 0.35 -1.71 0.09 0.00 -1.01 0.00 0.00 64.21 61.93 3kdz n SER 94 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3kdz n ALA 95 N 7.52 4.01 -1.79 -0.43 0.00 -1.26 -4.99 120.51 123.56 3kdz n ALA 95 Ca 0.49 -3.37 -0.35 0.00 0.00 0.00 0.00 53.44 50.21 3kdz n ALA 95 Cb 0.44 -0.43 -0.04 0.00 0.00 0.00 0.00 19.45 19.42 3kdz n ALA 95 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3kdz s GLY 96 N -3.34 2.61 0.36 0.00 0.00 -1.26 -4.89 107.32 100.80 3kdz s GLY 96 Ca 0.42 0.63 0.04 0.00 0.00 0.00 0.00 44.72 45.81 3kdz s GLY 96 CO -0.03 1.00 0.15 -1.34 0.00 0.00 0.00 173.10 172.88 3kdz s VAL 97 N -1.84 0.50 0.00 1.40 -7.23 -0.76 -4.89 120.40 107.58 3kdz s VAL 97 Ca 0.62 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.79 3kdz s VAL 97 Cb -0.18 -2.44 0.00 0.00 0.56 0.00 0.00 36.38 34.31 3kdz s VAL 97 CO 0.23 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.63 3kdz n GLY 98 N -0.77 -1.88 3.78 2.32 0.00 -1.26 -0.37 105.19 107.01 3kdz n GLY 98 Ca -0.02 -1.71 -0.31 0.00 0.00 0.00 0.00 46.02 43.98 3kdz n GLY 98 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3kdz s PRO 99 N 0.00 2.26 0.25 1.61 0.04 -1.26 -4.56 135.00 133.34 3kdz s PRO 99 Ca 0.00 0.99 -0.20 0.00 0.04 0.00 0.00 61.00 61.83 3kdz s PRO 99 Cb 0.00 -1.91 -0.09 0.00 0.04 0.00 0.00 34.50 32.54 3kdz s PRO 99 CO 0.00 -1.59 0.76 -0.51 0.04 0.00 0.00 177.00 175.70 3kdz s LEU 100 N -5.85 4.30 0.82 -3.56 1.43 -1.26 0.15 118.68 114.71 3kdz s LEU 100 Ca 0.61 1.46 -0.10 0.00 -1.03 0.00 0.00 54.13 55.06 3kdz s LEU 100 Cb -0.16 -3.72 0.09 0.00 0.03 0.00 0.00 46.19 42.42 3kdz s LEU 100 CO 0.56 -0.02 1.10 -0.36 0.23 0.00 0.00 176.35 177.86 3kdz s PHE 101 N -1.61 2.32 0.69 0.29 0.40 0.13 -4.83 117.98 115.38 3kdz s PHE 101 Ca 0.46 1.58 -0.11 0.00 -0.60 0.00 0.00 56.93 58.26 3kdz s PHE 101 Cb -0.16 -3.12 0.00 0.00 0.51 0.00 0.00 43.02 40.25 3kdz s PHE 101 CO 0.21 -2.10 1.07 0.00 0.70 0.00 0.00 175.22 175.09 3kdz s ALA 102 N -2.84 2.85 0.16 5.36 0.00 -1.26 -4.73 121.76 121.30 3kdz s ALA 102 Ca 0.63 -0.17 -0.25 0.00 0.00 0.00 0.00 51.96 52.16 3kdz s ALA 102 Cb -0.19 -3.08 0.03 0.00 0.00 0.00 0.00 23.12 19.88 3kdz s ALA 102 CO 0.57 -1.07 1.58 1.49 0.00 0.00 0.00 175.76 178.33 3kdz h GLU 103 N -0.60 -0.29 -0.42 0.00 4.57 -1.95 0.21 114.58 116.10 3kdz h GLU 103 Ca -0.45 0.02 -0.01 0.00 -1.18 0.00 0.00 59.36 57.74 3kdz h GLU 103 Cb 1.23 0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 29.86 3kdz h GLU 103 CO 0.62 -0.19 0.22 0.38 -1.18 0.00 0.00 179.01 178.85 3kdz h ASP 104 N -0.30 0.51 -0.33 1.04 3.04 -1.94 -1.24 116.42 117.21 3kdz h ASP 104 Ca 0.15 -0.03 -0.09 0.00 -3.24 0.00 0.00 57.03 53.82 3kdz h ASP 104 Cb 0.57 -0.13 -0.01 0.00 -1.04 0.00 0.00 39.33 38.72 3kdz h ASP 104 CO -0.56 0.43 -0.15 -0.33 -2.04 0.00 0.00 179.24 176.58 3kdz h GLU 105 N 0.58 0.68 -0.55 4.15 5.08 -1.42 -2.14 114.58 120.97 3kdz h GLU 105 Ca 0.15 -0.30 -0.07 0.00 -1.00 0.00 0.00 59.36 58.15 3kdz h GLU 105 Cb 0.04 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.24 3kdz h GLU 105 CO -0.02 0.89 0.08 0.00 -1.00 0.00 0.00 179.01 178.95 3kdz h ALA 106 N 0.78 1.10 -0.25 3.43 0.00 -0.24 -2.42 119.26 121.65 3kdz h ALA 106 Ca 0.07 -0.24 -0.11 0.00 0.00 0.00 0.00 54.91 54.63 3kdz h ALA 106 Cb 0.68 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 3kdz h ALA 106 CO 0.05 0.59 -0.30 0.00 0.00 0.00 0.00 179.25 179.58 3kdz h ARG 107 N 0.84 0.50 -0.36 0.00 3.08 -1.11 -2.01 114.38 115.33 3kdz h ARG 107 Ca 0.17 -0.21 -0.11 0.00 0.07 0.00 0.00 59.98 59.90 3kdz h ARG 107 Cb 0.39 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.41 3kdz h ARG 107 CO 0.01 0.75 -0.23 0.00 -1.07 0.00 0.00 179.97 179.44 3kdz h ALA 108 N 1.24 0.93 -0.10 0.04 0.00 -1.08 -1.52 119.26 118.77 3kdz h ALA 108 Ca 0.06 -0.36 -0.02 0.00 0.00 0.00 0.00 54.91 54.59 3kdz h ALA 108 Cb 0.75 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.39 3kdz h ALA 108 CO 0.06 0.61 0.00 0.82 0.00 0.00 0.00 179.25 180.74 3kdz h ILE 109 N 0.62 1.25 -0.89 0.00 2.04 -1.16 -2.15 117.51 117.21 3kdz h ILE 109 Ca 0.09 -0.79 0.05 0.00 1.00 0.00 0.00 64.86 65.21 3kdz h ILE 109 Cb 0.71 1.57 -0.06 0.00 -0.74 0.00 0.00 36.82 38.30 3kdz h ILE 109 CO 0.05 0.23 0.56 0.58 0.00 0.00 0.00 178.15 179.57 3kdz h VAL 110 N -0.09 1.08 -0.64 1.67 2.07 -1.22 -2.22 116.25 116.91 3kdz h VAL 110 Ca 0.03 -0.36 -0.09 0.00 0.82 0.00 0.00 66.70 67.10 3kdz h VAL 110 Cb 0.35 -0.05 -0.02 0.00 -1.52 0.00 0.00 31.29 30.04 3kdz h VAL 110 CO 0.00 0.19 0.04 0.00 0.02 0.00 0.00 177.57 177.83 3kdz h ALA 111 N 1.40 0.86 -0.71 1.67 0.00 -1.17 -1.52 119.26 119.80 3kdz h ALA 111 Ca 0.38 -0.30 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 3kdz h ALA 111 Cb 0.12 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 3kdz h ALA 111 CO -0.16 0.67 0.28 0.00 0.00 0.00 0.00 179.25 180.05 3kdz h ALA 112 N 1.02 1.17 -0.34 0.00 0.00 -0.85 0.34 119.26 120.60 3kdz h ALA 112 Ca 0.19 -0.18 -0.16 0.00 0.00 0.00 0.00 54.91 54.76 3kdz h ALA 112 Cb 0.52 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 3kdz h ALA 112 CO 0.02 0.60 -0.40 -0.09 0.00 0.00 0.00 179.25 179.38 3kdz h ARG 113 N 1.02 0.87 -0.00 0.00 9.65 -1.20 -1.81 114.38 122.91 3kdz h ARG 113 Ca 0.24 -0.49 -0.00 0.00 -1.10 0.00 0.00 59.98 58.63 3kdz h ARG 113 Cb 0.19 0.03 -0.00 0.00 -1.39 0.00 0.00 29.97 28.80 3kdz h ARG 113 CO -0.02 1.13 0.00 1.25 2.80 0.00 0.00 179.97 185.13 3kdz h LEU 114 N 0.67 0.00 -1.11 3.80 5.85 -0.89 -1.52 115.31 122.12 3kdz h LEU 114 Ca 0.05 -0.08 0.10 0.00 0.84 0.00 0.00 57.88 58.79 3kdz h LEU 114 Cb 1.00 -0.00 -0.07 0.00 0.37 0.00 0.00 40.66 41.96 3kdz h LEU 114 CO 0.10 0.08 0.61 -1.13 -0.34 0.00 0.00 178.44 177.76 3kdz h ASN 115 N -0.08 0.88 -0.15 1.25 -1.24 -0.91 0.12 115.58 115.45 3kdz h ASN 115 Ca 0.00 0.03 -0.01 0.00 0.71 0.00 0.00 56.30 57.03 3kdz h ASN 115 Cb 0.08 -0.15 -0.01 0.00 0.73 0.00 0.00 38.32 38.97 3kdz h ASN 115 CO -0.00 0.51 0.06 0.74 -1.29 0.00 0.00 177.43 177.45 3kdz h THR 116 N 0.97 1.14 -0.05 -3.57 2.02 -0.87 -2.61 112.91 109.94 3kdz h THR 116 Ca 0.44 -0.42 -0.07 0.00 0.77 0.00 0.00 66.41 67.13 3kdz h THR 116 Cb 0.40 1.15 -0.01 0.00 -1.74 0.00 0.00 68.15 67.95 3kdz h THR 116 CO -0.20 0.13 -0.29 -0.07 0.37 0.00 0.00 175.52 175.46 3kdz h LEU 117 N 0.09 0.08 0.00 2.58 3.38 -0.41 -2.29 115.31 118.75 3kdz h LEU 117 Ca 0.05 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.00 3kdz h LEU 117 Cb 0.15 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.88 3kdz h LEU 117 CO -0.00 0.37 0.00 0.00 0.09 0.00 0.00 178.44 178.90 3kdz n ALA 118 N -2.48 2.31 0.12 1.53 0.00 0.33 -2.37 120.51 119.94 3kdz n ALA 118 Ca -0.02 -0.14 -0.02 0.00 0.00 0.00 0.00 53.44 53.27 3kdz n ALA 118 Cb 0.36 -1.38 0.11 0.00 0.00 0.00 0.00 19.45 18.54 3kdz n ALA 118 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 3kdz h LYS 119 N 0.00 0.00 0.00 0.00 3.64 -1.16 -3.36 116.57 115.69 3kdz h LYS 119 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3kdz h LYS 119 Cb 0.06 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.88 3kdz h LYS 119 CO 0.00 0.69 0.00 0.41 -2.27 0.00 0.00 179.45 178.28 3kdz n GLY 120 N 0.54 0.84 0.66 5.01 0.00 -1.00 -4.96 105.19 106.28 3kdz n GLY 120 Ca -0.01 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.10 3kdz n GLY 120 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3kdz n HIS 121 N -1.54 0.68 0.75 1.61 8.25 -1.26 -4.41 115.22 119.30 3kdz n HIS 121 Ca 0.00 -0.92 0.11 0.00 -0.26 0.00 0.00 57.72 56.65 3kdz n HIS 121 Cb 0.00 -0.27 -0.01 0.00 1.12 0.00 0.00 29.99 30.83 3kdz n HIS 121 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 3kdz n SER 122 N -0.78 0.68 -2.78 0.41 7.64 -1.26 -1.34 113.62 116.19 3kdz n SER 122 Ca 0.20 -0.49 -0.17 0.00 1.01 0.00 0.00 58.87 59.41 3kdz n SER 122 Cb 0.82 0.88 0.06 0.00 -1.01 0.00 0.00 64.21 64.97 3kdz n SER 122 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3kdz n ALA 123 N -1.69 -1.00 -2.75 -0.43 0.00 -1.26 -4.89 120.51 108.50 3kdz n ALA 123 Ca 0.03 0.28 -0.32 0.00 0.00 0.00 0.00 53.44 53.43 3kdz n ALA 123 Cb 0.39 -4.09 -0.07 0.00 0.00 0.00 0.00 19.45 15.68 3kdz n ALA 123 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3kdz s VAL 124 N -3.24 4.45 0.38 0.00 1.01 -1.26 -4.69 120.40 117.06 3kdz s VAL 124 Ca 0.41 -0.66 -0.26 0.00 0.00 0.00 0.00 61.98 61.47 3kdz s VAL 124 Cb -0.18 -3.08 -0.09 0.00 0.00 0.00 0.00 36.38 33.03 3kdz s VAL 124 CO 0.54 0.24 1.19 -0.13 0.00 0.00 0.00 175.10 176.93 3kdz s ARG 125 N -2.04 4.14 0.55 2.72 0.52 -1.26 -4.56 118.95 119.02 3kdz s ARG 125 Ca 0.25 1.90 0.29 0.00 -0.52 0.00 0.00 55.73 57.66 3kdz s ARG 125 Cb -0.12 -2.78 1.46 0.00 0.52 0.00 0.00 34.95 34.03 3kdz s ARG 125 CO 0.17 -0.26 1.92 -1.35 0.02 0.00 0.00 175.30 175.80 3kdz h PRO 126 N 2.84 0.00 -0.57 3.54 0.11 -1.89 -1.16 132.00 134.87 3kdz h PRO 126 Ca -0.49 0.00 0.05 0.00 0.11 0.00 0.00 66.00 65.68 3kdz h PRO 126 Cb 1.23 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.31 3kdz h PRO 126 CO 0.63 0.00 0.38 0.97 -0.21 0.00 0.00 178.00 179.77 3kdz h ILE 127 N 0.00 1.02 0.21 4.15 6.09 -1.98 0.36 117.51 127.36 3kdz h ILE 127 Ca 0.34 -0.20 -0.01 0.00 -1.37 0.00 0.00 64.86 63.62 3kdz h ILE 127 Cb 1.41 0.39 -0.00 0.00 0.47 0.00 0.00 36.82 39.09 3kdz h ILE 127 CO -0.00 0.11 -0.13 0.40 -3.07 0.00 0.00 178.15 175.45 3kdz h ILE 128 N 0.58 0.72 -0.43 2.19 1.08 -1.58 0.47 117.51 120.54 3kdz h ILE 128 Ca 0.24 0.00 -0.00 0.00 -0.39 0.00 0.00 64.86 64.71 3kdz h ILE 128 Cb 0.22 0.72 -0.02 0.00 -3.07 0.00 0.00 36.82 34.67 3kdz h ILE 128 CO -0.07 0.00 0.26 -0.07 -0.69 0.00 0.00 178.15 177.58 3kdz h LEU 129 N -0.33 0.52 -0.83 1.44 4.07 -1.49 -0.96 115.31 117.74 3kdz h LEU 129 Ca -0.02 -0.06 -0.02 0.00 0.08 0.00 0.00 57.88 57.86 3kdz h LEU 129 Cb 0.28 -0.13 -0.04 0.00 1.08 0.00 0.00 40.66 41.84 3kdz h LEU 129 CO 0.02 0.43 0.43 -0.33 -1.08 0.00 0.00 178.44 177.91 3kdz h GLU 130 N 0.57 1.18 -0.26 1.13 5.08 -0.60 -0.11 114.58 121.57 3kdz h GLU 130 Ca 0.15 -0.16 -0.07 0.00 -1.00 0.00 0.00 59.36 58.29 3kdz h GLU 130 Cb 0.01 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.03 3kdz h GLU 130 CO -0.03 0.89 -0.11 -0.09 -1.00 0.00 0.00 179.01 178.67 3kdz h ARG 131 N 1.17 0.53 -0.48 2.33 9.65 0.22 -0.92 114.38 126.87 3kdz h ARG 131 Ca 0.29 -0.22 0.05 0.00 -1.10 0.00 0.00 59.98 59.00 3kdz h ARG 131 Cb 0.08 -0.02 -0.05 0.00 -1.39 0.00 0.00 29.97 28.59 3kdz h ARG 131 CO -0.04 0.77 0.21 -0.07 2.80 0.00 0.00 179.97 183.64 3kdz h LEU 132 N 0.26 0.26 -1.79 3.80 3.38 -0.97 -0.76 115.31 119.50 3kdz h LEU 132 Ca 0.06 0.04 -0.03 0.00 0.09 0.00 0.00 57.88 58.04 3kdz h LEU 132 Cb 0.61 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.35 3kdz h LEU 132 CO 0.03 0.19 -0.15 0.00 0.09 0.00 0.00 178.44 178.60 3kdz h ALA 133 N 1.29 1.58 -0.15 1.53 0.00 -0.84 -2.42 119.26 120.26 3kdz h ALA 133 Ca 0.22 -0.13 -0.11 0.00 0.00 0.00 0.00 54.91 54.89 3kdz h ALA 133 Cb 0.18 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.95 3kdz h ALA 133 CO -0.19 0.18 -0.34 0.37 0.00 0.00 0.00 179.25 179.27 3kdz h GLN 134 N 0.00 0.49 -0.30 0.00 4.15 0.23 -2.64 115.11 117.05 3kdz h GLN 134 Ca -0.00 -0.33 0.05 0.00 0.77 0.00 0.00 58.65 59.14 3kdz h GLN 134 Cb 0.29 0.05 -0.04 0.00 0.21 0.00 0.00 27.48 27.98 3kdz h GLN 134 CO 0.02 0.94 0.02 1.88 -1.93 0.00 0.00 178.83 179.76 3kdz h TYR 135 N 0.10 0.02 0.09 3.99 -1.99 -0.79 0.95 116.97 119.35 3kdz h TYR 135 Ca -0.00 0.02 -0.00 0.00 2.00 0.00 0.00 58.73 60.75 3kdz h TYR 135 Cb 0.94 0.04 -0.00 0.00 2.00 0.00 0.00 36.73 39.71 3kdz h TYR 135 CO 0.10 -0.03 -0.05 -0.07 -0.00 0.00 0.00 178.16 178.11 3kdz h LEU 136 N 0.11 -0.12 -1.56 3.88 3.38 -1.56 -0.12 115.31 119.32 3kdz h LEU 136 Ca 0.14 0.01 -0.05 0.00 0.09 0.00 0.00 57.88 58.07 3kdz h LEU 136 Cb 0.18 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 3kdz h LEU 136 CO -0.22 -0.08 -0.23 0.78 0.09 0.00 0.00 178.44 178.77 3kdz h ASN 137 N -0.14 0.00 0.26 -0.43 -0.26 -1.04 -2.71 115.58 111.26 3kdz h ASN 137 Ca -0.01 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.73 3kdz h ASN 137 Cb 0.11 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.37 3kdz h ASN 137 CO 0.02 0.23 -0.41 1.21 -1.06 0.00 0.00 177.43 177.42 3kdz n GLU 138 N -4.12 0.59 -1.22 0.81 4.07 0.32 -4.96 120.64 116.14 3kdz n GLU 138 Ca -0.02 -0.38 -0.00 0.00 -0.06 0.00 0.00 57.16 56.69 3kdz n GLU 138 Cb 0.30 -1.49 -0.00 0.00 -0.06 0.00 0.00 31.44 30.18 3kdz n GLU 138 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3kdz n GLY 139 N 1.41 0.40 3.41 8.31 0.00 -0.21 -5.01 105.19 113.51 3kdz n GLY 139 Ca 0.09 -1.03 -0.44 0.00 0.00 0.00 0.00 46.02 44.64 3kdz n GLY 139 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3kdz s ILE 140 N -2.02 5.11 -0.22 -0.61 2.07 -0.33 -5.04 121.20 120.16 3kdz s ILE 140 Ca 0.00 -0.85 -0.10 0.00 -1.41 0.00 0.00 60.65 58.30 3kdz s ILE 140 Cb 0.00 -4.18 -0.05 0.00 0.13 0.00 0.00 42.46 38.36 3kdz s ILE 140 CO 0.00 -0.65 0.13 -0.89 -1.91 0.00 0.00 174.94 171.62 3kdz s THR 141 N 2.00 5.20 0.58 4.00 2.01 -1.26 -4.49 115.64 123.68 3kdz s THR 141 Ca 0.08 0.12 -0.18 0.00 0.31 0.00 0.00 61.69 62.02 3kdz s THR 141 Cb -0.22 -3.41 -0.04 0.00 0.01 0.00 0.00 72.50 68.84 3kdz s THR 141 CO 0.09 0.38 1.16 -2.84 -0.69 0.00 0.00 174.62 172.71 3kdz s PRO 142 N 0.87 3.11 -0.59 4.92 0.02 -1.26 0.16 135.00 142.23 3kdz s PRO 142 Ca 0.07 1.66 -0.21 0.00 0.02 0.00 0.00 61.00 62.54 3kdz s PRO 142 Cb -0.13 -1.97 0.07 0.00 0.02 0.00 0.00 34.50 32.49 3kdz s PRO 142 CO 0.03 -1.06 0.83 0.00 -0.33 0.00 0.00 177.00 176.47 3kdz s ALA 143 N -1.79 3.24 -0.36 -1.55 0.00 -0.23 -4.18 121.76 116.89 3kdz s ALA 143 Ca 0.74 -1.77 -0.10 0.00 0.00 0.00 0.00 51.96 50.83 3kdz s ALA 143 Cb -0.26 -3.66 0.03 0.00 0.00 0.00 0.00 23.12 19.23 3kdz s ALA 143 CO 0.31 -2.44 0.18 0.42 0.00 0.00 0.00 175.76 174.23 3kdz s ILE 144 N 3.45 4.41 0.38 0.00 1.01 -1.26 -4.77 121.20 124.42 3kdz s ILE 144 Ca 0.20 -0.86 -0.26 0.00 0.00 0.00 0.00 60.65 59.73 3kdz s ILE 144 Cb -0.18 -3.44 -0.09 0.00 0.01 0.00 0.00 42.46 38.77 3kdz s ILE 144 CO 0.12 -0.18 1.19 -2.16 0.00 0.00 0.00 174.94 173.91 3kdz s PRO 145 N 1.53 4.13 0.29 2.79 0.04 -1.26 0.22 135.00 142.73 3kdz s PRO 145 Ca 0.02 1.92 0.06 0.00 0.04 0.00 0.00 61.00 63.03 3kdz s PRO 145 Cb -0.19 -2.77 0.43 0.00 0.04 0.00 0.00 34.50 32.01 3kdz s PRO 145 CO 0.06 -0.28 1.69 0.93 0.04 0.00 0.00 177.00 179.44 3kdz h GLU 146 N 2.83 0.25 -6.08 4.56 5.08 -0.30 -3.44 114.58 117.48 3kdz h GLU 146 Ca -0.49 -0.12 -0.58 0.00 -1.00 0.00 0.00 59.36 57.17 3kdz h GLU 146 Cb 1.23 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.45 3kdz h GLU 146 CO 0.63 0.63 -0.40 0.42 -1.00 0.00 0.00 179.01 179.29 3kdz s ILE 147 N -4.12 5.27 0.00 3.13 -1.09 0.50 -4.69 121.20 120.20 3kdz s ILE 147 Ca -0.05 -0.31 0.00 0.00 -2.23 0.00 0.00 60.65 58.07 3kdz s ILE 147 Cb 0.13 -3.67 0.00 0.00 -1.58 0.00 0.00 42.46 37.34 3kdz s ILE 147 CO 0.77 0.00 0.00 0.61 -1.23 0.00 0.00 174.94 175.10 3kdz n GLY 148 N -0.12 3.24 3.76 6.18 0.00 -1.26 -1.83 105.19 115.17 3kdz n GLY 148 Ca -0.04 -0.58 -0.41 0.00 0.00 0.00 0.00 46.02 44.99 3kdz n GLY 148 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3kdz s SER 149 N -0.10 7.06 -0.01 1.61 0.15 -1.26 -4.64 113.70 116.52 3kdz s SER 149 Ca 0.00 2.40 0.19 0.00 0.70 0.00 0.00 55.95 59.24 3kdz s SER 149 Cb 0.00 -2.63 0.56 0.00 -1.71 0.00 0.00 66.02 62.24 3kdz s SER 149 CO 0.00 -0.32 1.47 0.18 1.20 0.00 0.00 173.24 175.76 3kdz n LEU 150 N 1.38 3.73 -2.87 3.45 4.77 -1.26 -4.82 117.00 121.38 3kdz n LEU 150 Ca 0.01 -2.04 -0.09 0.00 -0.03 0.00 0.00 56.01 53.85 3kdz n LEU 150 Cb 0.44 -0.43 0.01 0.00 -2.33 0.00 0.00 43.42 41.11 3kdz n LEU 150 CO 0.56 0.90 0.03 0.61 -1.33 0.00 0.00 177.39 178.16 3kdz n GLY 151 N 1.28 -1.32 2.54 -0.72 0.00 -1.26 -0.43 105.19 105.28 3kdz n GLY 151 Ca 0.21 1.25 -0.11 0.00 0.00 0.00 0.00 46.02 47.37 3kdz n GLY 151 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3kdz n ASP 155 N -0.28 0.57 0.17 1.61 8.00 -0.90 -1.35 116.55 124.38 3kdz n ASP 155 Ca 0.11 -2.83 -0.14 0.00 0.71 0.00 0.00 54.79 52.64 3kdz n ASP 155 Cb 0.46 -0.18 -0.08 0.00 -0.02 0.00 0.00 41.12 41.30 3kdz n ASP 155 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 3kdz h LEU 156 N 2.87 -1.19 0.29 0.64 3.38 -1.84 -2.47 115.31 116.99 3kdz h LEU 156 Ca -0.07 0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.01 3kdz h LEU 156 Cb 1.13 0.41 -0.03 0.00 0.09 0.00 0.00 40.66 42.27 3kdz h LEU 156 CO 0.40 -0.50 -0.38 0.00 0.09 0.00 0.00 178.44 178.05 3kdz h ALA 157 N -0.93 -0.77 -0.85 1.53 0.00 -1.83 0.18 119.26 116.60 3kdz h ALA 157 Ca -0.03 -0.11 0.02 0.00 0.00 0.00 0.00 54.91 54.79 3kdz h ALA 157 Cb 0.66 0.57 -0.05 0.00 0.00 0.00 0.00 17.79 18.98 3kdz h ALA 157 CO -0.13 -0.98 0.55 -1.00 0.00 0.00 0.00 179.25 177.70 3kdz h PRO 158 N -0.72 1.08 0.00 0.00 0.13 -1.84 -0.62 132.00 130.03 3kdz h PRO 158 Ca -0.01 -0.07 -0.07 0.00 -0.87 0.00 0.00 66.00 64.98 3kdz h PRO 158 Cb 0.68 -0.24 -0.01 0.00 0.13 0.00 0.00 31.00 31.55 3kdz h PRO 158 CO -0.12 0.72 -0.35 -0.07 -0.23 0.00 0.00 178.00 177.95 3kdz h LEU 159 N 1.11 0.00 -0.94 1.56 3.38 -1.30 -2.37 115.31 116.75 3kdz h LEU 159 Ca 0.32 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 58.20 3kdz h LEU 159 Cb -0.08 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 3kdz h LEU 159 CO -0.09 0.35 -0.25 0.28 0.09 0.00 0.00 178.44 178.82 3kdz h SER 160 N 0.00 0.48 -0.02 -0.43 0.02 0.85 0.15 113.55 114.61 3kdz h SER 160 Ca -0.00 -0.16 -0.12 0.00 -0.84 0.00 0.00 61.79 60.66 3kdz h SER 160 Cb 0.73 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 63.13 3kdz h SER 160 CO 0.05 0.73 -0.36 0.45 -1.14 0.00 0.00 176.83 176.56 3kdz h HIS 161 N 0.42 0.60 -0.18 3.45 3.86 -0.79 -1.02 115.15 121.48 3kdz h HIS 161 Ca 0.06 -0.16 -0.05 0.00 -1.16 0.00 0.00 60.37 59.06 3kdz h HIS 161 Cb 0.67 -0.13 -0.00 0.00 1.06 0.00 0.00 27.41 29.00 3kdz h HIS 161 CO 0.02 0.81 -0.08 0.28 0.86 0.00 0.00 177.93 179.81 3kdz h VAL 162 N 0.43 1.31 -0.69 2.45 2.07 -1.09 -3.08 116.25 117.66 3kdz h VAL 162 Ca 0.05 -1.13 0.11 0.00 0.82 0.00 0.00 66.70 66.55 3kdz h VAL 162 Cb 0.83 1.67 -0.08 0.00 -1.52 0.00 0.00 31.29 32.19 3kdz h VAL 162 CO 0.07 0.34 0.29 0.00 0.02 0.00 0.00 177.57 178.28 3kdz h ALA 163 N 0.69 0.93 -0.96 1.67 0.00 -0.40 -1.57 119.26 119.62 3kdz h ALA 163 Ca 0.04 0.09 0.15 0.00 0.00 0.00 0.00 54.91 55.18 3kdz h ALA 163 Cb 0.56 0.04 -0.09 0.00 0.00 0.00 0.00 17.79 18.29 3kdz h ALA 163 CO 0.03 -0.16 0.58 0.77 0.00 0.00 0.00 179.25 180.47 3kdz h SER 164 N 0.48 0.79 0.65 0.00 0.02 -1.11 -1.49 113.55 112.88 3kdz h SER 164 Ca 0.36 0.07 -0.01 0.00 -0.84 0.00 0.00 61.79 61.37 3kdz h SER 164 Cb 0.46 -0.07 -0.00 0.00 0.14 0.00 0.00 62.40 62.92 3kdz h SER 164 CO -0.33 0.36 -0.04 0.71 -1.14 0.00 0.00 176.83 176.40 3kdz h THR 165 N 0.83 0.13 0.00 -2.27 1.35 -1.09 0.54 112.91 112.40 3kdz h THR 165 Ca 0.51 -0.43 -0.17 0.00 -0.55 0.00 0.00 66.41 65.77 3kdz h THR 165 Cb 0.65 1.37 -0.02 0.00 -1.73 0.00 0.00 68.15 68.42 3kdz h THR 165 CO -0.32 0.04 -0.82 -0.07 -0.25 0.00 0.00 175.52 174.09 3kdz h LEU 166 N 0.00 0.00 -3.46 3.87 3.38 -1.28 -3.08 115.31 114.75 3kdz h LEU 166 Ca -0.00 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.87 3kdz h LEU 166 Cb 0.37 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.06 3kdz h LEU 166 CO 0.00 0.82 0.12 2.30 0.09 0.00 0.00 178.44 181.78 3kdz n ILE 167 N -3.38 2.65 -1.57 1.22 -5.35 -0.83 -0.46 119.36 111.64 3kdz n ILE 167 Ca 0.00 -1.39 -0.14 0.00 -0.27 0.00 0.00 62.75 60.96 3kdz n ILE 167 Cb 0.84 -0.34 -0.05 0.00 -1.74 0.00 0.00 39.64 38.35 3kdz n ILE 167 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3kdz n GLY 168 N 0.25 1.10 1.28 3.28 0.00 -1.05 -4.78 105.19 105.27 3kdz n GLY 168 Ca 0.32 -0.38 -0.11 0.00 0.00 0.00 0.00 46.02 45.85 3kdz n GLY 168 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3kdz n GLU 169 N -2.55 1.48 0.00 1.61 1.02 0.18 -3.00 120.64 119.38 3kdz n GLU 169 Ca -0.14 -1.27 0.00 0.00 -0.02 0.00 0.00 57.16 55.73 3kdz n GLU 169 Cb 0.48 0.29 0.00 0.00 -0.02 0.00 0.00 31.44 32.19 3kdz n GLU 169 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3kdz n GLY 170 N 2.84 1.24 3.06 0.62 0.00 -1.26 -2.76 105.19 108.93 3kdz n GLY 170 Ca -0.06 -0.68 -0.08 0.00 0.00 0.00 0.00 46.02 45.19 3kdz n GLY 170 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3kdz s TYR 171 N 0.00 0.32 0.16 1.61 1.51 -1.26 -2.57 117.35 117.13 3kdz s TYR 171 Ca 0.00 -0.69 0.11 0.00 -1.01 0.00 0.00 57.07 55.47 3kdz s TYR 171 Cb 0.00 -0.24 -0.04 0.00 -0.11 0.00 0.00 41.96 41.57 3kdz s TYR 171 CO 0.00 -0.31 -0.23 0.14 -1.11 0.00 0.00 175.55 174.04 3kdz s VAL 172 N -2.63 2.45 -0.37 0.71 -7.23 -0.28 -1.07 120.40 111.97 3kdz s VAL 172 Ca -0.05 -1.84 -0.26 0.00 -1.81 0.00 0.00 61.98 58.02 3kdz s VAL 172 Cb -0.01 -2.14 0.02 0.00 0.56 0.00 0.00 36.38 34.80 3kdz s VAL 172 CO -0.05 -0.02 0.93 -0.22 -0.31 0.00 0.00 175.10 175.43 3kdz s LEU 173 N -2.41 3.99 -0.18 1.32 2.96 0.42 -1.09 118.68 123.69 3kdz s LEU 173 Ca 0.18 0.57 -0.00 0.00 -0.22 0.00 0.00 54.13 54.66 3kdz s LEU 173 Cb -0.09 -3.27 0.05 0.00 0.50 0.00 0.00 46.19 43.38 3kdz s LEU 173 CO 0.09 -0.87 -0.05 -0.60 -1.32 0.00 0.00 176.35 173.60 3kdz s ARG 174 N 3.50 1.45 -1.37 1.98 3.52 0.68 -4.53 118.95 124.18 3kdz s ARG 174 Ca 0.38 -0.59 -0.02 0.00 -0.13 0.00 0.00 55.73 55.37 3kdz s ARG 174 Cb -0.12 -2.12 0.01 0.00 -1.56 0.00 0.00 34.95 31.17 3kdz s ARG 174 CO 0.19 -0.47 0.65 -0.25 -0.81 0.00 0.00 175.30 174.62 3kdz n ASP 175 N 4.85 -1.38 0.00 -2.12 8.00 -1.26 -1.37 116.55 123.26 3kdz n ASP 175 Ca -0.12 -0.87 0.00 0.00 0.71 0.00 0.00 54.79 54.51 3kdz n ASP 175 Cb 0.47 -3.71 0.00 0.00 -0.02 0.00 0.00 41.12 37.86 3kdz n ASP 175 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3kdz n GLY 176 N -1.70 2.61 3.56 0.44 0.00 -1.26 -5.00 105.19 103.84 3kdz n GLY 176 Ca -0.25 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.49 3kdz n GLY 176 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kdz s ARG 177 N 0.00 2.03 0.00 1.61 0.52 -0.47 -5.07 118.95 117.57 3kdz s ARG 177 Ca 0.00 -1.20 -0.25 0.00 -0.52 0.00 0.00 55.73 53.75 3kdz s ARG 177 Cb 0.00 -2.18 -0.04 0.00 0.52 0.00 0.00 34.95 33.24 3kdz s ARG 177 CO 0.00 0.46 0.78 -1.25 0.02 0.00 0.00 175.30 175.30 3kdz s PRO 178 N -2.60 4.49 -0.06 3.54 0.04 -1.26 -0.23 135.00 138.92 3kdz s PRO 178 Ca 0.23 1.06 0.03 0.00 0.04 0.00 0.00 61.00 62.36 3kdz s PRO 178 Cb -0.10 -3.41 0.01 0.00 0.04 0.00 0.00 34.50 31.05 3kdz s PRO 178 CO 0.14 0.16 -0.13 0.14 0.04 0.00 0.00 177.00 177.35 3kdz s VAL 179 N 0.39 1.18 0.07 -0.36 -7.23 -0.25 -4.93 120.40 109.27 3kdz s VAL 179 Ca 0.40 -0.54 -0.37 0.00 -1.81 0.00 0.00 61.98 59.66 3kdz s VAL 179 Cb -0.20 -1.06 -0.18 0.00 0.56 0.00 0.00 36.38 35.51 3kdz s VAL 179 CO 0.22 0.36 1.24 -0.62 -0.31 0.00 0.00 175.10 175.99 3kdz n GLU 180 N 3.57 0.78 -0.06 4.82 1.02 -1.26 -1.12 120.64 128.39 3kdz n GLU 180 Ca -0.21 0.28 0.02 0.00 -0.02 0.00 0.00 57.16 57.23 3kdz n GLU 180 Cb 0.52 -1.86 0.33 0.00 -0.02 0.00 0.00 31.44 30.41 3kdz n GLU 180 CO 0.00 0.00 0.00 1.15 1.18 0.00 0.00 177.13 179.46 3kdz h THR 181 N 3.15 1.16 -0.66 2.62 2.02 -1.70 -2.96 112.91 116.55 3kdz h THR 181 Ca -0.48 -0.44 0.13 0.00 0.77 0.00 0.00 66.41 66.39 3kdz h THR 181 Cb 1.37 0.55 -0.10 0.00 -1.74 0.00 0.00 68.15 68.23 3kdz h THR 181 CO 0.73 0.18 0.12 0.00 0.37 0.00 0.00 175.52 176.93 3kdz h ALA 182 N 1.60 0.78 0.17 6.16 0.00 -1.82 -1.87 119.26 124.29 3kdz h ALA 182 Ca 0.17 0.16 -0.01 0.00 0.00 0.00 0.00 54.91 55.22 3kdz h ALA 182 Cb 0.07 0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.08 3kdz h ALA 182 CO -0.02 -0.33 -0.08 1.96 0.00 0.00 0.00 179.25 180.77 3kdz h GLN 183 N 0.24 -0.22 -0.93 0.00 4.20 -1.87 -2.76 115.11 113.77 3kdz h GLN 183 Ca 0.35 0.02 0.15 0.00 0.06 0.00 0.00 58.65 59.23 3kdz h GLN 183 Cb 0.57 0.05 -0.09 0.00 0.30 0.00 0.00 27.48 28.30 3kdz h GLN 183 CO -0.47 0.09 0.54 0.28 -0.67 0.00 0.00 178.83 178.60 3kdz h VAL 184 N -0.55 0.78 0.22 -0.54 2.07 -1.43 0.24 116.25 117.03 3kdz h VAL 184 Ca -0.02 -0.26 -0.01 0.00 0.82 0.00 0.00 66.70 67.22 3kdz h VAL 184 Cb 0.42 -0.05 0.00 0.00 -1.52 0.00 0.00 31.29 30.14 3kdz h VAL 184 CO 0.04 0.14 -0.11 -0.07 0.02 0.00 0.00 177.57 177.59 3kdz h LEU 185 N 0.76 -0.25 -1.99 2.57 3.38 -1.40 -2.45 115.31 115.93 3kdz h LEU 185 Ca 0.50 -0.26 0.16 0.00 0.09 0.00 0.00 57.88 58.37 3kdz h LEU 185 Cb 0.67 0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.46 3kdz h LEU 185 CO -0.34 0.26 0.47 0.00 0.09 0.00 0.00 178.44 178.92 3kdz h ALA 186 N -0.48 2.38 -0.16 1.53 0.00 -1.33 -1.08 119.26 120.12 3kdz h ALA 186 Ca -0.03 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3kdz h ALA 186 Cb 0.50 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.33 3kdz h ALA 186 CO 0.05 -0.75 0.00 -1.91 0.00 0.00 0.00 179.25 176.64 3kdz n GLU 187 N -4.02 0.00 0.00 0.00 2.13 0.06 -3.10 120.64 115.70 3kdz n GLU 187 Ca 0.10 0.47 0.00 0.00 0.66 0.00 0.00 57.16 58.40 3kdz n GLU 187 Cb 0.69 -1.35 0.00 0.00 0.27 0.00 0.00 31.44 31.05 3kdz n GLU 187 CO 0.00 0.00 0.00 2.89 -0.41 0.00 0.00 177.13 179.61 3kdz n ARG 188 N -1.92 0.85 -3.64 5.31 1.85 -0.93 -4.85 116.66 113.33 3kdz n ARG 188 Ca 0.00 0.00 -0.26 0.00 -1.00 0.00 0.00 57.85 56.59 3kdz n ARG 188 Cb 0.00 -1.20 0.04 0.00 -1.05 0.00 0.00 32.46 30.25 3kdz n ARG 188 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3kdz n GLY 189 N 0.40 -0.77 3.04 2.89 0.00 -0.58 -5.03 105.19 105.13 3kdz n GLY 189 Ca 0.00 0.36 -0.29 0.00 0.00 0.00 0.00 46.02 46.10 3kdz n GLY 189 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kdz s ILE 190 N -3.55 1.47 -0.17 -0.61 1.01 -0.52 -5.01 121.20 113.82 3kdz s ILE 190 Ca 0.31 -0.61 -0.29 0.00 0.00 0.00 0.00 60.65 60.05 3kdz s ILE 190 Cb -0.09 -1.36 -0.02 0.00 0.01 0.00 0.00 42.46 41.00 3kdz s ILE 190 CO 0.83 0.44 1.30 -1.61 0.00 0.00 0.00 174.94 175.90 3kdz s GLU 191 N 1.14 4.19 0.34 2.79 2.02 -1.26 -4.24 118.70 123.67 3kdz s GLU 191 Ca -0.03 1.66 -0.29 0.00 0.02 0.00 0.00 54.97 56.33 3kdz s GLU 191 Cb -0.14 -3.80 -0.11 0.00 0.10 0.00 0.00 34.13 30.18 3kdz s GLU 191 CO -0.04 -0.77 1.49 -1.25 0.02 0.00 0.00 175.26 174.71 3kdz s PRO 192 N 3.64 4.16 0.84 0.39 0.04 -1.26 -4.96 135.00 137.84 3kdz s PRO 192 Ca 0.57 2.51 -0.11 0.00 0.04 0.00 0.00 61.00 64.01 3kdz s PRO 192 Cb -0.22 -3.01 0.10 0.00 0.04 0.00 0.00 34.50 31.41 3kdz s PRO 192 CO 0.17 -0.51 1.13 -0.51 0.04 0.00 0.00 177.00 177.31 3kdz s LEU 193 N -1.46 2.96 -0.25 -3.56 1.43 0.39 -4.87 118.68 113.32 3kdz s LEU 193 Ca 0.56 2.05 0.01 0.00 -1.03 0.00 0.00 54.13 55.72 3kdz s LEU 193 Cb -0.46 -4.55 0.07 0.00 0.03 0.00 0.00 46.19 41.28 3kdz s LEU 193 CO 0.56 -2.61 -0.04 -0.70 0.23 0.00 0.00 176.35 173.80 3kdz s GLU 194 N -4.70 1.60 0.22 1.70 2.12 -1.26 -4.18 118.70 114.21 3kdz s GLU 194 Ca 0.65 -1.13 -0.30 0.00 0.36 0.00 0.00 54.97 54.55 3kdz s GLU 194 Cb -0.21 -2.64 -0.10 0.00 0.26 0.00 0.00 34.13 31.44 3kdz s GLU 194 CO 0.56 -0.66 1.42 -0.51 -0.54 0.00 0.00 175.26 175.53 3kdz s LEU 195 N 1.33 4.39 0.00 2.70 1.43 -1.26 -5.05 118.68 122.21 3kdz s LEU 195 Ca -0.03 2.58 0.03 0.00 -1.03 0.00 0.00 54.13 55.68 3kdz s LEU 195 Cb -0.19 -3.62 0.03 0.00 0.03 0.00 0.00 46.19 42.45 3kdz s LEU 195 CO -0.08 -0.67 0.27 0.54 0.23 0.00 0.00 176.35 176.65 3kdz n ARG 196 N 2.65 0.98 -1.67 1.70 1.74 -1.26 -4.23 116.66 116.58 3kdz n ARG 196 Ca 0.08 -1.62 -0.59 0.00 -0.77 0.00 0.00 57.85 54.95 3kdz n ARG 196 Cb 0.41 0.07 -0.08 0.00 -1.02 0.00 0.00 32.46 31.84 3kdz n ARG 196 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 3kdz n PHE 197 N -1.32 1.70 -0.92 -1.55 3.72 -1.26 -1.50 117.46 116.34 3kdz n PHE 197 Ca 0.02 0.75 0.00 0.00 -0.05 0.00 0.00 57.45 58.17 3kdz n PHE 197 Cb 0.30 -2.34 0.00 0.00 -0.94 0.00 0.00 39.48 36.50 3kdz n PHE 197 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 176.76 177.88 3kdz n LYS 198 N 3.98 -0.93 0.05 -1.08 4.81 -1.26 -4.83 118.16 118.90 3kdz n LYS 198 Ca 0.25 0.23 -0.15 0.00 -0.87 0.00 0.00 58.31 57.77 3kdz n LYS 198 Cb 0.10 -4.13 -0.14 0.00 0.02 0.00 0.00 35.03 30.88 3kdz n LYS 198 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 3kdz h GLU 199 N 0.56 0.20 -0.26 1.64 5.08 -1.59 -2.31 114.58 117.91 3kdz h GLU 199 Ca 0.00 -0.34 -0.07 0.00 -1.00 0.00 0.00 59.36 57.95 3kdz h GLU 199 Cb 0.46 0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.83 3kdz h GLU 199 CO 0.00 1.04 -0.13 0.78 -1.00 0.00 0.00 179.01 179.70 3kdz h GLY 200 N 1.99 0.59 0.85 -3.84 0.00 -1.88 -2.48 103.07 98.29 3kdz h GLY 200 Ca -0.22 -0.53 -0.03 0.00 0.00 0.00 0.00 47.33 46.54 3kdz h GLY 200 CO 0.15 0.49 0.03 -2.00 0.00 0.00 0.00 176.54 175.20 3kdz h LEU 201 N 0.27 0.37 -1.64 3.11 5.85 -1.85 -3.04 115.31 118.38 3kdz h LEU 201 Ca 0.06 -0.27 0.01 0.00 0.84 0.00 0.00 57.88 58.51 3kdz h LEU 201 Cb 0.64 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.56 3kdz h LEU 201 CO 0.04 0.55 0.26 0.00 -0.34 0.00 0.00 178.44 178.95 3kdz h ALA 202 N 0.83 1.76 -0.10 1.25 0.00 -1.43 0.80 119.26 122.37 3kdz h ALA 202 Ca 0.07 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.87 3kdz h ALA 202 Cb 0.34 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 3kdz h ALA 202 CO 0.01 0.21 -0.32 -0.07 0.00 0.00 0.00 179.25 179.08 3kdz h LEU 203 N 0.49 0.20 0.00 0.00 3.38 -1.32 -3.33 115.31 114.73 3kdz h LEU 203 Ca 0.15 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.05 3kdz h LEU 203 Cb -0.01 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.69 3kdz h LEU 203 CO -0.03 0.51 -0.66 2.30 0.09 0.00 0.00 178.44 180.66 3kdz n ILE 204 N -4.11 0.00 -1.91 1.22 -5.35 -0.92 -4.81 119.36 103.48 3kdz n ILE 204 Ca -0.01 -0.27 -0.40 0.00 -0.27 0.00 0.00 62.75 61.79 3kdz n ILE 204 Cb 0.40 0.83 -0.01 0.00 -1.74 0.00 0.00 39.64 39.12 3kdz n ILE 204 CO 0.00 0.00 0.00 -3.20 -1.76 0.00 0.00 176.55 171.59 3kdz n ASN 205 N -1.35 7.94 -1.61 7.28 5.15 0.23 -3.93 115.26 128.96 3kdz n ASN 205 Ca 0.01 -3.05 -0.04 0.00 -0.60 0.00 0.00 54.58 50.90 3kdz n ASN 205 Cb 0.16 -1.40 0.00 0.00 -0.53 0.00 0.00 39.78 38.01 3kdz n ASN 205 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3kdz n GLY 206 N 2.09 2.08 1.79 8.20 0.00 -1.26 -3.65 105.19 114.45 3kdz n GLY 206 Ca 0.63 -1.23 -0.08 0.00 0.00 0.00 0.00 46.02 45.35 3kdz n GLY 206 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3kdz n THR 207 N -0.18 2.87 0.26 2.61 -2.24 -1.26 -2.11 114.28 114.23 3kdz n THR 207 Ca -0.02 -1.92 0.11 0.00 -2.27 0.00 0.00 64.05 59.95 3kdz n THR 207 Cb 0.20 -0.37 0.71 0.00 -2.10 0.00 0.00 70.33 68.77 3kdz n THR 207 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 3kdz h SER 208 N 1.93 0.00 0.54 3.42 0.02 -1.90 -0.11 113.55 117.45 3kdz h SER 208 Ca 0.31 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 61.24 3kdz h SER 208 Cb 2.25 0.00 0.01 0.00 0.14 0.00 0.00 62.40 64.80 3kdz h SER 208 CO 0.71 0.10 -0.26 1.23 -1.14 0.00 0.00 176.83 177.46 3kdz h GLY 209 N 0.47 -0.76 1.49 -3.77 0.00 -1.87 -0.45 103.07 98.17 3kdz h GLY 209 Ca -0.00 0.28 -0.06 0.00 0.00 0.00 0.00 47.33 47.55 3kdz h GLY 209 CO 0.01 -0.28 -0.03 0.00 0.00 0.00 0.00 176.54 176.25 3kdz h MET 210 N -0.94 0.63 -0.10 4.80 -0.00 -1.87 -1.80 114.93 115.65 3kdz h MET 210 Ca -0.07 -0.16 -0.17 0.00 -0.00 0.00 0.00 59.70 59.29 3kdz h MET 210 Cb 0.56 -0.08 -0.01 0.00 -0.00 0.00 0.00 31.60 32.08 3kdz h MET 210 CO 0.12 0.67 -0.66 1.15 -0.00 0.00 0.00 176.91 178.19 3kdz h THR 211 N 0.59 1.36 0.21 -0.10 2.02 -1.08 0.22 112.91 116.14 3kdz h THR 211 Ca 0.12 -2.02 -0.01 0.00 0.77 0.00 0.00 66.41 65.27 3kdz h THR 211 Cb 0.42 2.00 0.00 0.00 -1.74 0.00 0.00 68.15 68.83 3kdz h THR 211 CO 0.02 0.61 -0.10 1.23 0.37 0.00 0.00 175.52 177.65 3kdz h GLY 212 N 1.24 -0.30 1.00 2.16 0.00 -0.90 -2.41 103.07 103.86 3kdz h GLY 212 Ca -0.02 0.11 0.00 0.00 0.00 0.00 0.00 47.33 47.43 3kdz h GLY 212 CO 0.11 -0.11 0.17 -2.00 0.00 0.00 0.00 176.54 174.71 3kdz h LEU 213 N -0.84 0.30 -1.01 3.11 5.85 -1.39 -2.58 115.31 118.76 3kdz h LEU 213 Ca -0.03 -0.01 0.16 0.00 0.84 0.00 0.00 57.88 58.84 3kdz h LEU 213 Cb 0.51 -0.07 -0.10 0.00 0.37 0.00 0.00 40.66 41.37 3kdz h LEU 213 CO 0.05 0.22 0.62 1.23 -0.34 0.00 0.00 178.44 180.22 3kdz h GLY 214 N 0.35 1.74 0.99 3.75 0.00 -0.64 -1.36 103.07 107.89 3kdz h GLY 214 Ca 0.09 -0.39 0.00 0.00 0.00 0.00 0.00 47.33 47.04 3kdz h GLY 214 CO -0.02 0.03 0.14 1.76 0.00 0.00 0.00 176.54 178.45 3kdz h SER 215 N 0.86 0.24 -0.13 0.19 0.02 -1.02 0.11 113.55 113.83 3kdz h SER 215 Ca 0.55 -0.00 0.02 0.00 -0.84 0.00 0.00 61.79 61.51 3kdz h SER 215 Cb 0.73 -0.06 -0.02 0.00 0.14 0.00 0.00 62.40 63.19 3kdz h SER 215 CO -0.33 0.17 0.02 -0.07 -1.14 0.00 0.00 176.83 175.48 3kdz h LEU 216 N 0.29 0.00 -0.07 5.07 3.38 -1.20 -0.36 115.31 122.42 3kdz h LEU 216 Ca 0.08 0.02 0.01 0.00 0.09 0.00 0.00 57.88 58.08 3kdz h LEU 216 Cb -0.03 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 3kdz h LEU 216 CO -0.02 0.02 0.00 0.58 0.09 0.00 0.00 178.44 179.11 3kdz h VAL 217 N 0.07 0.96 -0.27 1.22 2.07 -1.01 0.32 116.25 119.61 3kdz h VAL 217 Ca 0.06 -0.01 -0.02 0.00 0.82 0.00 0.00 66.70 67.55 3kdz h VAL 217 Cb 0.05 0.93 -0.01 0.00 -1.52 0.00 0.00 31.29 30.73 3kdz h VAL 217 CO -0.08 0.00 0.10 0.58 0.02 0.00 0.00 177.57 178.20 3kdz h VAL 218 N 0.03 1.18 -0.63 2.57 2.07 -0.67 0.80 116.25 121.59 3kdz h VAL 218 Ca 0.03 -0.54 0.05 0.00 0.82 0.00 0.00 66.70 67.06 3kdz h VAL 218 Cb 0.03 1.04 -0.05 0.00 -1.52 0.00 0.00 31.29 30.79 3kdz h VAL 218 CO -0.05 0.18 0.35 1.23 0.02 0.00 0.00 177.57 179.30 3kdz h GLY 219 N 0.28 0.92 1.79 2.17 0.00 -0.91 -1.12 103.07 106.21 3kdz h GLY 219 Ca 0.09 -0.24 -0.13 0.00 0.00 0.00 0.00 47.33 47.05 3kdz h GLY 219 CO -0.01 0.15 -0.53 3.21 0.00 0.00 0.00 176.54 179.36 3kdz h ARG 220 N 0.65 0.22 -0.92 4.80 3.08 -0.54 -2.92 114.38 118.76 3kdz h ARG 220 Ca 0.28 -0.13 -0.01 0.00 0.07 0.00 0.00 59.98 60.18 3kdz h ARG 220 Cb 0.17 0.01 -0.04 0.00 0.08 0.00 0.00 29.97 30.19 3kdz h ARG 220 CO -0.17 0.70 0.51 0.00 -1.07 0.00 0.00 179.97 179.94 3kdz h ALA 221 N 1.28 1.18 -0.65 0.04 0.00 0.18 0.41 119.26 121.69 3kdz h ALA 221 Ca 0.00 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 54.73 3kdz h ALA 221 Cb 0.99 -0.37 -0.03 0.00 0.00 0.00 0.00 17.79 18.39 3kdz h ALA 221 CO 0.08 0.67 0.18 -0.07 0.00 0.00 0.00 179.25 180.11 3kdz h LEU 222 N 1.28 0.97 -0.97 0.00 3.38 -1.13 0.05 115.31 118.89 3kdz h LEU 222 Ca 0.32 -0.22 -0.08 0.00 0.09 0.00 0.00 57.88 57.99 3kdz h LEU 222 Cb 0.01 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.49 3kdz h LEU 222 CO -0.05 0.93 -0.14 -0.33 0.09 0.00 0.00 178.44 178.94 3kdz h GLU 223 N 0.96 0.58 -0.35 1.13 5.08 -1.22 -1.76 114.58 119.01 3kdz h GLU 223 Ca 0.21 -0.18 -0.08 0.00 -1.00 0.00 0.00 59.36 58.31 3kdz h GLU 223 Cb 0.33 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.51 3kdz h GLU 223 CO -0.00 0.71 -0.11 0.37 -1.00 0.00 0.00 179.01 178.98 3kdz h GLN 224 N 0.53 0.60 -0.55 2.33 4.15 -0.29 0.25 115.11 122.13 3kdz h GLN 224 Ca 0.09 -0.18 -0.03 0.00 0.77 0.00 0.00 58.65 59.31 3kdz h GLN 224 Cb 0.55 -0.06 -0.02 0.00 0.21 0.00 0.00 27.48 28.16 3kdz h GLN 224 CO 0.04 0.69 0.23 0.00 -1.93 0.00 0.00 178.83 177.86 3kdz h ALA 225 N 1.34 0.72 -0.48 3.38 0.00 -0.27 0.14 119.26 124.09 3kdz h ALA 225 Ca 0.10 -0.15 -0.08 0.00 0.00 0.00 0.00 54.91 54.78 3kdz h ALA 225 Cb 0.51 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 3kdz h ALA 225 CO 0.03 0.32 0.00 1.96 0.00 0.00 0.00 179.25 181.56 3kdz h GLN 226 N 0.75 0.85 0.00 0.00 4.20 -0.66 -1.40 115.11 118.85 3kdz h GLN 226 Ca 0.19 -0.27 0.00 0.00 0.06 0.00 0.00 58.65 58.62 3kdz h GLN 226 Cb 0.18 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 27.89 3kdz h GLN 226 CO -0.02 0.89 0.00 1.96 -0.67 0.00 0.00 178.83 181.00 3kdz h GLN 227 N 0.71 0.00 0.05 1.46 4.20 -0.14 0.16 115.11 121.55 3kdz h GLN 227 Ca 0.14 0.00 -0.22 0.00 0.06 0.00 0.00 58.65 58.62 3kdz h GLN 227 Cb 0.51 0.00 0.02 0.00 0.30 0.00 0.00 27.48 28.31 3kdz h GLN 227 CO 0.02 0.00 -0.91 0.00 -0.67 0.00 0.00 178.83 177.28 3kdz h ALA 228 N 2.00 0.04 -0.65 3.87 0.00 -0.37 -2.72 119.26 121.45 3kdz h ALA 228 Ca 0.00 -0.67 -0.06 0.00 0.00 0.00 0.00 54.91 54.18 3kdz h ALA 228 Cb 0.61 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.44 3kdz h ALA 228 CO 0.00 0.52 0.18 0.93 0.00 0.00 0.00 179.25 180.88 3kdz h GLU 229 N 0.09 1.01 0.11 0.00 5.08 -0.76 -0.10 114.58 120.01 3kdz h GLU 229 Ca -0.13 -0.22 -0.01 0.00 -1.00 0.00 0.00 59.36 58.01 3kdz h GLU 229 Cb 1.61 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 30.71 3kdz h GLU 229 CO 0.18 0.88 -0.05 0.82 -1.00 0.00 0.00 179.01 179.83 3kdz h ILE 230 N 0.97 0.92 -0.02 3.13 2.04 -0.66 -0.42 117.51 123.47 3kdz h ILE 230 Ca 0.21 -0.10 -0.14 0.00 1.00 0.00 0.00 64.86 65.83 3kdz h ILE 230 Cb 0.31 0.98 -0.02 0.00 -0.74 0.00 0.00 36.82 37.36 3kdz h ILE 230 CO -0.00 0.03 -0.63 1.62 0.00 0.00 0.00 178.15 179.16 3kdz h VAL 231 N -0.20 1.44 -0.68 1.67 3.04 -1.42 -2.56 116.25 117.55 3kdz h VAL 231 Ca -0.02 -2.12 -0.02 0.00 -1.01 0.00 0.00 66.70 63.53 3kdz h VAL 231 Cb 0.16 2.13 -0.03 0.00 -2.01 0.00 0.00 31.29 31.54 3kdz h VAL 231 CO 0.03 0.61 0.34 0.74 -1.01 0.00 0.00 177.57 178.27 3kdz h THR 232 N 0.04 1.21 -0.32 3.17 2.02 -0.77 -0.11 112.91 118.15 3kdz h THR 232 Ca -0.01 -0.59 -0.09 0.00 0.77 0.00 0.00 66.41 66.50 3kdz h THR 232 Cb 1.12 0.34 -0.01 0.00 -1.74 0.00 0.00 68.15 67.86 3kdz h THR 232 CO 0.09 0.25 -0.14 0.00 0.37 0.00 0.00 175.52 176.09 3kdz h ALA 233 N 1.42 0.44 -0.49 6.16 0.00 -0.86 -1.28 119.26 124.64 3kdz h ALA 233 Ca 0.24 -0.33 0.01 0.00 0.00 0.00 0.00 54.91 54.83 3kdz h ALA 233 Cb 0.08 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 3kdz h ALA 233 CO -0.03 0.33 0.31 1.25 0.00 0.00 0.00 179.25 181.11 3kdz h LEU 234 N 0.42 0.52 -0.51 0.00 5.85 -1.01 -2.12 115.31 118.47 3kdz h LEU 234 Ca 0.07 -0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.77 3kdz h LEU 234 Cb 0.66 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.55 3kdz h LEU 234 CO 0.04 0.38 0.25 0.25 -0.34 0.00 0.00 178.44 179.01 3kdz h LEU 235 N 0.63 0.67 -1.12 2.25 6.46 -0.93 -0.31 115.31 122.95 3kdz h LEU 235 Ca 0.19 -0.13 0.04 0.00 -0.12 0.00 0.00 57.88 57.86 3kdz h LEU 235 Cb -0.03 -0.17 -0.05 0.00 -0.73 0.00 0.00 40.66 39.67 3kdz h LEU 235 CO -0.06 0.61 0.60 0.40 -0.62 0.00 0.00 178.44 179.36 3kdz h ILE 236 N 0.68 1.14 0.07 4.05 2.04 -0.84 -1.98 117.51 122.66 3kdz h ILE 236 Ca 0.17 -0.39 -0.00 0.00 1.00 0.00 0.00 64.86 65.64 3kdz h ILE 236 Cb 0.12 -0.08 0.00 0.00 -0.74 0.00 0.00 36.82 36.11 3kdz h ILE 236 CO -0.02 0.21 -0.03 -0.33 0.00 0.00 0.00 178.15 177.97 3kdz h GLU 237 N 1.13 -0.09 -0.21 2.37 5.08 -1.07 0.16 114.58 121.96 3kdz h GLU 237 Ca 0.37 0.01 0.06 0.00 -1.00 0.00 0.00 59.36 58.79 3kdz h GLU 237 Cb 0.04 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 3kdz h GLU 237 CO -0.11 0.39 0.44 0.00 -1.00 0.00 0.00 179.01 178.72 3kdz h ALA 238 N 0.25 1.75 -0.24 3.43 0.00 -0.67 0.46 119.26 124.25 3kdz h ALA 238 Ca -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3kdz h ALA 238 Cb 0.52 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.32 3kdz h ALA 238 CO 0.02 -0.54 0.00 1.55 0.00 0.00 0.00 179.25 180.27 3kdz n VAL 239 N -3.24 1.03 -3.78 0.00 3.14 -0.78 -4.89 118.33 109.82 3kdz n VAL 239 Ca 0.03 -1.03 -0.23 0.00 -2.96 0.00 0.00 64.34 60.15 3kdz n VAL 239 Cb 0.55 0.48 0.02 0.00 -1.06 0.00 0.00 33.84 33.82 3kdz n VAL 239 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 3kdz n ARG 240 N 0.17 -4.17 -1.63 1.45 1.74 0.16 -4.98 116.66 109.41 3kdz n ARG 240 Ca 0.08 0.54 -0.29 0.00 -0.77 0.00 0.00 57.85 57.42 3kdz n ARG 240 Cb 0.38 -4.92 0.13 0.00 -1.02 0.00 0.00 32.46 27.03 3kdz n ARG 240 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 3kdz s GLY 241 N -4.32 1.58 0.54 -0.13 0.00 0.52 -4.34 107.32 101.18 3kdz s GLY 241 Ca 0.03 -0.57 -0.17 0.00 0.00 0.00 0.00 44.72 44.01 3kdz s GLY 241 CO 0.84 -0.02 1.03 -0.45 0.00 0.00 0.00 173.10 174.49 3kdz s SER 242 N -4.18 6.20 -0.00 1.64 0.15 -1.26 -1.97 113.70 114.28 3kdz s SER 242 Ca 0.64 1.74 0.22 0.00 0.70 0.00 0.00 55.95 59.25 3kdz s SER 242 Cb -0.14 -2.53 -0.21 0.00 -1.71 0.00 0.00 66.02 61.44 3kdz s SER 242 CO 0.52 -0.88 0.79 0.35 1.20 0.00 0.00 173.24 175.23 3kdz n THR 243 N -1.67 0.03 -0.28 6.45 -2.24 -0.87 -4.55 114.28 111.15 3kdz n THR 243 Ca 0.08 -0.20 0.06 0.00 -2.27 0.00 0.00 64.05 61.72 3kdz n THR 243 Cb 0.53 0.54 0.16 0.00 -2.10 0.00 0.00 70.33 69.47 3kdz n THR 243 CO 0.00 0.00 0.00 -1.28 -0.57 0.00 0.00 175.07 173.22 3kdz h SER 244 N 0.00 -0.51 -0.15 3.42 0.87 -1.94 -1.21 113.55 114.04 3kdz h SER 244 Ca 0.00 0.23 0.04 0.00 -1.23 0.00 0.00 61.79 60.83 3kdz h SER 244 Cb 0.70 0.42 -0.01 0.00 -0.44 0.00 0.00 62.40 63.07 3kdz h SER 244 CO 0.00 -0.24 0.36 -0.65 -0.53 0.00 0.00 176.83 175.78 3kdz h PRO 245 N 0.05 0.00 -0.02 2.24 0.11 -1.88 -1.80 132.00 130.70 3kdz h PRO 245 Ca 0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.55 3kdz h PRO 245 Cb 0.76 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.87 3kdz h PRO 245 CO -0.77 0.00 -0.15 1.19 -0.21 0.00 0.00 178.00 178.07 3kdz n PHE 246 N -3.21 0.00 -1.69 0.65 3.72 -0.46 -4.88 117.46 111.59 3kdz n PHE 246 Ca 0.01 0.00 -0.44 0.00 -0.05 0.00 0.00 57.45 56.98 3kdz n PHE 246 Cb 0.46 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 38.98 3kdz n PHE 246 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 3kdz n LEU 247 N 0.82 3.43 -0.20 4.37 4.77 -0.68 -4.74 117.00 124.78 3kdz n LEU 247 Ca 0.12 1.17 0.09 0.00 -0.03 0.00 0.00 56.01 57.35 3kdz n LEU 247 Cb 0.52 -1.47 0.37 0.00 -2.33 0.00 0.00 43.42 40.51 3kdz n LEU 247 CO 0.18 -0.40 1.22 0.00 -1.33 0.00 0.00 177.39 177.06 3kdz h ALA 248 N 3.71 1.77 -0.56 -1.18 0.00 -1.94 -2.00 119.26 119.07 3kdz h ALA 248 Ca -0.46 -0.01 0.10 0.00 0.00 0.00 0.00 54.91 54.54 3kdz h ALA 248 Cb 1.27 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.86 3kdz h ALA 248 CO 0.72 0.07 0.38 1.05 0.00 0.00 0.00 179.25 181.47 3kdz h GLU 249 N 0.71 0.34 -0.64 0.00 9.09 -1.97 0.14 114.58 122.25 3kdz h GLU 249 Ca 0.35 -0.02 -0.03 0.00 0.05 0.00 0.00 59.36 59.70 3kdz h GLU 249 Cb 0.42 -0.08 -0.03 0.00 -1.65 0.00 0.00 28.75 27.42 3kdz h GLU 249 CO -0.13 0.22 0.26 0.78 0.05 0.00 0.00 179.01 180.20 3kdz h GLY 250 N 0.35 1.02 0.00 1.06 0.00 -1.72 -2.01 103.07 101.77 3kdz h GLY 250 Ca 0.26 -0.55 -0.36 0.00 0.00 0.00 0.00 47.33 46.68 3kdz h GLY 250 CO -0.06 0.52 -2.20 1.42 0.00 0.00 0.00 176.54 176.21 3kdz n HIS 251 N -4.44 0.00 -0.22 5.60 8.25 -0.60 -2.73 115.22 121.08 3kdz n HIS 251 Ca 0.04 0.00 0.02 0.00 -0.26 0.00 0.00 57.72 57.52 3kdz n HIS 251 Cb 0.16 -0.77 0.26 0.00 1.12 0.00 0.00 29.99 30.76 3kdz n HIS 251 CO 0.00 0.00 0.00 -0.44 0.64 0.00 0.00 176.34 176.54 3kdz h ASP 252 N -0.73 0.84 0.00 0.41 5.19 -0.97 -2.25 116.42 118.90 3kdz h ASP 252 Ca -0.54 -0.01 -0.31 0.00 -0.62 0.00 0.00 57.03 55.54 3kdz h ASP 252 Cb 1.49 -0.20 -0.05 0.00 0.18 0.00 0.00 39.33 40.75 3kdz h ASP 252 CO -0.32 0.59 -2.11 -0.38 -3.12 0.00 0.00 179.24 173.90 3kdz n ILE 253 N -4.44 1.11 0.05 0.35 5.41 -1.22 -4.57 119.36 116.05 3kdz n ILE 253 Ca 0.09 -0.37 -0.09 0.00 1.00 0.00 0.00 62.75 63.38 3kdz n ILE 253 Cb 0.08 -1.40 -0.13 0.00 -0.71 0.00 0.00 39.64 37.49 3kdz n ILE 253 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3kdz h ALA 254 N -0.27 0.39 -1.44 -1.39 0.00 -1.38 -3.42 119.26 111.75 3kdz h ALA 254 Ca -0.46 -1.04 -0.30 0.00 0.00 0.00 0.00 54.91 53.11 3kdz h ALA 254 Cb 1.59 0.03 -0.24 0.00 0.00 0.00 0.00 17.79 19.17 3kdz h ALA 254 CO -0.16 1.27 -0.66 -2.13 0.00 0.00 0.00 179.25 177.57 3kdz n ARG 255 N -3.32 0.43 -0.44 0.00 0.63 -1.10 -4.99 116.66 107.86 3kdz n ARG 255 Ca -0.06 -2.43 -0.05 0.00 -0.92 0.00 0.00 57.85 54.40 3kdz n ARG 255 Cb 0.98 -1.53 -0.07 0.00 0.45 0.00 0.00 32.46 32.29 3kdz n ARG 255 CO 0.00 0.00 0.00 -0.35 -2.51 0.00 0.00 177.63 174.77 3kdz n PRO 256 N 2.84 0.88 -2.62 -0.14 -0.04 -0.86 -4.66 135.00 130.41 3kdz n PRO 256 Ca 0.22 -0.40 -0.41 0.00 -0.04 0.00 0.00 63.50 62.86 3kdz n PRO 256 Cb 0.54 -1.66 -0.04 0.00 -0.04 0.00 0.00 33.50 32.30 3kdz n PRO 256 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 3kdz s HIS 257 N 1.86 3.65 0.18 0.54 3.76 -1.26 -4.93 115.29 119.08 3kdz s HIS 257 Ca 0.27 1.64 -0.15 0.00 -0.15 0.00 0.00 55.06 56.67 3kdz s HIS 257 Cb 0.13 -3.19 0.14 0.00 1.11 0.00 0.00 32.58 30.77 3kdz s HIS 257 CO 0.00 -0.31 1.70 1.49 -0.85 0.00 0.00 174.74 176.77 3kdz h GLU 258 N 6.02 0.12 -0.55 1.40 4.81 -1.94 -1.40 114.58 123.05 3kdz h GLU 258 Ca -0.42 -0.01 0.02 0.00 -0.13 0.00 0.00 59.36 58.82 3kdz h GLU 258 Cb 1.21 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 30.53 3kdz h GLU 258 CO 0.75 0.08 0.34 0.78 -0.73 0.00 0.00 179.01 180.23 3kdz h GLY 259 N 0.12 0.78 1.00 1.92 0.00 -1.92 -0.28 103.07 104.70 3kdz h GLY 259 Ca 0.22 -0.26 0.00 0.00 0.00 0.00 0.00 47.33 47.29 3kdz h GLY 259 CO -0.36 0.24 0.27 -1.61 0.00 0.00 0.00 176.54 175.08 3kdz h GLN 260 N 0.69 0.56 -0.51 4.80 4.15 -1.57 -0.34 115.11 122.89 3kdz h GLN 260 Ca 0.22 -0.04 -0.01 0.00 0.77 0.00 0.00 58.65 59.59 3kdz h GLN 260 Cb -0.01 -0.12 -0.02 0.00 0.21 0.00 0.00 27.48 27.53 3kdz h GLN 260 CO -0.08 0.39 0.30 0.82 -1.93 0.00 0.00 178.83 178.33 3kdz h ILE 261 N 0.56 1.16 -0.84 2.39 2.04 -0.98 -1.12 117.51 120.73 3kdz h ILE 261 Ca 0.15 -0.38 -0.03 0.00 1.00 0.00 0.00 64.86 65.59 3kdz h ILE 261 Cb -0.04 0.49 -0.04 0.00 -0.74 0.00 0.00 36.82 36.49 3kdz h ILE 261 CO -0.03 0.17 0.39 0.44 0.00 0.00 0.00 178.15 179.12 3kdz h ASP 262 N 0.69 1.12 -0.18 1.72 3.32 -0.45 -0.74 116.42 121.90 3kdz h ASP 262 Ca 0.18 -0.14 -0.21 0.00 0.02 0.00 0.00 57.03 56.88 3kdz h ASP 262 Cb 0.01 -0.29 0.01 0.00 0.22 0.00 0.00 39.33 39.28 3kdz h ASP 262 CO -0.03 0.95 -0.71 0.74 -1.72 0.00 0.00 179.24 178.46 3kdz h THR 263 N 1.21 1.28 -0.89 0.35 2.02 -0.89 -0.99 112.91 115.00 3kdz h THR 263 Ca 0.29 -1.91 -0.01 0.00 0.77 0.00 0.00 66.41 65.54 3kdz h THR 263 Cb 0.14 1.92 -0.04 0.00 -1.74 0.00 0.00 68.15 68.43 3kdz h THR 263 CO -0.03 0.61 0.50 0.00 0.37 0.00 0.00 175.52 176.96 3kdz h ALA 264 N 0.57 1.20 0.34 6.16 0.00 -1.05 0.18 119.26 126.66 3kdz h ALA 264 Ca -0.04 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.73 3kdz h ALA 264 Cb 1.34 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 18.78 3kdz h ALA 264 CO 0.15 0.65 -0.16 0.00 0.00 0.00 0.00 179.25 179.89 3kdz h ALA 265 N 1.30 -0.46 -0.74 0.00 0.00 -1.02 -1.92 119.26 116.43 3kdz h ALA 265 Ca 0.32 -0.15 0.05 0.00 0.00 0.00 0.00 54.91 55.13 3kdz h ALA 265 Cb 0.01 0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.93 3kdz h ALA 265 CO -0.05 -0.68 0.48 -0.91 0.00 0.00 0.00 179.25 178.09 3kdz h ASN 266 N -0.61 0.73 -0.60 0.00 2.35 -0.93 -2.08 115.58 114.43 3kdz h ASN 266 Ca -0.05 -0.00 -0.10 0.00 -0.55 0.00 0.00 56.30 55.60 3kdz h ASN 266 Cb 0.44 -0.16 -0.02 0.00 0.05 0.00 0.00 38.32 38.63 3kdz h ASN 266 CO 0.08 0.49 -0.02 0.24 -1.65 0.00 0.00 177.43 176.56 3kdz h MET 267 N 0.84 1.07 -0.58 0.81 2.86 -0.78 -1.33 114.93 117.81 3kdz h MET 267 Ca 0.31 -0.35 -0.09 0.00 -2.06 0.00 0.00 59.70 57.50 3kdz h MET 267 Cb 0.15 -0.09 -0.02 0.00 0.06 0.00 0.00 31.60 31.70 3kdz h MET 267 CO -0.10 1.06 0.01 0.00 1.06 0.00 0.00 176.91 178.95 3kdz h ARG 268 N 0.97 1.00 -0.45 1.72 3.08 -0.77 -2.18 114.38 117.76 3kdz h ARG 268 Ca 0.17 -0.30 -0.08 0.00 0.07 0.00 0.00 59.98 59.84 3kdz h ARG 268 Cb 0.59 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.52 3kdz h ARG 268 CO 0.04 0.97 -0.05 0.00 -1.07 0.00 0.00 179.97 179.86 3kdz h ALA 269 N 1.08 0.61 -0.10 0.04 0.00 -1.18 -1.63 119.26 118.08 3kdz h ALA 269 Ca 0.17 -0.30 -0.09 0.00 0.00 0.00 0.00 54.91 54.69 3kdz h ALA 269 Cb 0.51 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 3kdz h ALA 269 CO 0.03 0.45 -0.35 -0.07 0.00 0.00 0.00 179.25 179.30 3kdz h LEU 270 N 0.66 0.21 -1.05 0.00 3.38 -1.12 -3.02 115.31 114.38 3kdz h LEU 270 Ca 0.12 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.01 3kdz h LEU 270 Cb 0.56 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.25 3kdz h LEU 270 CO 0.03 0.56 -0.30 0.23 0.09 0.00 0.00 178.44 179.05 3kdz n MET 271 N -4.08 1.37 -1.76 1.13 2.81 -0.83 -4.29 117.12 111.47 3kdz n MET 271 Ca -0.01 -1.05 -0.41 0.00 -1.81 0.00 0.00 57.70 54.41 3kdz n MET 271 Cb 0.43 -1.48 -0.01 0.00 -0.71 0.00 0.00 33.22 31.45 3kdz n MET 271 CO 0.00 0.00 0.00 -2.13 1.51 0.00 0.00 175.97 175.35 3kdz n ARG 272 N 0.10 2.73 -1.80 0.03 0.63 -0.62 -1.85 116.66 115.89 3kdz n ARG 272 Ca 0.12 0.97 -0.05 0.00 -0.92 0.00 0.00 57.85 57.96 3kdz n ARG 272 Cb 0.46 -2.75 -0.01 0.00 0.45 0.00 0.00 32.46 30.61 3kdz n ARG 272 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3kdz n GLY 273 N 1.73 0.35 3.80 5.14 0.00 -1.26 -4.45 105.19 110.51 3kdz n GLY 273 Ca 0.07 -0.71 -0.38 0.00 0.00 0.00 0.00 46.02 44.99 3kdz n GLY 273 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3kdz s SER 274 N -2.82 7.19 0.00 1.61 0.15 -0.77 -4.44 113.70 114.62 3kdz s SER 274 Ca 0.00 1.45 0.22 0.00 0.70 0.00 0.00 55.95 58.32 3kdz s SER 274 Cb 0.00 -2.43 -0.06 0.00 -1.71 0.00 0.00 66.02 61.82 3kdz s SER 274 CO 0.00 0.19 1.00 0.61 1.20 0.00 0.00 173.24 176.24 3kdz n GLY 275 N 1.43 -1.07 0.12 9.45 0.00 -0.14 -4.42 105.19 110.56 3kdz n GLY 275 Ca -0.07 -0.53 -0.18 0.00 0.00 0.00 0.00 46.02 45.25 3kdz n GLY 275 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3kdz n LEU 276 N -1.56 2.19 -4.72 0.99 4.77 -1.20 -4.97 117.00 112.50 3kdz n LEU 276 Ca 0.04 0.21 -0.33 0.00 -0.03 0.00 0.00 56.01 55.89 3kdz n LEU 276 Cb 0.35 -0.75 0.11 0.00 -2.33 0.00 0.00 43.42 40.79 3kdz n LEU 276 CO 0.41 0.75 0.77 0.42 -1.33 0.00 0.00 177.39 178.41 3kdz s THR 277 N -2.56 2.34 -0.03 -5.08 -4.23 -1.26 -4.45 115.64 100.37 3kdz s THR 277 Ca -0.19 0.15 0.06 0.00 -1.18 0.00 0.00 61.69 60.53 3kdz s THR 277 Cb 0.07 -2.61 -0.02 0.00 1.34 0.00 0.00 72.50 71.28 3kdz s THR 277 CO 0.77 -0.10 -0.22 0.68 -0.54 0.00 0.00 174.62 175.20 3kdz s VAL 278 N -2.18 2.41 0.29 2.29 -7.23 -0.83 -4.98 120.40 110.17 3kdz s VAL 278 Ca 0.72 -0.98 -0.22 0.00 -1.81 0.00 0.00 61.98 59.69 3kdz s VAL 278 Cb -0.27 -1.88 -0.09 0.00 0.56 0.00 0.00 36.38 34.70 3kdz s VAL 278 CO 0.48 0.58 0.83 -1.61 -0.31 0.00 0.00 175.10 175.08 3kdz s GLU 279 N -0.67 4.35 0.19 4.82 0.41 -1.26 -2.05 118.70 124.50 3kdz s GLU 279 Ca 0.11 1.05 -0.14 0.00 -0.41 0.00 0.00 54.97 55.57 3kdz s GLU 279 Cb -0.10 -2.73 0.19 0.00 -1.78 0.00 0.00 34.13 29.71 3kdz s GLU 279 CO -0.00 0.28 1.65 1.25 -0.49 0.00 0.00 175.26 177.95 3kdz h HIS 280 N 3.04 -0.22 -0.99 1.61 -0.00 -1.96 -0.69 115.15 115.94 3kdz h HIS 280 Ca -0.48 0.05 0.21 0.00 -0.00 0.00 0.00 60.37 60.15 3kdz h HIS 280 Cb 1.19 0.18 -0.10 0.00 -0.00 0.00 0.00 27.41 28.68 3kdz h HIS 280 CO 0.62 -0.20 0.62 0.00 -0.00 0.00 0.00 177.93 178.97 3kdz h ALA 281 N 1.52 1.91 -0.34 5.26 0.00 -1.99 0.13 119.26 125.75 3kdz h ALA 281 Ca 0.26 0.07 -0.07 0.00 0.00 0.00 0.00 54.91 55.17 3kdz h ALA 281 Cb 0.40 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 3kdz h ALA 281 CO -0.52 -0.28 -0.06 -0.44 0.00 0.00 0.00 179.25 177.95 3kdz h ASP 282 N 0.60 0.64 0.09 0.00 3.32 -1.52 -1.50 116.42 118.06 3kdz h ASP 282 Ca 0.57 -0.35 -0.00 0.00 0.02 0.00 0.00 57.03 57.26 3kdz h ASP 282 Cb 1.11 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 40.48 3kdz h ASP 282 CO -0.33 0.84 -0.04 -0.07 -1.72 0.00 0.00 179.24 177.92 3kdz h LEU 283 N 0.43 -0.11 -0.85 1.55 3.38 -0.72 0.18 115.31 119.19 3kdz h LEU 283 Ca 0.09 -0.13 0.17 0.00 0.09 0.00 0.00 57.88 58.10 3kdz h LEU 283 Cb 0.55 0.03 -0.10 0.00 0.09 0.00 0.00 40.66 41.22 3kdz h LEU 283 CO 0.03 0.06 0.40 -0.09 0.09 0.00 0.00 178.44 178.93 3kdz h ARG 284 N -0.27 0.50 0.04 1.13 2.43 -0.81 0.34 114.38 117.75 3kdz h ARG 284 Ca -0.01 -0.03 -0.28 0.00 -0.81 0.00 0.00 59.98 58.85 3kdz h ARG 284 Cb 0.23 -0.11 0.02 0.00 -0.42 0.00 0.00 29.97 29.69 3kdz h ARG 284 CO 0.02 0.33 -1.12 0.00 -1.51 0.00 0.00 179.97 177.70 3kdz h ARG 285 N 0.52 0.67 -0.34 0.20 3.08 -0.98 -1.98 114.38 115.55 3kdz h ARG 285 Ca 0.48 -0.78 -0.05 0.00 0.07 0.00 0.00 59.98 59.70 3kdz h ARG 285 Cb 0.77 0.24 -0.01 0.00 0.08 0.00 0.00 29.97 31.05 3kdz h ARG 285 CO -0.42 1.34 0.03 1.49 -1.07 0.00 0.00 179.97 181.35 3kdz h GLU 286 N 0.35 0.59 -0.72 0.04 4.81 -0.02 -2.29 114.58 117.34 3kdz h GLU 286 Ca -0.15 -0.17 -0.01 0.00 -0.13 0.00 0.00 59.36 58.90 3kdz h GLU 286 Cb 1.78 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 31.06 3kdz h GLU 286 CO 0.22 0.68 0.43 1.25 -0.73 0.00 0.00 179.01 180.86 3kdz h LEU 287 N 0.41 0.87 -0.25 1.64 5.85 -0.41 -2.52 115.31 120.90 3kdz h LEU 287 Ca 0.10 -0.07 -0.00 0.00 0.84 0.00 0.00 57.88 58.75 3kdz h LEU 287 Cb 0.40 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.20 3kdz h LEU 287 CO 0.01 0.68 0.15 -0.61 -0.34 0.00 0.00 178.44 178.33 3kdz h GLN 288 N 0.98 0.33 0.00 1.25 5.75 -1.20 -2.07 115.11 120.16 3kdz h GLN 288 Ca 0.26 -0.03 -0.01 0.00 -0.15 0.00 0.00 58.65 58.72 3kdz h GLN 288 Cb -0.02 -0.07 -0.00 0.00 1.07 0.00 0.00 27.48 28.45 3kdz h GLN 288 CO -0.05 0.26 -0.05 0.87 -2.65 0.00 0.00 178.83 177.21 3kdz h LYS 289 N 0.31 0.00 0.00 1.69 1.79 -1.24 -0.75 116.57 118.38 3kdz h LYS 289 Ca 0.09 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.56 3kdz h LYS 289 Cb 0.01 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.66 3kdz h LYS 289 CO -0.02 0.05 0.00 -3.47 -1.08 0.00 0.00 179.45 174.93 3kdz n ASP 290 N -4.41 0.00 -4.88 0.86 2.03 -0.79 -4.80 116.55 104.56 3kdz n ASP 290 Ca -0.03 -0.05 -0.36 0.00 0.52 0.00 0.00 54.79 54.87 3kdz n ASP 290 Cb 0.13 -0.28 -0.06 0.00 -0.72 0.00 0.00 41.12 40.19 3kdz n ASP 290 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 3kdz s LYS 291 N -2.56 3.53 -0.39 -0.67 1.02 -0.29 -5.03 119.74 115.35 3kdz s LYS 291 Ca 0.22 -0.07 -0.16 0.00 0.02 0.00 0.00 55.97 55.98 3kdz s LYS 291 Cb 0.15 -3.17 0.01 0.00 -0.52 0.00 0.00 37.83 34.30 3kdz s LYS 291 CO 0.34 0.74 0.39 -1.21 -0.92 0.00 0.00 175.35 174.69 3kdz s GLU 292 N -1.24 3.26 0.00 1.68 2.02 -1.26 -4.94 118.70 118.21 3kdz s GLU 292 Ca 0.19 -0.66 0.00 0.00 0.02 0.00 0.00 54.97 54.52 3kdz s GLU 292 Cb -0.13 -3.91 0.00 0.00 0.10 0.00 0.00 34.13 30.19 3kdz s GLU 292 CO 0.09 -0.72 0.71 0.00 0.02 0.00 0.00 175.26 175.36 3kdz n ALA 293 N 5.47 1.08 0.11 5.21 0.00 -1.26 -2.65 120.51 128.46 3kdz n ALA 293 Ca -0.08 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.34 3kdz n ALA 293 Cb 0.48 -0.88 -0.00 0.00 0.00 0.00 0.00 19.45 19.05 3kdz n ALA 293 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3kdz h GLY 294 N 0.00 0.00 -4.11 0.00 0.00 -2.04 -3.46 103.07 93.45 3kdz h GLY 294 Ca 0.00 0.00 -0.61 0.00 0.00 0.00 0.00 47.33 46.72 3kdz h GLY 294 CO 0.00 0.00 -0.84 0.54 0.00 0.00 0.00 176.54 176.24 3kdz s LYS 295 N -2.95 1.25 0.09 4.80 -0.14 -1.08 -5.06 119.74 116.64 3kdz s LYS 295 Ca 0.02 -1.21 -0.16 0.00 -1.36 0.00 0.00 55.97 53.25 3kdz s LYS 295 Cb 0.09 -1.58 -0.08 0.00 -1.68 0.00 0.00 37.83 34.58 3kdz s LYS 295 CO 0.77 0.37 1.45 -0.44 -0.76 0.00 0.00 175.35 176.74 3kdz h ASP 296 N 4.06 0.63 -3.11 2.83 3.32 -1.90 -3.43 116.42 118.82 3kdz h ASP 296 Ca -0.48 -0.42 -0.63 0.00 0.02 0.00 0.00 57.03 55.52 3kdz h ASP 296 Cb 1.17 -0.17 -0.35 0.00 0.22 0.00 0.00 39.33 40.20 3kdz h ASP 296 CO 0.40 0.91 -0.84 0.68 -1.72 0.00 0.00 179.24 178.67 3kdz s VAL 297 N -4.55 1.77 0.04 -1.35 -7.23 -1.26 -5.12 120.40 102.71 3kdz s VAL 297 Ca -0.13 -0.76 -0.00 0.00 -1.81 0.00 0.00 61.98 59.27 3kdz s VAL 297 Cb 0.08 -1.63 -0.03 0.00 0.56 0.00 0.00 36.38 35.36 3kdz s VAL 297 CO 0.80 0.49 -0.04 0.00 -0.31 0.00 0.00 175.10 176.04 3kdz s GLN 298 N 1.36 0.51 0.24 4.82 -2.07 -1.26 -5.16 119.66 118.09 3kdz s GLN 298 Ca 0.04 -0.97 -0.07 0.00 -1.82 0.00 0.00 55.36 52.53 3kdz s GLN 298 Cb -0.13 0.12 -0.06 0.00 -1.09 0.00 0.00 33.01 31.84 3kdz s GLN 298 CO -0.11 -0.07 0.53 1.03 -1.32 0.00 0.00 175.29 175.35 3kdz s ARG 299 N -2.87 3.72 0.03 9.60 0.52 -1.26 -5.11 118.95 123.58 3kdz s ARG 299 Ca -0.02 0.13 -0.11 0.00 -0.52 0.00 0.00 55.73 55.21 3kdz s ARG 299 Cb 0.00 -2.67 0.01 0.00 0.52 0.00 0.00 34.95 32.81 3kdz s ARG 299 CO -0.06 0.30 0.22 0.45 0.02 0.00 0.00 175.30 176.23 3kdz s SER 300 N -2.66 -0.03 0.00 0.23 0.15 -1.26 -5.04 113.70 105.09 3kdz s SER 300 Ca 0.45 -0.24 0.24 0.00 0.70 0.00 0.00 55.95 57.10 3kdz s SER 300 Cb -0.11 0.29 0.38 0.00 -1.71 0.00 0.00 66.02 64.87 3kdz s SER 300 CO 0.25 -0.52 1.38 -0.62 1.20 0.00 0.00 173.24 174.93 3kdz n GLU 301 N 0.89 2.45 -3.57 5.44 1.02 -1.26 -4.91 120.64 120.70 3kdz n GLU 301 Ca -0.20 -2.18 -0.36 0.00 -0.02 0.00 0.00 57.16 54.40 3kdz n GLU 301 Cb 0.58 -1.50 -0.07 0.00 -0.02 0.00 0.00 31.44 30.43 3kdz n GLU 301 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 3kdz s ILE 302 N -1.63 5.31 -0.44 -3.67 1.01 -1.26 -5.06 121.20 115.47 3kdz s ILE 302 Ca 0.36 0.50 -0.12 0.00 0.00 0.00 0.00 60.65 61.40 3kdz s ILE 302 Cb 0.22 -3.61 0.08 0.00 0.01 0.00 0.00 42.46 39.16 3kdz s ILE 302 CO 0.31 0.41 0.31 -0.31 0.00 0.00 0.00 174.94 175.67 3kdz s TYR 303 N 0.31 3.30 0.43 3.97 2.02 -1.26 -4.94 117.35 121.18 3kdz s TYR 303 Ca 0.16 -1.27 0.17 0.00 -0.37 0.00 0.00 57.07 55.75 3kdz s TYR 303 Cb -0.13 -3.03 1.08 0.00 -0.40 0.00 0.00 41.96 39.47 3kdz s TYR 303 CO 0.04 -0.82 1.91 1.25 -1.57 0.00 0.00 175.55 176.35 3kdz h LEU 304 N 8.55 0.37 -9.00 -1.29 5.85 -1.97 -3.41 115.31 114.41 3kdz h LEU 304 Ca -0.25 0.02 -0.48 0.00 0.84 0.00 0.00 57.88 58.01 3kdz h LEU 304 Cb 1.09 -0.05 -0.14 0.00 0.37 0.00 0.00 40.66 41.93 3kdz h LEU 304 CO 0.81 0.18 -0.72 -1.10 -0.34 0.00 0.00 178.44 177.27 3kdz s GLN 305 N -5.39 1.44 0.44 1.25 -0.21 -1.26 -4.97 119.66 110.96 3kdz s GLN 305 Ca -0.08 -1.67 0.08 0.00 0.02 0.00 0.00 55.36 53.71 3kdz s GLN 305 Cb 0.21 -1.20 -0.01 0.00 1.00 0.00 0.00 33.01 33.02 3kdz s GLN 305 CO 0.77 0.15 0.41 0.15 -2.12 0.00 0.00 175.29 174.65 3kdz s LYS 306 N -3.66 2.49 1.10 2.91 -0.14 -1.26 -5.09 119.74 116.09 3kdz s LYS 306 Ca 0.25 -1.60 -0.12 0.00 -1.36 0.00 0.00 55.97 53.14 3kdz s LYS 306 Cb 0.00 -2.37 0.25 0.00 -1.68 0.00 0.00 37.83 34.03 3kdz s LYS 306 CO 0.09 -0.29 1.05 0.00 -0.76 0.00 0.00 175.35 175.45 3kdz s ALA 307 N -2.52 0.06 0.22 5.17 0.00 -1.26 -4.72 121.76 118.71 3kdz s ALA 307 Ca 0.47 -0.08 -0.08 0.00 0.00 0.00 0.00 51.96 52.28 3kdz s ALA 307 Cb -0.03 -3.25 0.33 0.00 0.00 0.00 0.00 23.12 20.17 3kdz s ALA 307 CO 0.28 -3.50 1.73 1.88 0.00 0.00 0.00 175.76 176.15 3kdz h TYR 308 N -2.38 0.40 0.00 0.00 -1.99 -1.99 -1.77 116.97 109.24 3kdz h TYR 308 Ca -0.58 0.03 0.00 0.00 2.00 0.00 0.00 58.73 60.19 3kdz h TYR 308 Cb 1.32 -0.08 0.00 0.00 2.00 0.00 0.00 36.73 39.97 3kdz h TYR 308 CO 0.30 0.07 0.02 -1.13 -0.00 0.00 0.00 178.16 177.43 3kdz n SER 309 N -5.02 0.00 -0.16 3.88 3.41 -1.26 0.10 113.62 114.57 3kdz n SER 309 Ca 0.10 0.41 0.03 0.00 -0.26 0.00 0.00 58.87 59.15 3kdz n SER 309 Cb 0.32 -0.41 0.04 0.00 -0.26 0.00 0.00 64.21 63.90 3kdz n SER 309 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3kdz n LEU 310 N -1.41 1.14 0.00 1.04 4.77 -0.70 -4.75 117.00 117.10 3kdz n LEU 310 Ca 0.00 -1.63 0.00 0.00 -0.03 0.00 0.00 56.01 54.35 3kdz n LEU 310 Cb 0.02 -0.13 0.00 0.00 -2.33 0.00 0.00 43.42 40.99 3kdz n LEU 310 CO 0.00 0.39 -0.13 -1.14 -1.33 0.00 0.00 177.39 175.18 3kdz n ARG 311 N -0.54 0.70 -0.57 3.23 0.63 -0.12 -4.84 116.66 115.16 3kdz n ARG 311 Ca 0.05 0.00 0.07 0.00 -0.92 0.00 0.00 57.85 57.05 3kdz n ARG 311 Cb 0.54 -0.63 0.30 0.00 0.45 0.00 0.00 32.46 33.12 3kdz n ARG 311 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3kdz n ALA 312 N -1.20 3.19 -0.21 5.13 0.00 0.11 -4.56 120.51 122.98 3kdz n ALA 312 Ca 0.00 -1.35 0.00 0.00 0.00 0.00 0.00 53.44 52.09 3kdz n ALA 312 Cb 0.13 -1.05 0.11 0.00 0.00 0.00 0.00 19.45 18.65 3kdz n ALA 312 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 3kdz h ILE 313 N 3.27 0.76 -0.65 0.00 5.03 -1.86 -1.94 117.51 122.12 3kdz h ILE 313 Ca 0.00 -0.14 0.02 0.00 -0.12 0.00 0.00 64.86 64.62 3kdz h ILE 313 Cb 1.37 0.32 -0.04 0.00 -3.03 0.00 0.00 36.82 35.44 3kdz h ILE 313 CO 0.26 0.07 0.41 -0.65 -0.68 0.00 0.00 178.15 177.56 3kdz h PRO 314 N 0.40 0.80 0.09 2.37 0.11 -1.89 -0.50 132.00 133.38 3kdz h PRO 314 Ca 0.31 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 66.37 3kdz h PRO 314 Cb 0.40 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 31.33 3kdz h PRO 314 CO -0.32 0.53 -0.04 1.96 -0.21 0.00 0.00 178.00 179.92 3kdz h GLN 315 N 0.82 -0.12 0.36 1.05 7.50 -1.77 -0.94 115.11 122.01 3kdz h GLN 315 Ca 0.26 0.01 -0.02 0.00 0.50 0.00 0.00 58.65 59.40 3kdz h GLN 315 Cb -0.02 0.03 0.00 0.00 0.05 0.00 0.00 27.48 27.54 3kdz h GLN 315 CO -0.09 0.20 -0.17 0.28 -1.50 0.00 0.00 178.83 177.55 3kdz h VAL 316 N -0.44 0.20 -0.20 -0.54 2.07 -1.35 -1.56 116.25 114.43 3kdz h VAL 316 Ca -0.01 -0.70 -0.01 0.00 0.82 0.00 0.00 66.70 66.80 3kdz h VAL 316 Cb 0.37 0.33 -0.01 0.00 -1.52 0.00 0.00 31.29 30.45 3kdz h VAL 316 CO 0.02 0.05 0.07 0.58 0.02 0.00 0.00 177.57 178.31 3kdz h VAL 317 N -1.08 1.09 -0.43 2.57 2.07 -1.24 -1.54 116.25 117.70 3kdz h VAL 317 Ca -0.05 -0.29 -0.02 0.00 0.82 0.00 0.00 66.70 67.15 3kdz h VAL 317 Cb 0.45 0.86 -0.02 0.00 -1.52 0.00 0.00 31.29 31.06 3kdz h VAL 317 CO 0.08 0.11 0.17 1.23 0.02 0.00 0.00 177.57 179.18 3kdz h GLY 318 N 0.42 0.68 1.61 2.17 0.00 -1.20 0.32 103.07 107.08 3kdz h GLY 318 Ca 0.07 -0.37 -0.04 0.00 0.00 0.00 0.00 47.33 47.00 3kdz h GLY 318 CO -0.01 0.35 0.05 0.00 0.00 0.00 0.00 176.54 176.94 3kdz h ALA 319 N 1.02 1.47 -0.26 3.60 0.00 -0.34 0.23 119.26 124.98 3kdz h ALA 319 Ca 0.14 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 3kdz h ALA 319 Cb 0.19 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 3kdz h ALA 319 CO -0.01 0.38 -0.03 0.28 0.00 0.00 0.00 179.25 179.87 3kdz h VAL 320 N 0.48 1.27 -0.40 0.00 2.07 -0.80 -2.32 116.25 116.56 3kdz h VAL 320 Ca 0.11 -0.99 0.03 0.00 0.82 0.00 0.00 66.70 66.67 3kdz h VAL 320 Cb 0.23 1.41 -0.03 0.00 -1.52 0.00 0.00 31.29 31.38 3kdz h VAL 320 CO 0.00 0.31 0.19 0.03 0.02 0.00 0.00 177.57 178.12 3kdz h ARG 321 N 0.23 0.38 -0.84 1.57 3.08 -0.16 -0.55 114.38 118.08 3kdz h ARG 321 Ca 0.07 -0.02 0.10 0.00 0.07 0.00 0.00 59.98 60.20 3kdz h ARG 321 Cb 0.47 -0.09 -0.08 0.00 0.08 0.00 0.00 29.97 30.36 3kdz h ARG 321 CO 0.02 0.25 0.48 -0.44 -1.07 0.00 0.00 179.97 179.21 3kdz h ASP 322 N 0.39 0.68 -0.39 7.04 3.32 -0.85 0.28 116.42 126.89 3kdz h ASP 322 Ca 0.17 0.05 -0.04 0.00 0.02 0.00 0.00 57.03 57.24 3kdz h ASP 322 Cb 0.09 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 39.55 3kdz h ASP 322 CO -0.13 0.37 0.10 0.74 -1.72 0.00 0.00 179.24 178.60 3kdz h THR 323 N 0.79 1.23 -0.14 0.35 2.02 -0.79 -1.95 112.91 114.41 3kdz h THR 323 Ca 0.42 -0.77 -0.09 0.00 0.77 0.00 0.00 66.41 66.74 3kdz h THR 323 Cb 0.42 0.98 -0.01 0.00 -1.74 0.00 0.00 68.15 67.79 3kdz h THR 323 CO -0.27 0.27 -0.33 -0.07 0.37 0.00 0.00 175.52 175.49 3kdz h LEU 324 N 0.49 0.28 -0.23 2.58 3.38 -0.11 -1.20 115.31 120.51 3kdz h LEU 324 Ca 0.12 -0.10 -0.04 0.00 0.09 0.00 0.00 57.88 57.96 3kdz h LEU 324 Cb 0.30 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 3kdz h LEU 324 CO 0.00 0.60 -0.00 1.88 0.09 0.00 0.00 178.44 181.01 3kdz h TYR 325 N 0.24 0.44 -0.15 1.13 0.05 -0.30 0.08 116.97 118.46 3kdz h TYR 325 Ca 0.03 -0.08 0.02 0.00 0.05 0.00 0.00 58.73 58.75 3kdz h TYR 325 Cb 0.70 -0.12 -0.02 0.00 1.01 0.00 0.00 36.73 38.31 3kdz h TYR 325 CO 0.01 0.58 0.03 1.25 -1.05 0.00 0.00 178.16 178.99 3kdz h HIS 326 N 0.18 0.06 -0.39 4.88 2.76 -1.15 -0.50 115.15 120.99 3kdz h HIS 326 Ca 0.07 0.01 0.01 0.00 -2.20 0.00 0.00 60.37 58.26 3kdz h HIS 326 Cb 0.41 -0.00 -0.02 0.00 1.55 0.00 0.00 27.41 29.34 3kdz h HIS 326 CO 0.03 0.02 0.24 0.00 -1.30 0.00 0.00 177.93 176.92 3kdz h ALA 327 N 1.11 0.49 -0.35 5.26 0.00 -1.10 -1.38 119.26 123.28 3kdz h ALA 327 Ca 0.07 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3kdz h ALA 327 Cb 0.06 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 3kdz h ALA 327 CO -0.09 -0.09 0.22 -0.09 0.00 0.00 0.00 179.25 179.20 3kdz h ARG 328 N 0.48 0.47 -0.33 0.00 2.43 -0.63 -1.24 114.38 115.56 3kdz h ARG 328 Ca 0.15 -0.03 -0.04 0.00 -0.81 0.00 0.00 59.98 59.25 3kdz h ARG 328 Cb -0.02 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.42 3kdz h ARG 328 CO -0.06 0.32 0.05 1.25 -1.51 0.00 0.00 179.97 180.02 3kdz h HIS 329 N 0.48 0.58 -0.49 2.20 2.76 -0.23 -1.46 115.15 118.99 3kdz h HIS 329 Ca 0.13 -0.08 -0.11 0.00 -2.20 0.00 0.00 60.37 58.10 3kdz h HIS 329 Cb -0.03 -0.16 -0.01 0.00 1.55 0.00 0.00 27.41 28.76 3kdz h HIS 329 CO 0.00 0.62 -0.14 0.87 -1.30 0.00 0.00 177.93 177.98 3kdz h LYS 330 N 0.37 0.96 -0.72 5.26 1.79 -0.68 -2.79 116.57 120.76 3kdz h LYS 330 Ca 0.10 -0.38 -0.06 0.00 -2.18 0.00 0.00 60.65 58.13 3kdz h LYS 330 Cb 0.36 -0.05 -0.03 0.00 -1.58 0.00 0.00 32.23 30.93 3kdz h LYS 330 CO 0.01 1.05 0.20 -0.07 -1.08 0.00 0.00 179.45 179.56 3kdz h LEU 331 N 0.81 1.06 -0.65 2.94 3.38 -1.17 -0.29 115.31 121.40 3kdz h LEU 331 Ca 0.12 -0.22 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 3kdz h LEU 331 Cb 0.71 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 41.15 3kdz h LEU 331 CO 0.05 1.00 0.39 -0.09 0.09 0.00 0.00 178.44 179.88 3kdz h ARG 332 N 1.07 0.89 -0.02 1.13 2.43 -1.22 0.50 114.38 119.17 3kdz h ARG 332 Ca 0.23 -0.09 -0.00 0.00 -0.81 0.00 0.00 59.98 59.31 3kdz h ARG 332 Cb 0.33 -0.18 -0.00 0.00 -0.42 0.00 0.00 29.97 29.70 3kdz h ARG 332 CO -0.00 0.64 -0.00 0.82 -1.51 0.00 0.00 179.97 179.92 3kdz h ILE 333 N 0.89 1.26 -0.12 1.20 2.04 -1.22 -3.02 117.51 118.53 3kdz h ILE 333 Ca 0.23 -0.77 0.02 0.00 1.00 0.00 0.00 64.86 65.35 3kdz h ILE 333 Cb -0.01 1.74 -0.02 0.00 -0.74 0.00 0.00 36.82 37.79 3kdz h ILE 333 CO -0.04 0.20 0.01 -0.08 0.00 0.00 0.00 178.15 178.24 3kdz h GLU 334 N -0.28 0.05 -0.98 2.37 4.57 -0.72 -1.91 114.58 117.68 3kdz h GLU 334 Ca 0.00 -0.00 0.22 0.00 -1.18 0.00 0.00 59.36 58.40 3kdz h GLU 334 Cb 0.33 -0.01 -0.12 0.00 -0.16 0.00 0.00 28.75 28.79 3kdz h GLU 334 CO 0.00 0.03 0.56 -0.07 -1.18 0.00 0.00 179.01 178.36 3kdz h LEU 335 N 0.05 0.65 -3.09 1.64 3.38 -0.04 0.12 115.31 118.02 3kdz h LEU 335 Ca 0.06 0.12 -0.10 0.00 0.09 0.00 0.00 57.88 58.05 3kdz h LEU 335 Cb 0.06 0.02 -0.06 0.00 0.09 0.00 0.00 40.66 40.77 3kdz h LEU 335 CO -0.09 0.15 0.13 0.59 0.09 0.00 0.00 178.44 179.31 3kdz n ASN 336 N -4.87 4.33 -4.79 -0.43 3.02 -0.78 -4.21 115.26 107.52 3kdz n ASN 336 Ca 0.25 -2.84 -0.22 0.00 -0.03 0.00 0.00 54.58 51.74 3kdz n ASN 336 Cb 0.66 -0.67 -0.05 0.00 -0.61 0.00 0.00 39.78 39.11 3kdz n ASN 336 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 3kdz s SER 337 N -0.63 5.11 -1.19 6.41 1.04 0.40 -4.59 113.70 120.26 3kdz s SER 337 Ca 0.42 -0.51 -0.07 0.00 0.48 0.00 0.00 55.95 56.26 3kdz s SER 337 Cb 0.33 -1.02 0.23 0.00 0.10 0.00 0.00 66.02 65.66 3kdz s SER 337 CO 0.11 -0.21 1.67 0.00 0.98 0.00 0.00 173.24 175.79 3kdz n ALA 338 N -1.21 5.18 -2.62 5.32 0.00 -1.26 -4.56 120.51 121.37 3kdz n ALA 338 Ca -0.04 -4.53 -0.42 0.00 0.00 0.00 0.00 53.44 48.45 3kdz n ALA 338 Cb 0.59 -2.71 -0.02 0.00 0.00 0.00 0.00 19.45 17.32 3kdz n ALA 338 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3kdz s ASN 339 N -0.10 6.64 0.16 0.00 4.22 -1.26 -4.81 114.94 119.78 3kdz s ASN 339 Ca 0.36 -1.87 -0.24 0.00 -2.14 0.00 0.00 52.86 48.97 3kdz s ASN 339 Cb 0.06 -2.55 0.07 0.00 1.28 0.00 0.00 41.25 40.12 3kdz s ASN 339 CO 0.04 -1.34 1.02 -0.62 -2.04 0.00 0.00 177.10 174.17 3kdz s ASP 340 N 4.54 -0.08 -0.17 3.54 2.15 -1.24 -4.04 116.67 121.37 3kdz s ASP 340 Ca 0.47 -0.52 -0.28 0.00 0.43 0.00 0.00 52.55 52.66 3kdz s ASP 340 Cb 0.01 0.47 0.08 0.00 -0.30 0.00 0.00 42.92 43.18 3kdz s ASP 340 CO -0.04 -0.91 0.78 0.21 -0.17 0.00 0.00 175.17 175.04 3kdz s ASN 341 N -3.15 -0.63 0.87 -0.34 2.47 -1.26 -4.27 114.94 108.63 3kdz s ASN 341 Ca 0.17 0.97 -0.11 0.00 0.42 0.00 0.00 52.86 54.30 3kdz s ASN 341 Cb -0.01 0.89 0.16 0.00 -1.45 0.00 0.00 41.25 40.84 3kdz s ASN 341 CO 0.03 -0.39 1.20 -2.16 -3.72 0.00 0.00 177.10 172.07 3kdz s PRO 342 N -0.43 1.12 0.27 0.43 0.04 -1.26 -4.71 135.00 130.46 3kdz s PRO 342 Ca -0.04 -0.55 0.09 0.00 0.04 0.00 0.00 61.00 60.54 3kdz s PRO 342 Cb -0.03 -2.01 -0.05 0.00 0.04 0.00 0.00 34.50 32.45 3kdz s PRO 342 CO 0.04 -2.01 -0.13 -0.51 0.04 0.00 0.00 177.00 174.42 3kdz s LEU 343 N -5.62 2.57 -0.08 -3.56 1.43 -0.29 -4.86 118.68 108.27 3kdz s LEU 343 Ca 0.70 -1.10 0.02 0.00 -1.03 0.00 0.00 54.13 52.72 3kdz s LEU 343 Cb -0.05 -0.84 0.01 0.00 0.03 0.00 0.00 46.19 45.35 3kdz s LEU 343 CO 0.50 -0.16 -0.13 -0.36 0.23 0.00 0.00 176.35 176.42 3kdz s PHE 344 N -2.80 1.67 0.17 0.29 0.08 -0.45 -1.42 117.98 115.53 3kdz s PHE 344 Ca 0.28 -0.69 0.08 0.00 0.12 0.00 0.00 56.93 56.72 3kdz s PHE 344 Cb -0.00 -1.22 -0.04 0.00 -0.57 0.00 0.00 43.02 41.19 3kdz s PHE 344 CO 0.12 -0.36 -0.15 -0.06 -0.10 0.00 0.00 175.22 174.67 3kdz s PHE 345 N 0.82 1.67 0.27 0.36 0.08 -1.26 -4.57 117.98 115.35 3kdz s PHE 345 Ca -0.11 -0.54 -0.30 0.00 0.12 0.00 0.00 56.93 56.10 3kdz s PHE 345 Cb -0.15 -0.81 -0.14 0.00 -0.57 0.00 0.00 43.02 41.34 3kdz s PHE 345 CO 0.02 0.30 1.24 -0.85 -0.10 0.00 0.00 175.22 175.83 3kdz n GLU 346 N 0.03 1.77 -3.69 0.44 0.28 -1.26 -2.03 120.64 116.17 3kdz n GLU 346 Ca -0.11 0.62 -0.31 0.00 -0.16 0.00 0.00 57.16 57.20 3kdz n GLU 346 Cb 0.59 -2.17 -0.06 0.00 1.43 0.00 0.00 31.44 31.23 3kdz n GLU 346 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 3kdz n GLY 347 N 1.55 -0.29 3.38 -1.84 0.00 -1.26 -4.87 105.19 101.86 3kdz n GLY 347 Ca 0.10 0.05 -0.24 0.00 0.00 0.00 0.00 46.02 45.93 3kdz n GLY 347 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kdz s LYS 348 N -5.49 1.42 0.64 1.61 -0.14 -0.86 -5.14 119.74 111.78 3kdz s LYS 348 Ca 0.60 -1.50 -0.12 0.00 -1.36 0.00 0.00 55.97 53.59 3kdz s LYS 348 Cb -0.35 -1.57 -0.02 0.00 -1.68 0.00 0.00 37.83 34.21 3kdz s LYS 348 CO 0.74 0.32 1.04 -1.21 -0.76 0.00 0.00 175.35 175.48 3kdz s GLU 349 N -2.86 3.31 -0.24 1.68 0.41 -1.26 -4.69 118.70 115.05 3kdz s GLU 349 Ca 0.20 0.92 -0.30 0.00 -0.41 0.00 0.00 54.97 55.38 3kdz s GLU 349 Cb -0.06 -2.04 -0.06 0.00 -1.78 0.00 0.00 34.13 30.18 3kdz s GLU 349 CO 0.09 -0.80 2.22 -0.89 -0.49 0.00 0.00 175.26 175.38 3kdz n ILE 350 N -2.71 0.31 -2.03 -1.63 -0.00 -1.26 -4.69 119.36 107.36 3kdz n ILE 350 Ca 0.07 -0.42 -0.43 0.00 -0.00 0.00 0.00 62.75 61.98 3kdz n ILE 350 Cb 0.54 -2.37 -0.03 0.00 -0.00 0.00 0.00 39.64 37.78 3kdz n ILE 350 CO 0.00 0.00 0.00 0.12 -0.00 0.00 0.00 176.55 176.67 3kdz s PHE 351 N 8.08 1.96 -0.32 1.39 5.36 -0.51 -4.87 117.98 129.08 3kdz s PHE 351 Ca 1.03 0.42 -0.07 0.00 -0.96 0.00 0.00 56.93 57.35 3kdz s PHE 351 Cb -0.45 -3.98 0.02 0.00 -0.34 0.00 0.00 43.02 38.28 3kdz s PHE 351 CO 0.38 -3.34 0.09 -1.01 -1.46 0.00 0.00 175.22 169.88 3kdz s HIS 352 N 5.18 3.20 0.00 10.12 3.76 -1.26 -1.14 115.29 135.15 3kdz s HIS 352 Ca 0.75 -1.21 0.00 0.00 -0.15 0.00 0.00 55.06 54.45 3kdz s HIS 352 Cb -0.28 -2.27 0.00 0.00 1.11 0.00 0.00 32.58 31.14 3kdz s HIS 352 CO 0.30 -0.66 0.00 0.41 -0.85 0.00 0.00 174.74 173.95 3kdz n GLY 353 N 4.84 5.40 2.76 -2.22 0.00 -1.26 -5.08 105.19 109.63 3kdz n GLY 353 Ca -0.13 -0.91 -0.03 0.00 0.00 0.00 0.00 46.02 44.95 3kdz n GLY 353 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kdz n ALA 354 N -3.00 2.75 1.08 4.61 0.00 -1.26 -4.90 120.51 119.79 3kdz n ALA 354 Ca 0.00 -2.49 0.06 0.00 0.00 0.00 0.00 53.44 51.01 3kdz n ALA 354 Cb 0.00 -0.89 0.37 0.00 0.00 0.00 0.00 19.45 18.93 3kdz n ALA 354 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3kdz n ASN 355 N -0.60 0.00 0.06 0.00 5.03 -1.26 -1.31 115.26 117.17 3kdz n ASN 355 Ca 0.03 -0.68 0.12 0.00 0.87 0.00 0.00 54.58 54.92 3kdz n ASN 355 Cb 0.82 0.00 0.18 0.00 -1.02 0.00 0.00 39.78 39.76 3kdz n ASN 355 CO 0.00 0.00 0.00 2.22 -1.83 0.00 0.00 177.26 177.65 3kdz n PHE 356 N -0.86 0.52 -2.24 3.10 1.16 -1.26 -3.77 117.46 114.11 3kdz n PHE 356 Ca 0.09 0.15 -0.43 0.00 -1.87 0.00 0.00 57.45 55.40 3kdz n PHE 356 Cb 0.04 -0.63 -0.02 0.00 -1.61 0.00 0.00 39.48 37.26 3kdz n PHE 356 CO 0.00 0.00 0.00 -1.58 -1.87 0.00 0.00 176.76 173.31 3kdz s HIS 357 N -3.15 2.43 -0.50 2.97 2.46 -0.43 -4.31 115.29 114.76 3kdz s HIS 357 Ca 0.07 0.65 0.04 0.00 0.47 0.00 0.00 55.06 56.29 3kdz s HIS 357 Cb 0.14 -3.74 0.32 0.00 -0.13 0.00 0.00 32.58 29.17 3kdz s HIS 357 CO 0.72 -2.61 1.16 0.41 -2.47 0.00 0.00 174.74 171.95 3kdz n GLY 358 N 3.99 2.48 0.24 1.59 0.00 -0.46 -4.55 105.19 108.48 3kdz n GLY 358 Ca 0.16 -0.42 0.01 0.00 0.00 0.00 0.00 46.02 45.77 3kdz n GLY 358 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 3kdz h GLN 359 N 1.22 0.32 -0.88 1.61 5.75 -1.92 0.41 115.11 121.62 3kdz h GLN 359 Ca 0.10 -0.02 0.14 0.00 -0.15 0.00 0.00 58.65 58.73 3kdz h GLN 359 Cb 1.38 -0.07 -0.09 0.00 1.07 0.00 0.00 27.48 29.76 3kdz h GLN 359 CO 0.31 0.21 0.47 -1.00 -2.65 0.00 0.00 178.83 176.17 3kdz h PRO 360 N 0.33 0.66 0.02 -2.39 0.13 -1.99 0.79 132.00 129.56 3kdz h PRO 360 Ca 0.33 -0.04 -0.26 0.00 -0.87 0.00 0.00 66.00 65.15 3kdz h PRO 360 Cb 0.46 -0.15 -0.03 0.00 0.13 0.00 0.00 31.00 31.41 3kdz h PRO 360 CO -0.37 0.44 -1.40 0.82 -0.23 0.00 0.00 178.00 177.25 3kdz h ILE 361 N 0.68 1.24 -0.44 -3.56 1.08 -1.74 -2.70 117.51 112.07 3kdz h ILE 361 Ca 0.47 -3.00 0.01 0.00 -0.39 0.00 0.00 64.86 61.95 3kdz h ILE 361 Cb 0.64 2.65 -0.02 0.00 -3.07 0.00 0.00 36.82 37.02 3kdz h ILE 361 CO -0.35 0.74 0.28 0.00 -0.69 0.00 0.00 178.15 178.14 3kdz h ALA 362 N 0.90 0.55 0.19 1.87 0.00 0.47 -1.02 119.26 122.23 3kdz h ALA 362 Ca -0.17 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 3kdz h ALA 362 Cb 1.92 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 19.54 3kdz h ALA 362 CO 0.11 -0.01 -0.09 0.74 0.00 0.00 0.00 179.25 180.00 3kdz h PHE 363 N 0.58 -0.24 -0.80 0.00 0.04 -0.94 -2.12 116.94 113.46 3kdz h PHE 363 Ca 0.16 -0.01 0.17 0.00 2.80 0.00 0.00 57.97 61.09 3kdz h PHE 363 Cb -0.05 0.08 -0.11 0.00 2.20 0.00 0.00 35.95 38.07 3kdz h PHE 363 CO -0.05 -0.01 0.31 0.00 -0.60 0.00 0.00 178.31 177.96 3kdz h ALA 364 N 0.33 1.16 -0.08 2.45 0.00 -1.28 -0.30 119.26 121.54 3kdz h ALA 364 Ca -0.03 0.13 -0.20 0.00 0.00 0.00 0.00 54.91 54.82 3kdz h ALA 364 Cb 0.34 0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.25 3kdz h ALA 364 CO 0.04 -0.25 -0.78 0.52 0.00 0.00 0.00 179.25 178.78 3kdz h MET 365 N 0.42 0.49 -0.53 0.00 2.86 -1.13 -1.87 114.93 115.16 3kdz h MET 365 Ca 0.46 -0.42 -0.01 0.00 -2.06 0.00 0.00 59.70 57.66 3kdz h MET 365 Cb 0.75 0.09 -0.03 0.00 0.06 0.00 0.00 31.60 32.48 3kdz h MET 365 CO -0.45 1.06 0.28 -0.44 1.06 0.00 0.00 176.91 178.42 3kdz h ASP 366 N 0.32 0.65 0.21 1.22 3.32 -0.60 -0.33 116.42 121.22 3kdz h ASP 366 Ca -0.05 -0.05 -0.13 0.00 0.02 0.00 0.00 57.03 56.83 3kdz h ASP 366 Cb 1.38 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 40.75 3kdz h ASP 366 CO 0.14 0.53 -0.50 -0.26 -1.72 0.00 0.00 179.24 177.44 3kdz h PHE 367 N 0.74 0.40 -0.52 4.55 0.04 -0.85 -2.63 116.94 118.67 3kdz h PHE 367 Ca 0.19 -0.13 -0.07 0.00 2.80 0.00 0.00 57.97 60.76 3kdz h PHE 367 Cb 0.03 -0.08 -0.02 0.00 2.20 0.00 0.00 35.95 38.08 3kdz h PHE 367 CO 0.00 0.76 0.04 0.28 -0.60 0.00 0.00 178.31 178.80 3kdz h VAL 368 N 0.26 1.26 -0.44 -0.55 2.07 -0.46 -1.00 116.25 117.38 3kdz h VAL 368 Ca 0.01 -1.02 0.06 0.00 0.82 0.00 0.00 66.70 66.57 3kdz h VAL 368 Cb 0.97 0.90 -0.05 0.00 -1.52 0.00 0.00 31.29 31.59 3kdz h VAL 368 CO 0.08 0.36 0.14 0.74 0.02 0.00 0.00 177.57 178.91 3kdz h THR 369 N 0.76 0.83 -0.07 2.57 2.02 -0.86 0.07 112.91 118.24 3kdz h THR 369 Ca 0.15 -0.10 -0.00 0.00 0.77 0.00 0.00 66.41 67.23 3kdz h THR 369 Cb 0.46 0.51 -0.00 0.00 -1.74 0.00 0.00 68.15 67.38 3kdz h THR 369 CO 0.02 0.05 0.03 0.40 0.37 0.00 0.00 175.52 176.39 3kdz h ILE 370 N 0.29 1.14 -0.30 3.11 2.04 -1.24 -1.83 117.51 120.72 3kdz h ILE 370 Ca 0.21 -0.43 0.01 0.00 1.00 0.00 0.00 64.86 65.65 3kdz h ILE 370 Cb 0.22 1.31 -0.02 0.00 -0.74 0.00 0.00 36.82 37.59 3kdz h ILE 370 CO -0.23 0.12 0.18 0.00 0.00 0.00 0.00 178.15 178.22 3kdz h ALA 371 N 0.86 0.38 0.00 1.87 0.00 -0.84 -2.20 119.26 119.33 3kdz h ALA 371 Ca 0.02 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 3kdz h ALA 371 Cb 0.17 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 3kdz h ALA 371 CO -0.00 -0.18 -0.21 -0.07 0.00 0.00 0.00 179.25 178.79 3kdz h LEU 372 N 0.37 0.00 -0.38 0.00 3.38 -0.98 -1.72 115.31 115.99 3kdz h LEU 372 Ca 0.12 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.01 3kdz h LEU 372 Cb -0.01 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 3kdz h LEU 372 CO -0.05 0.21 -0.07 0.74 0.09 0.00 0.00 178.44 179.36 3kdz h THR 373 N 0.00 1.27 -0.27 0.22 2.02 -0.72 -1.78 112.91 113.65 3kdz h THR 373 Ca -0.00 -1.13 -0.11 0.00 0.77 0.00 0.00 66.41 65.94 3kdz h THR 373 Cb 0.59 1.24 -0.01 0.00 -1.74 0.00 0.00 68.15 68.22 3kdz h THR 373 CO 0.03 0.37 -0.30 -0.61 0.37 0.00 0.00 175.52 175.38 3kdz h GLN 374 N 0.51 0.55 -0.86 6.66 5.75 -1.09 -0.32 115.11 126.31 3kdz h GLN 374 Ca 0.10 -0.23 0.07 0.00 -0.15 0.00 0.00 58.65 58.43 3kdz h GLN 374 Cb 0.57 -0.02 -0.06 0.00 1.07 0.00 0.00 27.48 29.04 3kdz h GLN 374 CO 0.03 0.79 0.53 1.25 -2.65 0.00 0.00 178.83 178.78 3kdz h LEU 375 N 0.48 0.83 -0.49 -2.39 5.85 -1.05 -0.71 115.31 117.83 3kdz h LEU 375 Ca 0.06 0.02 -0.14 0.00 0.84 0.00 0.00 57.88 58.66 3kdz h LEU 375 Cb 0.76 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.63 3kdz h LEU 375 CO 0.06 0.52 -0.32 1.23 -0.34 0.00 0.00 178.44 179.60 3kdz h GLY 376 N 0.96 0.98 0.72 3.75 0.00 -0.70 -2.34 103.07 106.44 3kdz h GLY 376 Ca 0.38 -0.94 0.05 0.00 0.00 0.00 0.00 47.33 46.83 3kdz h GLY 376 CO -0.18 0.85 0.38 -2.08 0.00 0.00 0.00 176.54 175.51 3kdz h VAL 377 N 0.76 1.00 -0.49 4.60 2.07 0.01 -1.04 116.25 123.16 3kdz h VAL 377 Ca 0.08 -0.24 -0.08 0.00 0.82 0.00 0.00 66.70 67.27 3kdz h VAL 377 Cb 0.89 0.22 -0.02 0.00 -1.52 0.00 0.00 31.29 30.86 3kdz h VAL 377 CO 0.08 0.13 -0.01 0.25 0.02 0.00 0.00 177.57 178.04 3kdz h LEU 378 N 0.71 0.85 -0.62 2.57 5.85 -1.05 -2.33 115.31 121.29 3kdz h LEU 378 Ca 0.29 -0.31 -0.06 0.00 0.84 0.00 0.00 57.88 58.64 3kdz h LEU 378 Cb 0.15 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 40.92 3kdz h LEU 378 CO -0.16 0.96 0.14 0.00 -0.34 0.00 0.00 178.44 179.04 3kdz h ALA 379 N 0.92 0.82 -0.69 1.25 0.00 -1.00 -1.71 119.26 118.85 3kdz h ALA 379 Ca 0.14 -0.24 -0.07 0.00 0.00 0.00 0.00 54.91 54.73 3kdz h ALA 379 Cb 0.53 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 3kdz h ALA 379 CO 0.03 0.54 0.14 1.49 0.00 0.00 0.00 179.25 181.45 3kdz h GLU 380 N 0.92 1.12 0.00 0.00 4.22 -1.14 -1.59 114.58 118.11 3kdz h GLU 380 Ca 0.19 -0.28 -0.08 0.00 0.08 0.00 0.00 59.36 59.27 3kdz h GLU 380 Cb 0.37 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 3kdz h GLU 380 CO 0.00 1.00 -0.40 0.00 -2.18 0.00 0.00 179.01 177.44 3kdz h ARG 381 N 1.06 0.00 -0.13 1.92 2.47 -1.20 -1.07 114.38 117.43 3kdz h ARG 381 Ca 0.21 0.00 -0.14 0.00 -1.26 0.00 0.00 59.98 58.79 3kdz h ARG 381 Cb 0.40 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.71 3kdz h ARG 381 CO 0.01 0.40 -0.52 1.96 0.56 0.00 0.00 179.97 182.37 3kdz h GLN 382 N 0.00 0.38 -0.35 0.04 4.20 -0.81 -0.60 115.11 117.96 3kdz h GLN 382 Ca -0.00 -0.23 -0.04 0.00 0.06 0.00 0.00 58.65 58.44 3kdz h GLN 382 Cb 0.78 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.57 3kdz h GLN 382 CO 0.05 0.81 0.05 0.82 -0.67 0.00 0.00 178.83 179.89 3kdz h ILE 383 N 0.30 1.24 -0.27 2.54 2.04 -0.67 -2.06 117.51 120.62 3kdz h ILE 383 Ca 0.01 -0.86 0.01 0.00 1.00 0.00 0.00 64.86 65.02 3kdz h ILE 383 Cb 1.02 1.11 -0.01 0.00 -0.74 0.00 0.00 36.82 38.20 3kdz h ILE 383 CO 0.09 0.29 0.18 -1.13 0.00 0.00 0.00 178.15 177.58 3kdz h ASN 384 N 0.43 0.29 0.42 1.72 -1.24 -0.93 -1.78 115.58 114.50 3kdz h ASN 384 Ca 0.11 -0.01 -0.02 0.00 0.71 0.00 0.00 56.30 57.09 3kdz h ASN 384 Cb 0.37 -0.07 0.00 0.00 0.73 0.00 0.00 38.32 39.35 3kdz h ASN 384 CO 0.01 0.21 -0.20 -0.09 -1.29 0.00 0.00 177.43 176.07 3kdz h ARG 385 N 0.35 -0.55 0.00 6.67 9.65 -0.45 -2.54 114.38 127.51 3kdz h ARG 385 Ca 0.10 0.04 -0.09 0.00 -1.10 0.00 0.00 59.98 58.92 3kdz h ARG 385 Cb -0.01 0.12 -0.01 0.00 -1.39 0.00 0.00 29.97 28.68 3kdz h ARG 385 CO -0.02 -0.36 -0.45 -0.24 2.80 0.00 0.00 179.97 181.70 3kdz h VAL 386 N -0.58 1.09 0.00 0.20 3.04 -0.97 -2.85 116.25 116.18 3kdz h VAL 386 Ca -0.06 -1.68 -0.08 0.00 -1.01 0.00 0.00 66.70 63.86 3kdz h VAL 386 Cb 0.45 1.97 -0.01 0.00 -2.01 0.00 0.00 31.29 31.68 3kdz h VAL 386 CO 0.10 0.44 -0.72 -0.07 -1.01 0.00 0.00 177.57 176.31 3kdz h LEU 387 N 0.00 0.00 -8.98 3.16 3.38 -1.32 -3.44 115.31 108.11 3kdz h LEU 387 Ca -0.00 0.00 -0.61 0.00 0.09 0.00 0.00 57.88 57.36 3kdz h LEU 387 Cb 0.94 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 41.58 3kdz h LEU 387 CO 0.06 0.35 0.23 0.21 0.09 0.00 0.00 178.44 179.38 3kdz s ASN 388 N -6.06 6.62 0.38 -0.43 3.84 -0.96 -0.52 114.94 117.81 3kdz s ASN 388 Ca 0.02 0.73 0.10 0.00 0.21 0.00 0.00 52.86 53.93 3kdz s ASN 388 Cb 0.08 -2.36 0.87 0.00 -0.55 0.00 0.00 41.25 39.29 3kdz s ASN 388 CO 0.76 -0.42 1.91 0.08 -2.79 0.00 0.00 177.10 176.63 3kdz h ARG 389 N 7.90 0.60 0.00 0.43 0.11 -1.86 0.25 114.38 121.81 3kdz h ARG 389 Ca -0.26 -0.04 0.00 0.00 0.10 0.00 0.00 59.98 59.78 3kdz h ARG 389 Cb 1.12 -0.14 0.00 0.00 1.11 0.00 0.00 29.97 32.06 3kdz h ARG 389 CO 0.80 0.40 0.00 0.45 0.10 0.00 0.00 179.97 181.72 3kdz h HIS 390 N 0.62 0.00 0.00 4.08 3.86 -1.93 -3.30 115.15 118.49 3kdz h HIS 390 Ca 0.39 0.00 -0.11 0.00 -1.16 0.00 0.00 60.37 59.49 3kdz h HIS 390 Cb 0.65 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.10 3kdz h HIS 390 CO -0.00 0.00 -1.72 1.28 0.86 0.00 0.00 177.93 178.35 3kdz n LEU 391 N -2.53 0.00 0.06 2.43 4.77 -0.17 -4.62 117.00 116.94 3kdz n LEU 391 Ca 0.03 0.00 0.07 0.00 -0.03 0.00 0.00 56.01 56.09 3kdz n LEU 391 Cb 0.34 0.15 0.34 0.00 -2.33 0.00 0.00 43.42 41.92 3kdz n LEU 391 CO 0.26 0.15 0.73 -1.54 -1.33 0.00 0.00 177.39 175.67 3kdz n SER 392 N -2.21 0.27 -0.10 -1.43 3.41 0.70 -4.85 113.62 109.42 3kdz n SER 392 Ca -0.11 0.59 -0.01 0.00 -0.26 0.00 0.00 58.87 59.07 3kdz n SER 392 Cb 0.62 -0.64 -0.01 0.00 -0.26 0.00 0.00 64.21 63.93 3kdz n SER 392 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 3kdz n TYR 393 N -1.83 0.00 0.00 7.33 4.02 -1.26 -4.13 117.16 121.29 3kdz n TYR 393 Ca 0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.91 3kdz n TYR 393 Cb 0.13 -0.59 0.00 0.00 -0.02 0.00 0.00 39.34 38.86 3kdz n TYR 393 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3kdz n GLY 394 N -2.38 2.70 3.61 2.72 0.00 -1.26 -5.14 105.19 105.44 3kdz n GLY 394 Ca -0.01 -0.33 -0.32 0.00 0.00 0.00 0.00 46.02 45.35 3kdz n GLY 394 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3kdz n LEU 395 N 0.00 2.75 -4.81 0.99 4.77 -1.26 -4.98 117.00 114.46 3kdz n LEU 395 Ca 0.00 0.46 -0.33 0.00 -0.03 0.00 0.00 56.01 56.11 3kdz n LEU 395 Cb 0.00 -1.42 -0.01 0.00 -2.33 0.00 0.00 43.42 39.66 3kdz n LEU 395 CO 0.00 -2.40 0.71 -2.16 -1.33 0.00 0.00 177.39 172.21 3kdz s PRO 396 N -4.18 3.58 0.14 3.23 0.04 -1.26 -4.72 135.00 131.83 3kdz s PRO 396 Ca 0.67 1.19 -0.35 0.00 0.04 0.00 0.00 61.00 62.54 3kdz s PRO 396 Cb -0.25 -2.07 -0.15 0.00 0.04 0.00 0.00 34.50 32.07 3kdz s PRO 396 CO 0.58 -0.59 1.48 -0.85 0.04 0.00 0.00 177.00 177.66 3kdz n GLU 397 N -1.66 1.78 -1.87 4.56 0.00 -1.26 -1.51 120.64 120.69 3kdz n GLU 397 Ca 0.08 0.64 -0.13 0.00 0.00 0.00 0.00 57.16 57.75 3kdz n GLU 397 Cb 0.53 -2.36 -0.03 0.00 0.00 0.00 0.00 31.44 29.58 3kdz n GLU 397 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.13 178.32 3kdz n PHE 398 N 3.02 -0.82 -3.77 -1.84 3.01 0.33 -2.35 117.46 115.03 3kdz n PHE 398 Ca 0.17 0.00 -0.27 0.00 1.01 0.00 0.00 57.45 58.36 3kdz n PHE 398 Cb 0.25 -2.74 0.05 0.00 -0.01 0.00 0.00 39.48 37.04 3kdz n PHE 398 CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05 3kdz n LEU 399 N -2.32 -2.94 -4.76 4.37 4.77 -0.57 -1.14 117.00 114.42 3kdz n LEU 399 Ca -0.15 -0.70 -0.40 0.00 -0.03 0.00 0.00 56.01 54.73 3kdz n LEU 399 Cb 0.52 -2.75 -0.04 0.00 -2.33 0.00 0.00 43.42 38.82 3kdz n LEU 399 CO 0.19 0.53 0.81 0.68 -1.33 0.00 0.00 177.39 178.27 3kdz s VAL 400 N -3.34 3.50 -0.23 4.08 -7.23 -0.99 -4.69 120.40 111.49 3kdz s VAL 400 Ca 0.56 1.46 0.08 0.00 -1.81 0.00 0.00 61.98 62.28 3kdz s VAL 400 Cb -0.27 -3.93 -0.20 0.00 0.56 0.00 0.00 36.38 32.54 3kdz s VAL 400 CO 0.79 0.33 -0.11 -1.20 -0.31 0.00 0.00 175.10 174.60 3kdz n SER 401 N 1.41 1.23 -4.83 4.85 7.64 -1.26 -4.85 113.62 117.81 3kdz n SER 401 Ca -0.00 -0.08 -0.30 0.00 1.01 0.00 0.00 58.87 59.50 3kdz n SER 401 Cb 0.45 0.14 0.09 0.00 -1.01 0.00 0.00 64.21 63.88 3kdz n SER 401 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 3kdz s GLY 402 N -6.10 1.61 0.23 0.23 0.00 -1.26 -4.95 107.32 97.09 3kdz s GLY 402 Ca -0.25 -0.34 -0.31 0.00 0.00 0.00 0.00 44.72 43.82 3kdz s GLY 402 CO 0.68 0.10 1.36 1.22 0.00 0.00 0.00 173.10 176.46 3kdz n ASP 403 N -3.37 2.48 -4.90 1.64 8.00 -1.26 -4.80 116.55 114.33 3kdz n ASP 403 Ca 0.07 1.14 -0.28 0.00 0.71 0.00 0.00 54.79 56.43 3kdz n ASP 403 Cb 0.57 -1.39 0.03 0.00 -0.02 0.00 0.00 41.12 40.32 3kdz n ASP 403 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 3kdz s PRO 404 N -0.42 3.00 0.00 -0.24 0.04 -1.26 -1.87 135.00 134.26 3kdz s PRO 404 Ca 0.69 0.22 0.00 0.00 0.04 0.00 0.00 61.00 61.95 3kdz s PRO 404 Cb -0.69 -2.19 0.00 0.00 0.04 0.00 0.00 34.50 31.67 3kdz s PRO 404 CO 0.50 -0.75 0.00 0.41 0.04 0.00 0.00 177.00 177.20 3kdz n GLY 405 N -2.70 1.61 0.24 0.56 0.00 -1.26 -4.33 105.19 99.31 3kdz n GLY 405 Ca 0.05 -0.07 -0.01 0.00 0.00 0.00 0.00 46.02 45.99 3kdz n GLY 405 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3kdz h LEU 406 N 0.00 0.40 -8.67 0.99 5.85 -1.93 -3.41 115.31 108.54 3kdz h LEU 406 Ca 0.00 -0.12 -0.70 0.00 0.84 0.00 0.00 57.88 57.90 3kdz h LEU 406 Cb 0.00 -0.11 -0.28 0.00 0.37 0.00 0.00 40.66 40.64 3kdz h LEU 406 CO 0.00 0.62 -0.88 -1.00 -0.34 0.00 0.00 178.44 176.84 3kdz s HIS 407 N -4.59 2.34 -0.45 1.25 3.76 -0.78 -5.04 115.29 111.78 3kdz s HIS 407 Ca -0.06 -0.42 0.22 0.00 -0.15 0.00 0.00 55.06 54.65 3kdz s HIS 407 Cb 0.14 -1.46 -0.12 0.00 1.11 0.00 0.00 32.58 32.25 3kdz s HIS 407 CO 0.77 0.03 0.84 0.43 -0.85 0.00 0.00 174.74 175.97 3kdz n SER 408 N 2.18 0.51 0.00 1.40 7.64 -1.26 -4.58 113.62 119.50 3kdz n SER 408 Ca -0.16 -0.21 0.00 0.00 1.01 0.00 0.00 58.87 59.51 3kdz n SER 408 Cb 0.51 1.16 0.00 0.00 -1.01 0.00 0.00 64.21 64.87 3kdz n SER 408 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3kdz n GLY 409 N 1.34 2.76 0.68 0.23 0.00 -1.26 -2.34 105.19 106.59 3kdz n GLY 409 Ca 0.00 -0.25 0.11 0.00 0.00 0.00 0.00 46.02 45.88 3kdz n GLY 409 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3kdz n PHE 410 N 13.20 0.26 -0.17 1.61 3.01 -0.29 -4.51 117.46 130.56 3kdz n PHE 410 Ca 0.00 -0.13 -0.08 0.00 1.01 0.00 0.00 57.45 58.26 3kdz n PHE 410 Cb 0.00 0.00 -0.02 0.00 -0.01 0.00 0.00 39.48 39.45 3kdz n PHE 410 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3kdz h ALA 411 N 4.16 -0.25 0.00 4.37 0.00 -1.64 -0.88 119.26 125.02 3kdz h ALA 411 Ca 0.00 0.11 -0.06 0.00 0.00 0.00 0.00 54.91 54.97 3kdz h ALA 411 Cb 0.59 0.85 -0.01 0.00 0.00 0.00 0.00 17.79 19.23 3kdz h ALA 411 CO 0.00 -0.78 -0.27 0.78 0.00 0.00 0.00 179.25 178.98 3kdz h GLY 412 N -0.24 0.00 2.00 0.00 0.00 -1.83 -2.93 103.07 100.07 3kdz h GLY 412 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.51 3kdz h GLY 412 CO -0.63 0.00 0.00 0.00 0.00 0.00 0.00 176.54 175.91 3kdz h ALA 413 N 1.73 1.00 0.00 3.60 0.00 -1.47 -3.02 119.26 121.10 3kdz h ALA 413 Ca -0.00 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 3kdz h ALA 413 Cb 0.64 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 3kdz h ALA 413 CO 0.04 0.00 -0.36 0.37 0.00 0.00 0.00 179.25 179.29 3kdz h GLN 414 N 0.00 0.00 -0.15 0.00 4.15 -1.23 -3.32 115.11 114.56 3kdz h GLN 414 Ca 0.00 0.00 0.02 0.00 0.77 0.00 0.00 58.65 59.44 3kdz h GLN 414 Cb 0.62 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.29 3kdz h GLN 414 CO 0.00 0.36 0.04 1.88 -1.93 0.00 0.00 178.83 179.18 3kdz h TYR 415 N 0.00 0.07 0.00 3.99 0.05 -1.68 -1.79 116.97 117.60 3kdz h TYR 415 Ca -0.00 0.01 -0.03 0.00 0.05 0.00 0.00 58.73 58.75 3kdz h TYR 415 Cb 0.87 -0.01 -0.00 0.00 1.01 0.00 0.00 36.73 38.60 3kdz h TYR 415 CO 0.00 0.03 -0.14 -1.00 -1.05 0.00 0.00 178.16 176.00 3kdz h PRO 416 N 0.10 0.00 0.26 4.88 0.13 -1.77 0.26 132.00 135.86 3kdz h PRO 416 Ca 0.06 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.18 3kdz h PRO 416 Cb 0.05 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.18 3kdz h PRO 416 CO -0.08 0.14 -0.12 0.00 -0.23 0.00 0.00 178.00 177.71 3kdz h ALA 417 N 1.86 -0.34 -0.72 -0.56 0.00 -1.62 -0.87 119.26 117.01 3kdz h ALA 417 Ca -0.00 -0.19 0.06 0.00 0.00 0.00 0.00 54.91 54.78 3kdz h ALA 417 Cb 0.29 0.13 -0.06 0.00 0.00 0.00 0.00 17.79 18.16 3kdz h ALA 417 CO 0.02 -0.50 0.41 1.15 0.00 0.00 0.00 179.25 180.34 3kdz h THR 418 N -0.74 0.98 -0.70 0.00 2.02 -1.01 -2.09 112.91 111.37 3kdz h THR 418 Ca -0.04 -0.26 -0.04 0.00 0.77 0.00 0.00 66.41 66.84 3kdz h THR 418 Cb 0.49 0.16 -0.03 0.00 -1.74 0.00 0.00 68.15 67.03 3kdz h THR 418 CO 0.06 0.14 0.26 0.00 0.37 0.00 0.00 175.52 176.35 3kdz h ALA 419 N 1.36 1.15 -0.24 6.16 0.00 -0.43 -2.71 119.26 124.55 3kdz h ALA 419 Ca 0.32 -0.19 -0.08 0.00 0.00 0.00 0.00 54.91 54.96 3kdz h ALA 419 Cb 0.19 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 3kdz h ALA 419 CO -0.18 0.61 -0.19 -0.07 0.00 0.00 0.00 179.25 179.42 3kdz h LEU 420 N 1.02 0.42 -0.60 0.00 3.38 -0.48 -1.18 115.31 117.88 3kdz h LEU 420 Ca 0.23 -0.12 -0.00 0.00 0.09 0.00 0.00 57.88 58.08 3kdz h LEU 420 Cb 0.22 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.83 3kdz h LEU 420 CO -0.02 0.63 0.36 0.58 0.09 0.00 0.00 178.44 180.08 3kdz h VAL 421 N 0.39 1.18 -0.70 1.22 2.07 -1.14 0.50 116.25 119.76 3kdz h VAL 421 Ca 0.07 -0.39 -0.07 0.00 0.82 0.00 0.00 66.70 67.13 3kdz h VAL 421 Cb 0.55 0.36 -0.03 0.00 -1.52 0.00 0.00 31.29 30.66 3kdz h VAL 421 CO 0.04 0.18 0.17 0.00 0.02 0.00 0.00 177.57 177.97 3kdz h ALA 422 N 1.18 0.93 -0.48 1.67 0.00 -1.30 -2.42 119.26 118.82 3kdz h ALA 422 Ca 0.21 -0.25 -0.12 0.00 0.00 0.00 0.00 54.91 54.75 3kdz h ALA 422 Cb -0.02 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 3kdz h ALA 422 CO -0.04 0.65 -0.17 1.49 0.00 0.00 0.00 179.25 181.18 3kdz h GLU 423 N 1.06 0.95 -0.32 0.00 4.81 -0.62 -2.81 114.58 117.66 3kdz h GLU 423 Ca 0.22 -0.38 -0.05 0.00 -0.13 0.00 0.00 59.36 59.02 3kdz h GLU 423 Cb 0.38 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.69 3kdz h GLU 423 CO 0.00 1.04 -0.01 -0.91 -0.73 0.00 0.00 179.01 178.40 3kdz h ASN 424 N 0.83 0.46 0.58 1.04 2.35 -0.79 -2.00 115.58 118.05 3kdz h ASN 424 Ca 0.12 -0.08 0.00 0.00 -0.55 0.00 0.00 56.30 55.78 3kdz h ASN 424 Cb 0.73 -0.12 0.00 0.00 0.05 0.00 0.00 38.32 38.98 3kdz h ASN 424 CO 0.06 0.53 0.00 0.54 -1.65 0.00 0.00 177.43 176.91 3kdz n ARG 425 N -4.28 0.06 0.00 0.81 1.74 -0.92 -1.97 116.66 112.09 3kdz n ARG 425 Ca 0.01 0.30 0.13 0.00 -0.77 0.00 0.00 57.85 57.52 3kdz n ARG 425 Cb 0.24 -1.61 0.44 0.00 -1.02 0.00 0.00 32.46 30.51 3kdz n ARG 425 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 3kdz n THR 426 N -1.73 0.00 -2.85 0.55 -2.24 -0.75 -4.75 114.28 102.51 3kdz n THR 426 Ca 0.03 -0.06 -0.43 0.00 -2.27 0.00 0.00 64.05 61.33 3kdz n THR 426 Cb 0.19 0.10 -0.04 0.00 -2.10 0.00 0.00 70.33 68.48 3kdz n THR 426 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 3kdz s ILE 427 N -2.70 4.37 0.49 2.28 1.01 -0.83 -5.04 121.20 120.78 3kdz s ILE 427 Ca 0.21 0.09 -0.02 0.00 0.00 0.00 0.00 60.65 60.92 3kdz s ILE 427 Cb 0.19 -4.58 -0.01 0.00 0.01 0.00 0.00 42.46 38.07 3kdz s ILE 427 CO 0.56 -1.22 0.74 -0.83 0.00 0.00 0.00 174.94 174.19 3kdz s GLY 428 N 3.08 1.55 0.48 6.18 0.00 -1.26 -4.99 107.32 112.36 3kdz s GLY 428 Ca 0.28 -0.87 -0.24 0.00 0.00 0.00 0.00 44.72 43.88 3kdz s GLY 428 CO 0.16 -0.68 1.43 -4.14 0.00 0.00 0.00 173.10 169.87 3kdz s PRO 429 N -4.68 3.53 -0.06 2.90 0.02 -1.26 -4.95 135.00 130.50 3kdz s PRO 429 Ca 0.49 2.41 0.10 0.00 0.02 0.00 0.00 61.00 64.02 3kdz s PRO 429 Cb -0.10 -2.56 -0.15 0.00 0.02 0.00 0.00 34.50 31.71 3kdz s PRO 429 CO 0.41 -0.94 0.14 0.00 -0.33 0.00 0.00 177.00 176.28 3kdz n ALA 430 N -0.42 2.08 0.01 -1.55 0.00 -1.26 -4.62 120.51 114.75 3kdz n ALA 430 Ca 0.06 -0.49 0.01 0.00 0.00 0.00 0.00 53.44 53.02 3kdz n ALA 430 Cb 0.42 -0.18 0.04 0.00 0.00 0.00 0.00 19.45 19.73 3kdz n ALA 430 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3kdz n SER 431 N -2.15 0.04 -0.41 0.00 3.41 -1.25 -0.59 113.62 112.67 3kdz n SER 431 Ca -0.10 0.49 0.04 0.00 -0.26 0.00 0.00 58.87 59.05 3kdz n SER 431 Cb 0.57 -0.49 0.07 0.00 -0.26 0.00 0.00 64.21 64.10 3kdz n SER 431 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3kdz n THR 432 N -1.53 0.43 -0.65 6.66 -2.24 -1.26 -4.66 114.28 111.04 3kdz n THR 432 Ca -0.00 -0.72 -0.14 0.00 -2.27 0.00 0.00 64.05 60.93 3kdz n THR 432 Cb 0.03 0.89 0.17 0.00 -2.10 0.00 0.00 70.33 69.32 3kdz n THR 432 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3kdz n GLN 433 N 0.40 2.35 -1.61 -0.78 1.13 0.24 -5.00 117.38 114.11 3kdz n GLN 433 Ca 0.07 -2.31 -0.42 0.00 -1.94 0.00 0.00 57.00 52.39 3kdz n GLN 433 Cb 0.29 -1.93 0.01 0.00 0.11 0.00 0.00 30.24 28.71 3kdz n GLN 433 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 3kdz n SER 434 N -0.52 1.28 -3.90 1.08 2.88 -1.26 -5.00 113.62 108.18 3kdz n SER 434 Ca 0.41 1.07 -0.20 0.00 -1.33 0.00 0.00 58.87 58.82 3kdz n SER 434 Cb 1.32 -1.34 -0.16 0.00 -0.75 0.00 0.00 64.21 63.27 3kdz n SER 434 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 3kdz s VAL 435 N -1.23 0.53 0.31 2.46 1.01 -1.26 -4.96 120.40 117.25 3kdz s VAL 435 Ca 0.62 -0.13 -0.29 0.00 0.00 0.00 0.00 61.98 62.18 3kdz s VAL 435 Cb -0.58 -0.55 -0.10 0.00 0.00 0.00 0.00 36.38 35.15 3kdz s VAL 435 CO 0.58 0.22 1.16 -2.16 0.00 0.00 0.00 175.10 174.89 3kdz s PRO 436 N 0.83 4.51 0.15 2.72 0.04 -1.26 -4.76 135.00 137.23 3kdz s PRO 436 Ca -0.11 1.90 -0.02 0.00 0.04 0.00 0.00 61.00 62.81 3kdz s PRO 436 Cb -0.14 -3.10 0.01 0.00 0.04 0.00 0.00 34.50 31.31 3kdz s PRO 436 CO 0.00 0.06 0.24 -1.13 0.04 0.00 0.00 177.00 176.21 3kdz n SER 437 N 0.96 -0.67 -3.54 6.66 3.41 -1.11 -4.87 113.62 114.46 3kdz n SER 437 Ca -0.00 -1.73 -0.20 0.00 -0.26 0.00 0.00 58.87 56.68 3kdz n SER 437 Cb 0.44 1.19 0.07 0.00 -0.26 0.00 0.00 64.21 65.65 3kdz n SER 437 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 3kdz n ASN 438 N -1.70 -2.64 -3.68 4.04 4.05 -1.26 -2.13 115.26 111.94 3kdz n ASN 438 Ca -0.01 -0.66 -0.24 0.00 0.45 0.00 0.00 54.58 54.12 3kdz n ASN 438 Cb 0.24 -4.81 0.06 0.00 1.23 0.00 0.00 39.78 36.50 3kdz n ASN 438 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 3kdz n GLY 439 N -1.39 -0.45 2.92 8.20 0.00 -1.26 -1.26 105.19 111.95 3kdz n GLY 439 Ca -0.23 0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.97 3kdz n GLY 439 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3kdz n ASP 440 N -2.99 -4.87 0.00 1.61 8.00 -0.90 -4.84 116.55 112.55 3kdz n ASP 440 Ca -0.10 0.00 -0.13 0.00 0.71 0.00 0.00 54.79 55.27 3kdz n ASP 440 Cb 0.59 -2.85 -0.09 0.00 -0.02 0.00 0.00 41.12 38.75 3kdz n ASP 440 CO 0.00 0.00 0.00 -1.13 -0.39 0.00 0.00 177.20 175.68 3kdz h ASN 441 N 0.00 -0.02 -1.75 -2.24 -1.24 -0.96 -3.12 115.58 106.24 3kdz h ASN 441 Ca 0.00 -0.41 -0.77 0.00 0.71 0.00 0.00 56.30 55.83 3kdz h ASN 441 Cb 0.73 0.01 -0.19 0.00 0.73 0.00 0.00 38.32 39.60 3kdz h ASN 441 CO 0.00 0.40 1.75 0.00 -1.29 0.00 0.00 177.43 178.29 3kdz n GLN 442 N -4.90 4.30 0.00 6.67 6.02 -1.00 -4.74 117.38 123.74 3kdz n GLN 442 Ca -0.08 -3.87 0.13 0.00 -0.01 0.00 0.00 57.00 53.17 3kdz n GLN 442 Cb 0.22 -2.70 0.67 0.00 1.02 0.00 0.00 30.24 29.46 3kdz n GLN 442 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 177.06 175.65 3kdz n ASP 443 N 2.24 0.00 -3.44 1.08 5.68 -1.18 -2.74 116.55 118.18 3kdz n ASP 443 Ca 0.44 -0.07 -0.17 0.00 -0.50 0.00 0.00 54.79 54.48 3kdz n ASP 443 Cb 0.31 -0.29 -0.11 0.00 -1.14 0.00 0.00 41.12 39.89 3kdz n ASP 443 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 3kdz s VAL 444 N -2.59 -0.37 0.54 2.12 1.01 -1.26 -4.40 120.40 115.45 3kdz s VAL 444 Ca 0.25 -0.32 0.03 0.00 0.00 0.00 0.00 61.98 61.93 3kdz s VAL 444 Cb 0.18 -0.85 0.02 0.00 0.00 0.00 0.00 36.38 35.73 3kdz s VAL 444 CO 0.41 -0.35 0.21 0.68 0.00 0.00 0.00 175.10 176.06 3kdz s VAL 445 N 2.35 1.31 -0.11 2.92 -7.23 -1.26 -5.09 120.40 113.29 3kdz s VAL 445 Ca 0.09 -1.74 0.06 0.00 -1.81 0.00 0.00 61.98 58.58 3kdz s VAL 445 Cb -0.15 -2.05 -0.09 0.00 0.56 0.00 0.00 36.38 34.66 3kdz s VAL 445 CO -0.24 0.00 0.18 -1.54 -0.31 0.00 0.00 175.10 173.20 3kdz n SER 446 N -1.56 2.41 -1.85 4.85 3.41 -0.89 -4.48 113.62 115.51 3kdz n SER 446 Ca -0.11 -0.22 -0.15 0.00 -0.26 0.00 0.00 58.87 58.12 3kdz n SER 446 Cb 0.66 1.19 -0.04 0.00 -0.26 0.00 0.00 64.21 65.76 3kdz n SER 446 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 3kdz n MET 447 N -1.53 -1.64 -0.04 4.33 2.81 0.42 -3.84 117.12 117.64 3kdz n MET 447 Ca -0.00 0.81 0.20 0.00 -1.81 0.00 0.00 57.70 56.90 3kdz n MET 447 Cb 0.14 -5.24 0.66 0.00 -0.71 0.00 0.00 33.22 28.08 3kdz n MET 447 CO 0.00 0.00 0.00 0.78 1.51 0.00 0.00 175.97 178.26 3kdz h GLY 448 N 0.00 0.12 1.91 3.03 0.00 -1.80 -1.03 103.07 105.30 3kdz h GLY 448 Ca -0.33 -0.03 -0.09 0.00 0.00 0.00 0.00 47.33 46.88 3kdz h GLY 448 CO 0.44 0.01 -0.40 -2.00 0.00 0.00 0.00 176.54 174.59 3kdz h LEU 449 N 0.07 0.11 -0.61 3.11 5.85 -1.88 -0.03 115.31 121.93 3kdz h LEU 449 Ca 0.28 -0.04 -0.12 0.00 0.84 0.00 0.00 57.88 58.84 3kdz h LEU 449 Cb 1.02 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 42.01 3kdz h LEU 449 CO -0.02 0.50 -0.16 0.40 -0.34 0.00 0.00 178.44 178.81 3kdz h ILE 450 N 0.09 1.27 -0.44 4.05 2.04 -1.52 -0.79 117.51 122.21 3kdz h ILE 450 Ca 0.01 -1.30 -0.00 0.00 1.00 0.00 0.00 64.86 64.56 3kdz h ILE 450 Cb 0.75 1.07 -0.02 0.00 -0.74 0.00 0.00 36.82 37.87 3kdz h ILE 450 CO 0.06 0.45 0.27 0.28 0.00 0.00 0.00 178.15 179.20 3kdz h SER 451 N 0.82 0.53 -0.52 1.72 0.02 -1.07 0.18 113.55 115.24 3kdz h SER 451 Ca 0.12 -0.05 -0.01 0.00 -0.84 0.00 0.00 61.79 61.00 3kdz h SER 451 Cb 0.71 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 63.09 3kdz h SER 451 CO 0.05 0.43 0.27 0.00 -1.14 0.00 0.00 176.83 176.44 3kdz h ALA 452 N 1.13 0.66 -0.00 3.77 0.00 -0.76 -1.65 119.26 122.41 3kdz h ALA 452 Ca 0.16 -0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.89 3kdz h ALA 452 Cb -0.01 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 3kdz h ALA 452 CO -0.03 0.20 -0.34 0.00 0.00 0.00 0.00 179.25 179.08 3kdz h ARG 453 N 0.69 0.00 -0.11 0.00 3.08 -0.77 -1.02 114.38 116.25 3kdz h ARG 453 Ca 0.18 -0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.22 3kdz h ARG 453 Cb 0.08 -0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.13 3kdz h ARG 453 CO -0.03 0.34 0.02 -0.91 -1.07 0.00 0.00 179.97 178.33 3kdz h ASN 454 N 0.00 0.17 -0.43 7.04 2.35 -0.05 -1.42 115.58 123.25 3kdz h ASN 454 Ca -0.00 -0.26 -0.05 0.00 -0.55 0.00 0.00 56.30 55.44 3kdz h ASN 454 Cb 0.61 -0.05 -0.02 0.00 0.05 0.00 0.00 38.32 38.91 3kdz h ASN 454 CO 0.04 0.39 0.11 0.00 -1.65 0.00 0.00 177.43 176.33 3kdz h ALA 455 N 0.79 1.27 -0.38 -0.83 0.00 -1.08 -2.19 119.26 116.84 3kdz h ALA 455 Ca 0.03 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.73 3kdz h ALA 455 Cb 0.29 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 3kdz h ALA 455 CO 0.00 0.51 0.18 -0.09 0.00 0.00 0.00 179.25 179.85 3kdz h ARG 456 N 0.73 0.55 -0.29 0.00 2.43 -0.98 -1.14 114.38 115.67 3kdz h ARG 456 Ca 0.16 -0.08 0.00 0.00 -0.81 0.00 0.00 59.98 59.25 3kdz h ARG 456 Cb 0.28 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.72 3kdz h ARG 456 CO -0.00 0.50 0.19 -0.09 -1.51 0.00 0.00 179.97 179.06 3kdz h ARG 457 N 0.48 0.38 -0.60 0.20 2.43 -0.80 0.54 114.38 117.01 3kdz h ARG 457 Ca 0.13 -0.02 -0.04 0.00 -0.81 0.00 0.00 59.98 59.24 3kdz h ARG 457 Cb 0.13 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 29.57 3kdz h ARG 457 CO -0.02 0.25 0.22 0.28 -1.51 0.00 0.00 179.97 179.19 3kdz h VAL 458 N 0.39 1.24 -0.14 0.20 2.07 -1.32 0.08 116.25 118.76 3kdz h VAL 458 Ca 0.11 -0.76 0.03 0.00 0.82 0.00 0.00 66.70 66.90 3kdz h VAL 458 Cb -0.04 0.60 -0.03 0.00 -1.52 0.00 0.00 31.29 30.30 3kdz h VAL 458 CO -0.03 0.29 -0.06 0.25 0.02 0.00 0.00 177.57 178.04 3kdz h LEU 459 N 0.84 -0.20 -0.57 2.57 5.85 -0.88 0.23 115.31 123.16 3kdz h LEU 459 Ca 0.20 0.05 0.03 0.00 0.84 0.00 0.00 57.88 59.00 3kdz h LEU 459 Cb 0.24 0.12 -0.04 0.00 0.37 0.00 0.00 40.66 41.34 3kdz h LEU 459 CO -0.01 -0.08 0.34 -1.28 -0.34 0.00 0.00 178.44 177.06 3kdz h SER 460 N -0.04 0.53 0.21 1.25 0.87 -0.51 -2.00 113.55 113.86 3kdz h SER 460 Ca 0.08 0.01 -0.09 0.00 -1.23 0.00 0.00 61.79 60.56 3kdz h SER 460 Cb 0.15 -0.10 -0.01 0.00 -0.44 0.00 0.00 62.40 62.00 3kdz h SER 460 CO -0.17 0.37 -0.33 0.78 -0.53 0.00 0.00 176.83 176.95 3kdz h ASN 461 N 0.66 0.19 0.40 6.23 2.35 -0.51 -2.74 115.58 122.15 3kdz h ASN 461 Ca 0.24 -0.06 -0.05 0.00 -0.55 0.00 0.00 56.30 55.87 3kdz h ASN 461 Cb 0.06 -0.05 -0.01 0.00 0.05 0.00 0.00 38.32 38.37 3kdz h ASN 461 CO -0.12 0.52 -0.24 0.78 -1.65 0.00 0.00 177.43 176.72 3kdz h ASN 462 N 0.16 0.00 0.10 5.81 4.21 0.19 -2.22 115.58 123.84 3kdz h ASN 462 Ca 0.02 0.00 -0.11 0.00 1.21 0.00 0.00 56.30 57.42 3kdz h ASN 462 Cb 0.67 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.86 3kdz h ASN 462 CO 0.05 0.24 -0.37 0.78 -1.29 0.00 0.00 177.43 176.84 3kdz h ASN 463 N 0.00 0.38 -0.26 5.81 2.35 -1.15 0.17 115.58 122.88 3kdz h ASN 463 Ca -0.00 -0.15 -0.18 0.00 -0.55 0.00 0.00 56.30 55.42 3kdz h ASN 463 Cb 0.51 -0.11 0.00 0.00 0.05 0.00 0.00 38.32 38.77 3kdz h ASN 463 CO 0.03 0.73 -0.53 0.11 -1.65 0.00 0.00 177.43 176.12 3kdz h LYS 464 N 0.31 0.82 0.09 0.81 1.57 -1.50 0.14 116.57 118.81 3kdz h LYS 464 Ca 0.03 -0.53 -0.00 0.00 -1.87 0.00 0.00 60.65 58.28 3kdz h LYS 464 Cb 0.80 0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.18 3kdz h LYS 464 CO 0.06 1.16 -0.04 0.82 -0.57 0.00 0.00 179.45 180.88 3kdz h ILE 465 N 0.59 0.92 -0.32 1.86 2.04 -1.16 -2.22 117.51 119.23 3kdz h ILE 465 Ca 0.01 -0.05 -0.03 0.00 1.00 0.00 0.00 64.86 65.79 3kdz h ILE 465 Cb 1.14 0.95 -0.02 0.00 -0.74 0.00 0.00 36.82 38.15 3kdz h ILE 465 CO 0.12 0.01 0.06 -0.07 0.00 0.00 0.00 178.15 178.27 3kdz h LEU 466 N -0.14 0.42 -0.32 1.44 3.38 -0.90 -2.40 115.31 116.79 3kdz h LEU 466 Ca -0.01 -0.06 0.04 0.00 0.09 0.00 0.00 57.88 57.94 3kdz h LEU 466 Cb 0.11 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 3kdz h LEU 466 CO 0.02 0.44 0.11 0.00 0.09 0.00 0.00 178.44 179.11 3kdz h ALA 467 N 1.62 0.37 -0.45 1.53 0.00 -0.18 0.29 119.26 122.44 3kdz h ALA 467 Ca 0.11 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 3kdz h ALA 467 Cb 0.21 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 3kdz h ALA 467 CO -0.00 -0.29 0.18 0.28 0.00 0.00 0.00 179.25 179.42 3kdz h VAL 468 N 0.25 1.17 -0.35 0.00 2.07 -0.95 -1.24 116.25 117.20 3kdz h VAL 468 Ca 0.14 -0.52 -0.14 0.00 0.82 0.00 0.00 66.70 67.00 3kdz h VAL 468 Cb 0.12 0.64 -0.01 0.00 -1.52 0.00 0.00 31.29 30.51 3kdz h VAL 468 CO -0.15 0.20 -0.35 -0.08 0.02 0.00 0.00 177.57 177.21 3kdz h GLU 469 N 0.63 0.81 -0.24 1.57 4.81 -0.63 -0.10 114.58 121.43 3kdz h GLU 469 Ca 0.15 -0.40 -0.03 0.00 -0.13 0.00 0.00 59.36 58.95 3kdz h GLU 469 Cb 0.12 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.50 3kdz h GLU 469 CO -0.02 1.03 0.03 1.88 -0.73 0.00 0.00 179.01 181.20 3kdz h TYR 470 N 0.67 0.44 -0.78 0.92 -1.99 0.05 0.47 116.97 116.76 3kdz h TYR 470 Ca 0.06 -0.07 -0.00 0.00 2.00 0.00 0.00 58.73 60.73 3kdz h TYR 470 Cb 0.90 -0.12 -0.04 0.00 2.00 0.00 0.00 36.73 39.48 3kdz h TYR 470 CO 0.05 0.54 0.47 -0.07 -0.00 0.00 0.00 178.16 179.15 3kdz h LEU 471 N 0.21 0.93 -0.24 3.88 3.38 -1.14 -1.28 115.31 121.04 3kdz h LEU 471 Ca 0.07 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 3kdz h LEU 471 Cb 0.35 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 3kdz h LEU 471 CO 0.01 0.72 0.09 0.00 0.09 0.00 0.00 178.44 179.35 3kdz h ALA 472 N 1.25 0.32 -0.62 1.53 0.00 -0.82 -1.41 119.26 119.51 3kdz h ALA 472 Ca 0.28 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 3kdz h ALA 472 Cb -0.04 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 3kdz h ALA 472 CO -0.05 -0.08 0.32 0.00 0.00 0.00 0.00 179.25 179.43 3kdz h ALA 473 N 0.93 0.80 -0.69 0.00 0.00 -0.65 -0.60 119.26 119.06 3kdz h ALA 473 Ca 0.08 -0.12 -0.07 0.00 0.00 0.00 0.00 54.91 54.80 3kdz h ALA 473 Cb 0.19 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 3kdz h ALA 473 CO -0.01 0.35 0.16 0.00 0.00 0.00 0.00 179.25 179.76 3kdz h ALA 474 N 1.14 0.92 -0.55 0.00 0.00 -1.15 -2.70 119.26 116.92 3kdz h ALA 474 Ca 0.22 -0.25 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 3kdz h ALA 474 Cb 0.09 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 3kdz h ALA 474 CO -0.03 0.64 0.18 0.37 0.00 0.00 0.00 179.25 180.42 3kdz h GLN 475 N 1.05 0.84 0.00 0.00 5.75 -0.88 -2.26 115.11 119.61 3kdz h GLN 475 Ca 0.22 -0.17 -0.01 0.00 -0.15 0.00 0.00 58.65 58.54 3kdz h GLN 475 Cb 0.38 -0.12 -0.00 0.00 1.07 0.00 0.00 27.48 28.80 3kdz h GLN 475 CO 0.00 0.76 -0.03 0.00 -2.65 0.00 0.00 178.83 176.91 3kdz h ALA 476 N 1.04 1.58 -0.03 3.38 0.00 -0.92 -0.98 119.26 123.32 3kdz h ALA 476 Ca 0.18 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 3kdz h ALA 476 Cb 0.26 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.04 3kdz h ALA 476 CO -0.01 0.04 -0.09 0.28 0.00 0.00 0.00 179.25 179.47 3kdz h VAL 477 N 0.00 1.47 -0.78 0.00 2.07 -1.10 -2.29 116.25 115.63 3kdz h VAL 477 Ca -0.00 -1.51 -0.00 0.00 0.82 0.00 0.00 66.70 66.01 3kdz h VAL 477 Cb 0.08 2.40 -0.04 0.00 -1.52 0.00 0.00 31.29 32.21 3kdz h VAL 477 CO 0.00 0.41 0.48 0.44 0.02 0.00 0.00 177.57 178.93 3kdz h ASP 478 N -0.45 0.92 0.19 0.57 3.45 -1.02 0.21 116.42 120.29 3kdz h ASP 478 Ca -0.00 -0.05 -0.14 0.00 0.43 0.00 0.00 57.03 57.27 3kdz h ASP 478 Cb 0.71 -0.23 -0.01 0.00 -0.56 0.00 0.00 39.33 39.24 3kdz h ASP 478 CO 0.02 0.70 -0.52 0.40 -1.57 0.00 0.00 179.24 178.27 3kdz h ILE 479 N 1.06 1.34 0.00 0.35 2.04 -1.28 -3.06 117.51 117.97 3kdz h ILE 479 Ca 0.28 -1.78 0.00 0.00 1.00 0.00 0.00 64.86 64.36 3kdz h ILE 479 Cb -0.07 1.81 0.00 0.00 -0.74 0.00 0.00 36.82 37.83 3kdz h ILE 479 CO -0.06 0.54 -0.56 0.77 0.00 0.00 0.00 178.15 178.84 3kdz h SER 480 N 0.29 0.00 -4.82 1.72 4.64 -1.17 -3.48 113.55 110.73 3kdz h SER 480 Ca 0.01 -0.00 -0.30 0.00 -0.47 0.00 0.00 61.79 61.02 3kdz h SER 480 Cb 1.01 0.00 0.12 0.00 -0.31 0.00 0.00 62.40 63.22 3kdz h SER 480 CO 0.09 0.00 -0.55 0.61 -0.87 0.00 0.00 176.83 176.11 3kdz n GLY 481 N 1.15 -0.22 0.94 -0.77 0.00 0.73 -4.92 105.19 102.10 3kdz n GLY 481 Ca 0.02 0.04 0.08 0.00 0.00 0.00 0.00 46.02 46.15 3kdz n GLY 481 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kdz n ARG 482 N -3.90 3.08 -0.26 1.61 1.74 -1.04 -4.69 116.66 113.20 3kdz n ARG 482 Ca -0.05 -2.49 0.01 0.00 -0.77 0.00 0.00 57.85 54.55 3kdz n ARG 482 Cb 0.57 -1.59 0.14 0.00 -1.02 0.00 0.00 32.46 30.56 3kdz n ARG 482 CO 0.00 0.00 0.00 0.35 -1.52 0.00 0.00 177.63 176.46 3kdz h PHE 483 N 2.47 0.71 0.00 -1.55 3.57 -1.92 -0.93 116.94 119.30 3kdz h PHE 483 Ca 0.00 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.53 3kdz h PHE 483 Cb 1.11 -0.21 0.00 0.00 2.79 0.00 0.00 35.95 39.64 3kdz h PHE 483 CO 0.44 0.29 0.00 -0.25 -2.23 0.00 0.00 178.31 176.55 3kdz n ASP 484 N -4.81 0.20 0.01 0.41 8.00 -1.26 -1.80 116.55 117.30 3kdz n ASP 484 Ca 0.11 0.57 0.11 0.00 0.71 0.00 0.00 54.79 56.28 3kdz n ASP 484 Cb 0.25 -0.60 -0.08 0.00 -0.02 0.00 0.00 41.12 40.67 3kdz n ASP 484 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3kdz n GLY 485 N -0.55 -1.07 3.73 0.44 0.00 -0.37 -4.95 105.19 102.43 3kdz n GLY 485 Ca 0.02 -0.51 -0.37 0.00 0.00 0.00 0.00 46.02 45.16 3kdz n GLY 485 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kdz s LEU 486 N -3.68 3.55 0.89 0.99 1.43 -0.75 -0.97 118.68 120.14 3kdz s LEU 486 Ca 0.03 2.58 -0.12 0.00 -1.03 0.00 0.00 54.13 55.58 3kdz s LEU 486 Cb 0.15 -4.61 0.12 0.00 0.03 0.00 0.00 46.19 41.88 3kdz s LEU 486 CO 0.86 -2.01 1.13 -0.94 0.23 0.00 0.00 176.35 175.61 3kdz s SER 487 N -1.48 3.72 0.23 2.29 1.04 -1.26 -4.69 113.70 113.54 3kdz s SER 487 Ca 0.81 1.05 -0.07 0.00 0.48 0.00 0.00 55.95 58.22 3kdz s SER 487 Cb -0.36 -1.66 0.34 0.00 0.10 0.00 0.00 66.02 64.44 3kdz s SER 487 CO 0.40 -2.43 1.76 -0.65 0.98 0.00 0.00 173.24 173.30 3kdz h PRO 488 N -1.41 0.52 -0.15 4.02 0.11 -1.81 0.56 132.00 133.84 3kdz h PRO 488 Ca -0.50 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.56 3kdz h PRO 488 Cb 1.32 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 3kdz h PRO 488 CO 0.61 0.34 0.02 0.00 -0.21 0.00 0.00 178.00 178.77 3kdz h ALA 489 N 1.45 0.20 -0.51 -0.75 0.00 -1.88 -2.30 119.26 115.47 3kdz h ALA 489 Ca 0.35 -0.16 0.02 0.00 0.00 0.00 0.00 54.91 55.12 3kdz h ALA 489 Cb 0.42 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 3kdz h ALA 489 CO -0.30 -0.13 0.34 0.00 0.00 0.00 0.00 179.25 179.15 3kdz h ALA 490 N 0.81 1.69 -0.47 0.00 0.00 -1.60 0.27 119.26 119.96 3kdz h ALA 490 Ca 0.05 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.82 3kdz h ALA 490 Cb 0.30 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 3kdz h ALA 490 CO 0.00 0.27 -0.14 0.87 0.00 0.00 0.00 179.25 180.25 3kdz h LYS 491 N 0.64 0.92 0.40 0.00 1.57 -0.72 0.14 116.57 119.53 3kdz h LYS 491 Ca 0.19 -0.36 -0.02 0.00 -1.87 0.00 0.00 60.65 58.59 3kdz h LYS 491 Cb -0.00 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.27 3kdz h LYS 491 CO -0.05 1.02 -0.19 0.00 -0.57 0.00 0.00 179.45 179.66 3kdz h ALA 492 N 0.87 -0.54 -0.09 3.86 0.00 -0.73 0.46 119.26 123.09 3kdz h ALA 492 Ca 0.11 -0.14 0.04 0.00 0.00 0.00 0.00 54.91 54.93 3kdz h ALA 492 Cb 0.70 0.21 -0.06 0.00 0.00 0.00 0.00 17.79 18.64 3kdz h ALA 492 CO 0.05 -0.77 -0.31 1.15 0.00 0.00 0.00 179.25 179.37 3kdz h THR 493 N -0.62 0.30 -0.49 0.00 2.02 -0.89 0.16 112.91 113.40 3kdz h THR 493 Ca -0.06 0.00 0.10 0.00 0.77 0.00 0.00 66.41 67.22 3kdz h THR 493 Cb 0.46 0.30 -0.09 0.00 -1.74 0.00 0.00 68.15 67.09 3kdz h THR 493 CO 0.09 0.00 -0.06 0.22 0.37 0.00 0.00 175.52 176.15 3kdz h TYR 494 N -0.41 -0.14 -0.46 3.16 3.20 -0.58 -1.67 116.97 120.07 3kdz h TYR 494 Ca 0.09 0.04 -0.07 0.00 3.14 0.00 0.00 58.73 61.93 3kdz h TYR 494 Cb 0.54 0.14 -0.02 0.00 1.54 0.00 0.00 36.73 38.93 3kdz h TYR 494 CO -0.38 -0.16 0.02 0.93 -1.64 0.00 0.00 178.16 176.93 3kdz h GLU 495 N 0.06 0.75 -0.36 1.82 5.08 -0.09 -1.81 114.58 120.02 3kdz h GLU 495 Ca 0.24 -0.19 -0.03 0.00 -1.00 0.00 0.00 59.36 58.39 3kdz h GLU 495 Cb 0.38 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.51 3kdz h GLU 495 CO -0.46 0.74 0.08 0.00 -1.00 0.00 0.00 179.01 178.38 3kdz h ALA 496 N 1.32 1.47 -0.06 3.43 0.00 0.18 -0.88 119.26 124.73 3kdz h ALA 496 Ca 0.14 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 3kdz h ALA 496 Cb 0.40 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.04 3kdz h ALA 496 CO 0.01 0.39 -0.14 0.28 0.00 0.00 0.00 179.25 179.79 3kdz h VAL 497 N 0.52 1.43 -0.06 0.00 2.07 -0.84 -3.17 116.25 116.20 3kdz h VAL 497 Ca 0.12 -1.49 -0.04 0.00 0.82 0.00 0.00 66.70 66.11 3kdz h VAL 497 Cb 0.21 2.26 -0.01 0.00 -1.52 0.00 0.00 31.29 32.23 3kdz h VAL 497 CO -0.00 0.41 -0.13 0.03 0.02 0.00 0.00 177.57 177.90 3kdz h ARG 498 N -0.30 0.09 -0.06 1.57 2.47 -1.17 0.33 114.38 117.32 3kdz h ARG 498 Ca -0.00 -0.02 -0.03 0.00 -1.26 0.00 0.00 59.98 58.67 3kdz h ARG 498 Cb 0.74 -0.01 -0.01 0.00 -1.65 0.00 0.00 29.97 29.04 3kdz h ARG 498 CO 0.03 0.23 -0.10 -0.09 0.56 0.00 0.00 179.97 180.60 3kdz h ARG 499 N 0.09 0.08 0.07 0.04 2.43 -1.15 -3.10 114.38 112.85 3kdz h ARG 499 Ca 0.02 -0.01 -0.37 0.00 -0.81 0.00 0.00 59.98 58.80 3kdz h ARG 499 Cb 0.29 -0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 29.79 3kdz h ARG 499 CO 0.02 0.19 -2.17 1.28 -1.51 0.00 0.00 179.97 177.77 3kdz n LEU 500 N -4.38 2.74 -3.82 3.80 4.77 -0.53 -4.97 117.00 114.62 3kdz n LEU 500 Ca -0.02 0.08 -0.15 0.00 -0.03 0.00 0.00 56.01 55.90 3kdz n LEU 500 Cb 0.20 -1.03 -0.15 0.00 -2.33 0.00 0.00 43.42 40.10 3kdz n LEU 500 CO 0.36 0.87 -0.36 -0.69 -1.33 0.00 0.00 177.39 176.24 3kdz s VAL 501 N -2.54 0.02 0.70 4.08 1.01 0.11 -5.03 120.40 118.76 3kdz s VAL 501 Ca -0.28 0.11 -0.11 0.00 0.00 0.00 0.00 61.98 61.70 3kdz s VAL 501 Cb 0.08 -0.11 0.01 0.00 0.00 0.00 0.00 36.38 36.36 3kdz s VAL 501 CO 0.69 0.08 1.09 -2.16 0.00 0.00 0.00 175.10 174.80 3kdz s PRO 502 N 0.71 2.88 0.93 2.72 0.04 -1.26 -3.73 135.00 137.30 3kdz s PRO 502 Ca -0.06 0.54 -0.13 0.00 0.04 0.00 0.00 61.00 61.38 3kdz s PRO 502 Cb -0.09 -2.02 0.01 0.00 0.04 0.00 0.00 34.50 32.44 3kdz s PRO 502 CO -0.02 -1.04 0.29 2.41 0.04 0.00 0.00 177.00 178.69 3kdz n THR 503 N -3.02 0.17 -3.38 1.26 -1.04 -1.26 -4.91 114.28 102.10 3kdz n THR 503 Ca 0.07 -0.24 -0.45 0.00 -2.04 0.00 0.00 64.05 61.38 3kdz n THR 503 Cb 0.56 -0.57 -0.04 0.00 -1.82 0.00 0.00 70.33 68.46 3kdz n THR 503 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 3kdz s LEU 504 N -0.07 6.34 0.00 -4.42 2.96 -1.26 -4.95 118.68 117.28 3kdz s LEU 504 Ca 0.56 -2.33 0.00 0.00 -0.22 0.00 0.00 54.13 52.14 3kdz s LEU 504 Cb -0.22 -2.16 0.00 0.00 0.50 0.00 0.00 46.19 44.31 3kdz s LEU 504 CO 0.68 -0.66 0.00 0.61 -1.32 0.00 0.00 176.35 175.66 3kdz n GLY 505 N 4.45 0.16 3.97 7.98 0.00 -1.26 -4.52 105.19 115.97 3kdz n GLY 505 Ca 0.02 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.83 3kdz n GLY 505 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3kdz s VAL 506 N 0.00 2.62 0.56 1.61 -7.23 -1.26 -4.06 120.40 112.63 3kdz s VAL 506 Ca 0.00 -0.66 -0.21 0.00 -1.81 0.00 0.00 61.98 59.30 3kdz s VAL 506 Cb 0.00 -2.96 -0.04 0.00 0.56 0.00 0.00 36.38 33.94 3kdz s VAL 506 CO 0.00 0.00 1.36 -1.81 -0.31 0.00 0.00 175.10 174.34 3kdz s ASP 507 N -4.45 5.18 0.17 4.85 1.01 -1.26 -5.03 116.67 117.14 3kdz s ASP 507 Ca 0.58 2.77 -0.23 0.00 0.71 0.00 0.00 52.55 56.38 3kdz s ASP 507 Cb -0.10 -2.64 0.06 0.00 1.01 0.00 0.00 42.92 41.26 3kdz s ASP 507 CO 0.39 -1.63 0.68 0.00 0.21 0.00 0.00 175.17 174.82 3kdz s ARG 508 N -2.95 1.33 -0.28 8.23 1.70 -1.26 -5.11 118.95 120.61 3kdz s ARG 508 Ca 0.73 -0.58 -0.39 0.00 -0.47 0.00 0.00 55.73 55.02 3kdz s ARG 508 Cb -0.41 0.56 -0.15 0.00 -0.57 0.00 0.00 34.95 34.38 3kdz s ARG 508 CO 0.48 -0.59 1.82 0.98 -1.08 0.00 0.00 175.30 176.90 3kdz n TYR 509 N -0.39 2.02 0.02 5.89 9.36 -1.26 -4.85 117.16 127.95 3kdz n TYR 509 Ca -0.12 0.46 0.03 0.00 3.32 0.00 0.00 57.90 61.59 3kdz n TYR 509 Cb 0.63 -2.48 -0.09 0.00 -0.63 0.00 0.00 39.34 36.77 3kdz n TYR 509 CO 0.00 0.00 0.00 -1.33 0.22 0.00 0.00 176.86 175.75 3kdz n MET 510 N 5.88 0.63 -0.07 2.98 2.81 -1.26 -4.61 117.12 123.48 3kdz n MET 510 Ca 0.29 0.10 -0.10 0.00 -1.81 0.00 0.00 57.70 56.17 3kdz n MET 510 Cb 0.15 -1.73 -0.05 0.00 -0.71 0.00 0.00 33.22 30.89 3kdz n MET 510 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3kdz h ALA 511 N 1.58 -0.45 -0.98 3.04 0.00 -2.00 -2.21 119.26 118.24 3kdz h ALA 511 Ca -0.15 0.04 0.04 0.00 0.00 0.00 0.00 54.91 54.84 3kdz h ALA 511 Cb 1.45 0.81 -0.06 0.00 0.00 0.00 0.00 17.79 19.99 3kdz h ALA 511 CO 0.03 -0.86 0.64 -0.44 0.00 0.00 0.00 179.25 178.62 3kdz h ASP 512 N -0.38 1.07 -0.61 0.00 3.32 -1.99 -1.18 116.42 116.64 3kdz h ASP 512 Ca 0.12 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.16 3kdz h ASP 512 Cb 0.59 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 39.87 3kdz h ASP 512 CO -0.49 0.73 0.40 0.44 -1.72 0.00 0.00 179.24 178.59 3kdz h ASP 513 N 1.23 0.71 -0.26 6.45 5.19 -1.72 0.06 116.42 128.09 3kdz h ASP 513 Ca 0.39 -0.03 -0.06 0.00 -0.62 0.00 0.00 57.03 56.72 3kdz h ASP 513 Cb 0.02 -0.18 -0.01 0.00 0.18 0.00 0.00 39.33 39.34 3kdz h ASP 513 CO -0.13 0.53 -0.07 0.40 -3.12 0.00 0.00 179.24 176.85 3kdz h ILE 514 N 0.83 1.28 0.00 0.35 2.04 -0.83 -1.68 117.51 119.50 3kdz h ILE 514 Ca 0.22 -1.09 -0.04 0.00 1.00 0.00 0.00 64.86 64.95 3kdz h ILE 514 Cb -0.08 1.45 -0.01 0.00 -0.74 0.00 0.00 36.82 37.45 3kdz h ILE 514 CO -0.05 0.34 -0.19 -0.33 0.00 0.00 0.00 178.15 177.93 3kdz h GLU 515 N 0.26 0.00 -0.19 2.37 4.39 -1.14 -0.08 114.58 120.19 3kdz h GLU 515 Ca 0.07 0.00 -0.15 0.00 0.34 0.00 0.00 59.36 59.61 3kdz h GLU 515 Cb 0.54 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.20 3kdz h GLU 515 CO 0.03 0.19 -0.47 1.25 -1.16 0.00 0.00 179.01 178.84 3kdz h LEU 516 N 0.00 0.75 -0.09 1.33 5.85 -0.67 -2.24 115.31 120.25 3kdz h LEU 516 Ca -0.00 -0.57 -0.04 0.00 0.84 0.00 0.00 57.88 58.11 3kdz h LEU 516 Cb 0.54 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.34 3kdz h LEU 516 CO 0.02 1.19 -0.17 0.58 -0.34 0.00 0.00 178.44 179.72 3kdz h VAL 517 N 0.35 0.30 -0.10 1.05 2.07 -1.00 -3.04 116.25 115.88 3kdz h VAL 517 Ca -0.00 -1.38 -0.19 0.00 0.82 0.00 0.00 66.70 65.94 3kdz h VAL 517 Cb 1.09 2.11 0.01 0.00 -1.52 0.00 0.00 31.29 32.98 3kdz h VAL 517 CO 0.10 0.17 -0.69 0.00 0.02 0.00 0.00 177.57 177.17 3kdz h ALA 518 N 1.83 0.22 -0.33 1.67 0.00 -0.96 -2.65 119.26 119.04 3kdz h ALA 518 Ca -0.00 -0.57 -0.12 0.00 0.00 0.00 0.00 54.91 54.22 3kdz h ALA 518 Cb 1.10 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 3kdz h ALA 518 CO 0.02 0.53 -0.27 -0.44 0.00 0.00 0.00 179.25 179.09 3kdz h ASP 519 N 0.30 0.70 -0.75 0.00 3.32 -1.45 -2.11 116.42 116.42 3kdz h ASP 519 Ca -0.06 -0.26 -0.01 0.00 0.02 0.00 0.00 57.03 56.72 3kdz h ASP 519 Cb 1.33 -0.19 -0.04 0.00 0.22 0.00 0.00 39.33 40.66 3kdz h ASP 519 CO 0.14 0.94 0.42 0.00 -1.72 0.00 0.00 179.24 179.02 3kdz h ALA 520 N 1.11 0.96 -0.51 3.45 0.00 -1.53 -2.29 119.26 120.45 3kdz h ALA 520 Ca 0.08 -0.11 -0.08 0.00 0.00 0.00 0.00 54.91 54.79 3kdz h ALA 520 Cb 0.77 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 3kdz h ALA 520 CO 0.06 0.47 -0.02 -0.07 0.00 0.00 0.00 179.25 179.69 3kdz h LEU 521 N 1.04 0.85 -0.96 0.00 3.38 -1.21 -1.31 115.31 117.10 3kdz h LEU 521 Ca 0.27 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 58.01 3kdz h LEU 521 Cb 0.02 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.54 3kdz h LEU 521 CO -0.04 0.92 0.00 0.77 0.09 0.00 0.00 178.44 180.18 3kdz h SER 522 N 0.81 0.00 -0.30 -0.43 4.64 -0.88 -1.75 113.55 115.64 3kdz h SER 522 Ca 0.15 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.47 3kdz h SER 522 Cb 0.51 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.60 3kdz h SER 522 CO 0.03 0.00 0.00 0.54 -0.87 0.00 0.00 176.83 176.53 3kdz n ARG 523 N -2.42 2.37 -2.13 4.77 1.74 -0.80 -4.96 116.66 115.23 3kdz n ARG 523 Ca 0.01 -2.15 -0.14 0.00 -0.77 0.00 0.00 57.85 54.81 3kdz n ARG 523 Cb 0.23 -1.48 -0.01 0.00 -1.02 0.00 0.00 32.46 30.18 3kdz n ARG 523 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3kdz n GLY 524 N 1.38 0.05 0.20 -0.13 0.00 -0.66 -4.91 105.19 101.12 3kdz n GLY 524 Ca 0.17 -0.32 0.14 0.00 0.00 0.00 0.00 46.02 46.02 3kdz n GLY 524 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3kdz h GLU 525 N 0.00 0.00 0.00 1.61 5.08 -1.50 -1.29 114.58 118.48 3kdz h GLU 525 Ca -0.32 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 57.85 3kdz h GLU 525 Cb 1.19 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.41 3kdz h GLU 525 CO 0.39 0.00 -1.37 0.74 -1.00 0.00 0.00 179.01 177.77 3kdz h PHE 526 N 0.00 0.00 -0.05 4.33 0.04 -1.90 -2.29 116.94 117.07 3kdz h PHE 526 Ca 0.00 0.00 -0.23 0.00 2.80 0.00 0.00 57.97 60.54 3kdz h PHE 526 Cb 0.46 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.62 3kdz h PHE 526 CO 0.00 0.68 -0.89 1.25 -0.60 0.00 0.00 178.31 178.75 3kdz h LEU 527 N 0.00 0.69 0.43 1.54 5.85 -1.89 -3.11 115.31 118.82 3kdz h LEU 527 Ca -0.17 -0.51 -0.01 0.00 0.84 0.00 0.00 57.88 58.03 3kdz h LEU 527 Cb 1.67 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 42.48 3kdz h LEU 527 CO 0.06 1.30 -0.28 -0.09 -0.34 0.00 0.00 178.44 179.09 3kdz h ARG 528 N 0.34 -0.66 -0.69 1.25 2.43 -1.27 -2.23 114.38 113.55 3kdz h ARG 528 Ca -0.08 0.04 0.15 0.00 -0.81 0.00 0.00 59.98 59.29 3kdz h ARG 528 Cb 1.52 0.15 -0.12 0.00 -0.42 0.00 0.00 29.97 31.10 3kdz h ARG 528 CO 0.16 -0.44 0.04 0.00 -1.51 0.00 0.00 179.97 178.23 3kdz h ALA 529 N -0.17 0.74 -0.56 2.80 0.00 -1.43 0.19 119.26 120.84 3kdz h ALA 529 Ca -0.05 0.20 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 3kdz h ALA 529 Cb 0.56 0.34 -0.03 0.00 0.00 0.00 0.00 17.79 18.67 3kdz h ALA 529 CO 0.04 -0.39 0.34 0.82 0.00 0.00 0.00 179.25 180.06 3kdz h ILE 530 N 0.14 1.16 -0.00 0.00 5.03 -1.45 -0.41 117.51 121.98 3kdz h ILE 530 Ca 0.37 -0.36 0.02 0.00 -0.12 0.00 0.00 64.86 64.78 3kdz h ILE 530 Cb 0.64 0.40 -0.03 0.00 -3.03 0.00 0.00 36.82 34.79 3kdz h ILE 530 CO -0.57 0.17 -0.15 0.00 -0.68 0.00 0.00 178.15 176.92 3kdz h ALA 531 N 1.17 -0.17 0.08 1.87 0.00 -0.09 -1.17 119.26 120.95 3kdz h ALA 531 Ca 0.20 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.11 3kdz h ALA 531 Cb -0.02 0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.03 3kdz h ALA 531 CO -0.04 -0.64 -0.04 0.00 0.00 0.00 0.00 179.25 178.53 3kdz h ARG 532 N -0.24 -0.11 -0.00 0.00 3.08 -0.88 -3.31 114.38 112.92 3kdz h ARG 532 Ca 0.05 0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.11 3kdz h ARG 532 Cb 0.31 0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.38 3kdz h ARG 532 CO -0.15 0.24 -0.02 0.39 -1.07 0.00 0.00 179.97 179.36 3kdz n GLU 533 N -4.98 0.60 -4.12 0.04 -0.58 -0.18 -4.90 120.64 106.53 3kdz n GLU 533 Ca -0.08 -0.04 -0.16 0.00 -0.42 0.00 0.00 57.16 56.45 3kdz n GLU 533 Cb 0.21 -1.50 -0.04 0.00 -0.57 0.00 0.00 31.44 29.54 3kdz n GLU 533 CO 0.00 0.00 0.00 0.95 -0.48 0.00 0.00 177.13 177.60 3kdz s THR 534 N -2.42 0.00 -0.77 2.62 -4.23 -0.44 -4.97 115.64 105.42 3kdz s THR 534 Ca 0.33 -1.65 0.11 0.00 -1.18 0.00 0.00 61.69 59.30 3kdz s THR 534 Cb 0.21 -2.66 0.34 0.00 1.34 0.00 0.00 72.50 71.72 3kdz s THR 534 CO 0.44 0.00 1.28 0.47 -0.54 0.00 0.00 174.62 176.27 3kdz n ASP 535 N -1.56 3.07 -4.72 3.99 9.92 -1.26 -4.62 116.55 121.37 3kdz n ASP 535 Ca 0.02 -2.18 -0.42 0.00 -0.53 0.00 0.00 54.79 51.68 3kdz n ASP 535 Cb 0.61 -0.28 -0.03 0.00 -0.64 0.00 0.00 41.12 40.78 3kdz n ASP 535 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 3kdz s ILE 536 N -1.32 3.12 -0.62 0.53 1.01 -1.26 -4.97 121.20 117.69 3kdz s ILE 536 Ca 0.26 0.84 0.03 0.00 0.00 0.00 0.00 60.65 61.78 3kdz s ILE 536 Cb 0.16 -3.54 0.15 0.00 0.01 0.00 0.00 42.46 39.24 3kdz s ILE 536 CO 0.14 0.08 0.40 -1.58 0.00 0.00 0.00 174.94 173.98 3kdz s GLN 537 N 0.71 2.31 0.57 2.79 2.00 -1.26 -4.62 119.66 122.16 3kdz s GLN 537 Ca 0.63 -2.88 -0.20 0.00 -2.00 0.00 0.00 55.36 50.91 3kdz s GLN 537 Cb -0.38 -3.46 -0.06 0.00 0.80 0.00 0.00 33.01 29.91 3kdz s GLN 537 CO 0.33 -1.18 1.02 1.28 -0.50 0.00 0.00 175.29 176.24 3kdz n LEU 538 N 2.75 3.78 -0.25 3.68 4.77 -1.26 -5.10 117.00 125.37 3kdz n LEU 538 Ca 0.11 0.86 0.15 0.00 -0.03 0.00 0.00 56.01 57.10 3kdz n LEU 538 Cb 0.34 -1.41 0.73 0.00 -2.33 0.00 0.00 43.42 40.75 3kdz n LEU 538 CO 0.32 -1.64 0.98 0.54 -1.33 0.00 0.00 177.39 176.26