#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jdt h LYS 16 N 0.00 0.22 0.10 5.55 1.57 -2.05 0.14 116.57 122.10 2jdt h LYS 16 Ca 0.00 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.76 2jdt h LYS 16 Cb 0.00 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.26 2jdt h LYS 16 CO 0.00 0.15 -0.05 0.93 -0.57 0.00 0.00 179.45 179.91 2jdt h GLU 17 N 0.23 -0.13 -0.57 3.15 5.08 -2.05 -1.31 114.58 118.98 2jdt h GLU 17 Ca 0.43 0.01 0.11 0.00 -1.00 0.00 0.00 59.36 58.91 2jdt h GLU 17 Cb 0.76 0.03 -0.09 0.00 0.50 0.00 0.00 28.75 29.95 2jdt h GLU 17 CO -0.56 0.23 0.05 0.35 -1.00 0.00 0.00 179.01 178.08 2jdt h PHE 18 N -0.50 0.05 -0.34 4.33 3.57 -1.90 -2.33 116.94 119.82 2jdt h PHE 18 Ca -0.01 0.04 -0.09 0.00 3.53 0.00 0.00 57.97 61.44 2jdt h PHE 18 Cb 0.42 0.06 -0.02 0.00 2.79 0.00 0.00 35.95 39.20 2jdt h PHE 18 CO 0.05 -0.10 -0.16 -0.07 -2.23 0.00 0.00 178.31 175.79 2jdt h LEU 19 N 0.17 0.61 -0.63 0.59 3.38 -0.63 0.33 115.31 119.14 2jdt h LEU 19 Ca 0.30 -0.19 -0.02 0.00 0.09 0.00 0.00 57.88 58.06 2jdt h LEU 19 Cb 0.46 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.01 2jdt h LEU 19 CO -0.45 0.79 0.30 0.00 0.09 0.00 0.00 178.44 179.17 2jdt h ALA 20 N 1.27 0.81 0.03 1.53 0.00 -0.70 0.01 119.26 122.20 2jdt h ALA 20 Ca 0.09 -0.14 -0.27 0.00 0.00 0.00 0.00 54.91 54.59 2jdt h ALA 20 Cb 0.60 -0.25 0.02 0.00 0.00 0.00 0.00 17.79 18.16 2jdt h ALA 20 CO 0.04 0.37 -1.09 0.87 0.00 0.00 0.00 179.25 179.44 2jdt h LYS 21 N 0.86 0.68 -0.85 0.00 1.57 -1.32 -2.44 116.57 115.06 2jdt h LYS 21 Ca 0.22 -0.77 0.19 0.00 -1.87 0.00 0.00 60.65 58.42 2jdt h LYS 21 Cb 0.12 0.23 -0.12 0.00 0.08 0.00 0.00 32.23 32.54 2jdt h LYS 21 CO -0.03 1.34 0.35 0.00 -0.57 0.00 0.00 179.45 180.54 2jdt h ALA 22 N 0.39 1.30 -0.29 3.86 0.00 -0.69 -1.97 119.26 121.85 2jdt h ALA 22 Ca -0.14 0.15 -0.11 0.00 0.00 0.00 0.00 54.91 54.80 2jdt h ALA 22 Cb 1.75 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 19.66 2jdt h ALA 22 CO 0.21 -0.29 -0.29 -0.22 0.00 0.00 0.00 179.25 178.66 2jdt h LYS 23 N 0.42 0.61 -0.30 0.00 3.64 -0.53 -1.44 116.57 118.96 2jdt h LYS 23 Ca 0.51 -0.26 -0.02 0.00 -1.27 0.00 0.00 60.65 59.61 2jdt h LYS 23 Cb 0.90 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.69 2jdt h LYS 23 CO -0.49 0.83 0.11 0.93 -2.27 0.00 0.00 179.45 178.56 2jdt h GLU 24 N 0.52 0.45 -0.27 1.90 5.08 -1.04 -0.21 114.58 121.02 2jdt h GLU 24 Ca 0.07 -0.09 0.04 0.00 -1.00 0.00 0.00 59.36 58.37 2jdt h GLU 24 Cb 0.77 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.92 2jdt h GLU 24 CO 0.06 0.49 0.06 -0.44 -1.00 0.00 0.00 179.01 178.18 2jdt h ASP 25 N 0.33 0.03 0.09 1.42 3.32 -1.18 -2.84 116.42 117.59 2jdt h ASP 25 Ca 0.10 0.04 -0.00 0.00 0.02 0.00 0.00 57.03 57.18 2jdt h ASP 25 Cb 0.21 0.05 0.00 0.00 0.22 0.00 0.00 39.33 39.81 2jdt h ASP 25 CO -0.01 0.05 -0.04 0.15 -1.72 0.00 0.00 179.24 177.68 2jdt h PHE 26 N 0.17 -0.11 -0.85 4.55 3.57 -1.04 -3.12 116.94 120.11 2jdt h PHE 26 Ca 0.13 -0.00 0.11 0.00 3.53 0.00 0.00 57.97 61.73 2jdt h PHE 26 Cb 0.12 0.04 -0.06 0.00 2.79 0.00 0.00 35.95 38.83 2jdt h PHE 26 CO -0.16 0.13 0.55 -0.07 -2.23 0.00 0.00 178.31 176.54 2jdt h LEU 27 N -0.33 0.70 -0.47 0.59 3.38 -1.04 0.30 115.31 118.44 2jdt h LEU 27 Ca -0.01 0.03 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 2jdt h LEU 27 Cb 0.28 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 2jdt h LEU 27 CO 0.02 0.40 0.23 0.11 0.09 0.00 0.00 178.44 179.29 2jdt h LYS 28 N 0.77 0.68 -0.02 1.13 1.57 -1.44 -1.99 116.57 117.27 2jdt h LYS 28 Ca 0.40 -0.10 -0.16 0.00 -1.87 0.00 0.00 60.65 58.93 2jdt h LYS 28 Cb 0.51 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.68 2jdt h LYS 28 CO -0.17 0.57 -0.71 0.87 -0.57 0.00 0.00 179.45 179.44 2jdt h LYS 29 N 0.62 0.14 -0.43 3.15 1.57 -1.42 -2.58 116.57 117.61 2jdt h LYS 29 Ca 0.16 -0.11 -0.01 0.00 -1.87 0.00 0.00 60.65 58.82 2jdt h LYS 29 Cb 0.11 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.43 2jdt h LYS 29 CO -0.02 0.79 0.23 2.35 -0.57 0.00 0.00 179.45 182.23 2jdt h TRP 30 N 0.09 0.60 0.00 -1.35 2.91 -0.74 -2.18 115.95 115.29 2jdt h TRP 30 Ca -0.02 -0.02 0.00 0.00 1.13 0.00 0.00 58.89 59.99 2jdt h TRP 30 Cb 1.26 -0.19 0.00 0.00 -0.51 0.00 0.00 29.16 29.71 2jdt h TRP 30 CO 0.02 0.47 -0.30 0.93 -1.03 0.00 0.00 178.44 178.53 2jdt h GLU 31 N 0.57 0.00 -2.05 2.65 4.39 -1.39 -3.37 114.58 115.38 2jdt h GLU 31 Ca 0.15 0.00 -0.55 0.00 0.34 0.00 0.00 59.36 59.30 2jdt h GLU 31 Cb 0.07 0.00 -0.40 0.00 -0.10 0.00 0.00 28.75 28.32 2jdt h GLU 31 CO -0.02 0.00 -1.02 -1.71 -1.16 0.00 0.00 179.01 175.10 2jdt n ASN 32 N -2.67 1.16 -4.77 1.42 2.85 -0.97 -5.11 115.26 107.17 2jdt n ASN 32 Ca 0.03 -2.94 -0.40 0.00 -0.11 0.00 0.00 54.58 51.16 2jdt n ASN 32 Cb 0.50 -0.64 0.02 0.00 1.24 0.00 0.00 39.78 40.90 2jdt n ASN 32 CO 0.00 0.00 0.00 -2.84 -2.11 0.00 0.00 177.26 172.31 2jdt s PRO 33 N -1.81 3.73 0.43 1.20 0.02 -0.83 -4.74 135.00 132.99 2jdt s PRO 33 Ca 0.38 2.44 -0.25 0.00 0.02 0.00 0.00 61.00 63.59 2jdt s PRO 33 Cb 0.21 -2.69 -0.08 0.00 0.02 0.00 0.00 34.50 31.96 2jdt s PRO 33 CO -0.09 -0.79 1.31 0.00 -0.33 0.00 0.00 177.00 177.10 2jdt s ALA 34 N -1.19 3.18 -0.12 -1.55 0.00 -1.26 -5.02 121.76 115.79 2jdt s ALA 34 Ca 0.60 1.25 -0.10 0.00 0.00 0.00 0.00 51.96 53.71 2jdt s ALA 34 Cb -0.44 -3.50 0.04 0.00 0.00 0.00 0.00 23.12 19.21 2jdt s ALA 34 CO 0.57 -0.93 0.31 -1.14 0.00 0.00 0.00 175.76 174.58 2jdt s GLN 35 N -2.40 0.34 -0.98 0.00 0.74 -1.26 -4.98 119.66 111.12 2jdt s GLN 35 Ca 0.60 0.49 -0.02 0.00 0.05 0.00 0.00 55.36 56.48 2jdt s GLN 35 Cb -0.38 0.10 -0.02 0.00 1.10 0.00 0.00 33.01 33.81 2jdt s GLN 35 CO 0.48 -0.08 0.83 -1.71 -0.55 0.00 0.00 175.29 174.26 2jdt n ASN 36 N 3.30 -3.24 -0.93 6.67 5.15 -1.15 -4.93 115.26 120.12 2jdt n ASN 36 Ca -0.16 -0.55 0.11 0.00 -0.60 0.00 0.00 54.58 53.38 2jdt n ASN 36 Cb 0.57 -4.46 0.12 0.00 -0.53 0.00 0.00 39.78 35.48 2jdt n ASN 36 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 2jdt n THR 37 N -3.45 0.13 -3.27 -0.44 -2.24 -0.58 -4.96 114.28 99.48 2jdt n THR 37 Ca -0.19 -0.57 -0.01 0.00 -2.27 0.00 0.00 64.05 61.01 2jdt n THR 37 Cb 0.63 1.33 0.00 0.00 -2.10 0.00 0.00 70.33 70.19 2jdt n THR 37 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2jdt n ALA 38 N 1.27 -0.18 -3.04 6.98 0.00 -1.25 -4.89 120.51 119.39 2jdt n ALA 38 Ca 0.14 -0.19 -0.11 0.00 0.00 0.00 0.00 53.44 53.28 2jdt n ALA 38 Cb 0.56 0.15 -0.09 0.00 0.00 0.00 0.00 19.45 20.07 2jdt n ALA 38 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 2jdt s HIS 39 N -7.05 -0.02 0.33 0.00 2.46 -1.26 -4.76 115.29 104.99 2jdt s HIS 39 Ca 0.03 -0.08 0.05 0.00 0.47 0.00 0.00 55.06 55.52 2jdt s HIS 39 Cb -0.01 0.00 0.67 0.00 -0.13 0.00 0.00 32.58 33.12 2jdt s HIS 39 CO 0.02 -0.38 1.89 1.25 -2.47 0.00 0.00 174.74 175.06 2jdt h LEU 40 N 3.81 0.78 0.00 8.88 5.85 -1.96 -2.04 115.31 130.63 2jdt h LEU 40 Ca -0.31 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.43 2jdt h LEU 40 Cb 1.19 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 42.08 2jdt h LEU 40 CO 0.43 0.45 0.00 -0.90 -0.34 0.00 0.00 178.44 178.09 2jdt n ASP 41 N -4.53 0.00 0.00 1.25 5.68 -1.26 -2.07 116.55 115.62 2jdt n ASP 41 Ca 0.15 -0.00 0.13 0.00 -0.50 0.00 0.00 54.79 54.57 2jdt n ASP 41 Cb 0.32 -0.29 0.70 0.00 -1.14 0.00 0.00 41.12 40.71 2jdt n ASP 41 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2jdt n GLN 42 N -1.29 0.45 -4.62 0.11 6.02 -0.77 -4.85 117.38 112.43 2jdt n GLN 42 Ca 0.10 0.03 -0.23 0.00 -0.01 0.00 0.00 57.00 56.88 2jdt n GLN 42 Cb 0.16 -1.50 -0.14 0.00 1.02 0.00 0.00 30.24 29.78 2jdt n GLN 42 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 2jdt s PHE 43 N -2.49 1.52 -0.18 1.08 0.40 -0.88 -1.81 117.98 115.62 2jdt s PHE 43 Ca 0.28 -0.33 -0.09 0.00 -0.60 0.00 0.00 56.93 56.19 2jdt s PHE 43 Cb 0.18 -0.93 -0.05 0.00 0.51 0.00 0.00 43.02 42.73 2jdt s PHE 43 CO 0.40 0.03 0.13 -2.00 0.70 0.00 0.00 175.22 174.48 2jdt s GLU 44 N -0.85 3.97 -0.18 0.44 2.12 0.47 -4.91 118.70 119.76 2jdt s GLU 44 Ca 0.05 -0.20 -0.17 0.00 0.36 0.00 0.00 54.97 55.02 2jdt s GLU 44 Cb -0.08 -3.35 -0.04 0.00 0.26 0.00 0.00 34.13 30.93 2jdt s GLU 44 CO 0.01 0.44 0.44 1.03 -0.54 0.00 0.00 175.26 176.64 2jdt s ARG 45 N -0.03 4.22 -0.08 4.30 0.52 -1.26 -0.13 118.95 126.49 2jdt s ARG 45 Ca 0.10 0.31 -0.10 0.00 -0.52 0.00 0.00 55.73 55.52 2jdt s ARG 45 Cb -0.11 -3.51 -0.03 0.00 0.52 0.00 0.00 34.95 31.81 2jdt s ARG 45 CO -0.00 -0.01 -0.19 -0.89 0.02 0.00 0.00 175.30 174.23 2jdt n ILE 46 N 4.20 1.03 -3.68 1.52 2.08 -0.14 -4.98 119.36 119.39 2jdt n ILE 46 Ca -0.07 0.25 -0.14 0.00 0.56 0.00 0.00 62.75 63.35 2jdt n ILE 46 Cb 0.51 -1.93 -0.08 0.00 -0.75 0.00 0.00 39.64 37.38 2jdt n ILE 46 CO 0.00 0.00 0.00 -0.75 0.56 0.00 0.00 176.55 176.36 2jdt s LYS 47 N -2.21 0.67 -0.10 0.38 2.20 -1.13 -4.97 119.74 114.59 2jdt s LYS 47 Ca -0.15 0.63 -0.29 0.00 -0.36 0.00 0.00 55.97 55.79 2jdt s LYS 47 Cb 0.02 0.32 -0.04 0.00 -1.51 0.00 0.00 37.83 36.62 2jdt s LYS 47 CO 0.23 -0.11 1.55 0.99 -0.36 0.00 0.00 175.35 177.65 2jdt s THR 48 N 0.03 3.78 -1.73 3.43 2.01 -1.26 0.10 115.64 121.99 2jdt s THR 48 Ca -0.02 0.93 0.22 0.00 0.31 0.00 0.00 61.69 63.14 2jdt s THR 48 Cb -0.04 -3.62 -0.06 0.00 0.01 0.00 0.00 72.50 68.79 2jdt s THR 48 CO 0.02 -0.10 1.05 0.18 -0.69 0.00 0.00 174.62 175.08 2jdt n LEU 49 N 7.11 1.71 0.00 4.42 4.77 0.34 -4.39 117.00 130.95 2jdt n LEU 49 Ca 0.16 -0.67 0.00 0.00 -0.03 0.00 0.00 56.01 55.48 2jdt n LEU 49 Cb 0.43 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.52 2jdt n LEU 49 CO 0.61 0.34 0.00 0.61 -1.33 0.00 0.00 177.39 177.61 2jdt n GLY 50 N 1.44 1.21 3.11 -0.72 0.00 -1.13 -4.84 105.19 104.25 2jdt n GLY 50 Ca 0.08 -0.37 -0.14 0.00 0.00 0.00 0.00 46.02 45.58 2jdt n GLY 50 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2jdt s THR 51 N -2.00 0.73 0.18 2.61 -4.23 -1.26 -0.82 115.64 110.84 2jdt s THR 51 Ca 0.00 -1.23 0.03 0.00 -1.18 0.00 0.00 61.69 59.32 2jdt s THR 51 Cb 0.00 -0.84 -0.01 0.00 1.34 0.00 0.00 72.50 72.98 2jdt s THR 51 CO 0.00 -0.38 0.17 0.61 -0.54 0.00 0.00 174.62 174.48 2jdt n GLY 52 N 1.27 3.31 0.31 3.99 0.00 0.15 -4.97 105.19 109.25 2jdt n GLY 52 Ca -0.21 -1.75 -0.05 0.00 0.00 0.00 0.00 46.02 44.01 2jdt n GLY 52 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2jdt h SER 53 N 1.10 0.90 -0.09 1.61 0.02 -2.02 -3.21 113.55 111.86 2jdt h SER 53 Ca -0.13 -0.18 0.00 0.00 -0.84 0.00 0.00 61.79 60.64 2jdt h SER 53 Cb 0.65 -0.24 0.00 0.00 0.14 0.00 0.00 62.40 62.95 2jdt h SER 53 CO 0.19 0.88 0.00 2.22 -1.14 0.00 0.00 176.83 178.98 2jdt n PHE 54 N -4.25 0.12 -3.80 3.45 -1.74 -1.26 -4.97 117.46 105.02 2jdt n PHE 54 Ca 0.04 -0.36 0.00 0.00 -0.56 0.00 0.00 57.45 56.58 2jdt n PHE 54 Cb 0.25 -0.03 0.01 0.00 1.52 0.00 0.00 39.48 41.23 2jdt n PHE 54 CO 0.00 0.00 0.00 0.41 -0.56 0.00 0.00 176.76 176.61 2jdt n GLY 55 N -0.02 0.68 3.17 4.97 0.00 -1.21 0.01 105.19 112.78 2jdt n GLY 55 Ca 0.04 -0.95 -0.10 0.00 0.00 0.00 0.00 46.02 45.01 2jdt n GLY 55 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2jdt s ARG 56 N -2.01 0.95 -0.10 1.61 0.52 -0.43 0.34 118.95 119.83 2jdt s ARG 56 Ca 0.10 -1.45 0.04 0.00 -0.52 0.00 0.00 55.73 53.91 2jdt s ARG 56 Cb -0.01 0.13 -0.00 0.00 0.52 0.00 0.00 34.95 35.59 2jdt s ARG 56 CO 0.01 -0.22 -0.24 0.08 0.02 0.00 0.00 175.30 174.95 2jdt s VAL 57 N -3.95 2.08 0.02 3.52 1.01 -0.01 0.40 120.40 123.48 2jdt s VAL 57 Ca 0.23 -1.01 0.08 0.00 0.00 0.00 0.00 61.98 61.27 2jdt s VAL 57 Cb 0.07 -1.79 -0.03 0.00 0.00 0.00 0.00 36.38 34.64 2jdt s VAL 57 CO 0.01 0.56 -0.23 -0.04 0.00 0.00 0.00 175.10 175.40 2jdt s MET 58 N 0.31 2.02 0.24 2.72 -1.94 -0.21 -0.51 119.30 121.94 2jdt s MET 58 Ca -0.18 -0.99 -0.30 0.00 -1.71 0.00 0.00 55.69 52.52 2jdt s MET 58 Cb -0.18 -2.09 -0.10 0.00 2.01 0.00 0.00 34.83 34.48 2jdt s MET 58 CO 0.09 0.54 1.37 -1.17 -0.01 0.00 0.00 175.02 175.84 2jdt s LEU 59 N -1.07 4.41 0.09 -0.03 2.96 0.28 -0.31 118.68 125.01 2jdt s LEU 59 Ca 0.12 2.55 0.02 0.00 -0.22 0.00 0.00 54.13 56.60 2jdt s LEU 59 Cb -0.10 -3.62 -0.04 0.00 0.50 0.00 0.00 46.19 42.93 2jdt s LEU 59 CO 0.02 -0.60 -0.06 0.68 -1.32 0.00 0.00 176.35 175.06 2jdt s VAL 60 N -0.09 0.65 -0.18 1.68 -7.23 0.12 -0.96 120.40 114.39 2jdt s VAL 60 Ca 0.57 -1.88 -0.04 0.00 -1.81 0.00 0.00 61.98 58.82 2jdt s VAL 60 Cb -0.39 -1.61 -0.02 0.00 0.56 0.00 0.00 36.38 34.92 2jdt s VAL 60 CO 0.42 -0.85 -0.04 -0.75 -0.31 0.00 0.00 175.10 173.56 2jdt s LYS 61 N -3.71 3.55 -0.37 4.82 2.20 0.82 -1.10 119.74 125.95 2jdt s LYS 61 Ca 0.10 -0.57 -0.29 0.00 -0.36 0.00 0.00 55.97 54.86 2jdt s LYS 61 Cb 0.05 -2.94 0.01 0.00 -1.51 0.00 0.00 37.83 33.44 2jdt s LYS 61 CO -0.05 0.08 1.28 -1.58 -0.36 0.00 0.00 175.35 174.73 2jdt s HIS 62 N 0.77 2.66 0.47 4.03 5.65 0.13 -0.39 115.29 128.61 2jdt s HIS 62 Ca -0.02 0.81 0.14 0.00 0.25 0.00 0.00 55.06 56.24 2jdt s HIS 62 Cb -0.15 -4.12 1.10 0.00 -1.18 0.00 0.00 32.58 28.24 2jdt s HIS 62 CO 0.02 -1.63 2.07 0.52 -0.65 0.00 0.00 174.74 175.07 2jdt h MET 63 N 9.62 0.07 0.00 2.88 0.00 -1.67 0.61 114.93 126.44 2jdt h MET 63 Ca -0.25 -0.01 -0.21 0.00 0.00 0.00 0.00 59.70 59.23 2jdt h MET 63 Cb 1.09 -0.01 -0.03 0.00 0.00 0.00 0.00 31.60 32.65 2jdt h MET 63 CO 1.07 0.13 -1.00 1.49 0.00 0.00 0.00 176.91 178.59 2jdt h GLU 64 N 0.07 0.01 0.00 1.72 4.57 -1.92 -3.27 114.58 115.76 2jdt h GLU 64 Ca 0.02 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 2jdt h GLU 64 Cb 0.14 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 28.74 2jdt h GLU 64 CO 0.01 1.00 -1.61 0.25 -1.18 0.00 0.00 179.01 177.48 2jdt n THR 65 N -3.36 0.00 -1.30 0.32 -2.24 -1.12 -4.99 114.28 101.59 2jdt n THR 65 Ca -0.00 -0.32 -0.10 0.00 -2.27 0.00 0.00 64.05 61.35 2jdt n THR 65 Cb 0.94 0.21 -0.04 0.00 -2.10 0.00 0.00 70.33 69.33 2jdt n THR 65 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2jdt n GLY 66 N 1.67 1.07 3.78 3.38 0.00 0.21 -5.00 105.19 110.29 2jdt n GLY 66 Ca -0.02 -0.11 -0.37 0.00 0.00 0.00 0.00 46.02 45.51 2jdt n GLY 66 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2jdt s ASN 67 N -2.49 6.95 -0.03 1.61 0.01 -1.22 -4.80 114.94 114.97 2jdt s ASN 67 Ca 0.00 2.06 -0.14 0.00 -0.71 0.00 0.00 52.86 54.07 2jdt s ASN 67 Cb 0.00 -2.59 -0.05 0.00 0.41 0.00 0.00 41.25 39.01 2jdt s ASN 67 CO 0.00 -0.36 0.36 -1.00 -1.51 0.00 0.00 177.10 174.60 2jdt s HIS 68 N -1.54 3.68 0.07 2.20 3.76 -1.26 0.18 115.29 122.37 2jdt s HIS 68 Ca 0.54 0.89 -0.00 0.00 -0.15 0.00 0.00 55.06 56.34 2jdt s HIS 68 Cb -0.24 -2.26 -0.04 0.00 1.11 0.00 0.00 32.58 31.16 2jdt s HIS 68 CO 0.30 0.61 -0.03 0.71 -0.85 0.00 0.00 174.74 175.48 2jdt s TYR 69 N -0.87 0.63 -0.37 1.40 2.02 -0.26 -4.19 117.35 115.71 2jdt s TYR 69 Ca 0.22 -1.06 -0.12 0.00 -0.37 0.00 0.00 57.07 55.74 2jdt s TYR 69 Cb -0.16 -0.43 0.01 0.00 -0.40 0.00 0.00 41.96 40.99 2jdt s TYR 69 CO 0.11 -0.35 0.23 0.00 -1.57 0.00 0.00 175.55 173.98 2jdt s ALA 70 N -3.87 3.37 -0.36 3.71 0.00 0.18 -0.71 121.76 124.08 2jdt s ALA 70 Ca 0.10 -1.63 -0.16 0.00 0.00 0.00 0.00 51.96 50.27 2jdt s ALA 70 Cb 0.07 -2.67 -0.00 0.00 0.00 0.00 0.00 23.12 20.53 2jdt s ALA 70 CO -0.08 -1.29 0.41 1.41 0.00 0.00 0.00 175.76 176.22 2jdt s MET 71 N 1.62 3.47 -0.20 0.00 1.75 0.57 -0.87 119.30 125.65 2jdt s MET 71 Ca 0.04 -0.44 -0.25 0.00 -1.25 0.00 0.00 55.69 53.79 2jdt s MET 71 Cb -0.19 -3.84 -0.01 0.00 2.84 0.00 0.00 34.83 33.63 2jdt s MET 71 CO 0.08 -0.62 0.82 0.21 -0.65 0.00 0.00 175.02 174.86 2jdt s LYS 72 N 2.12 4.25 -0.21 4.11 2.20 0.71 -1.04 119.74 131.89 2jdt s LYS 72 Ca 0.13 0.96 -0.02 0.00 -0.36 0.00 0.00 55.97 56.69 2jdt s LYS 72 Cb -0.16 -3.60 0.01 0.00 -1.51 0.00 0.00 37.83 32.56 2jdt s LYS 72 CO 0.12 -0.38 -0.11 0.42 -0.36 0.00 0.00 175.35 175.04 2jdt s ILE 73 N 2.36 2.82 -0.14 5.43 1.01 0.16 -1.44 121.20 131.41 2jdt s ILE 73 Ca 0.36 -0.71 -0.01 0.00 0.00 0.00 0.00 60.65 60.29 2jdt s ILE 73 Cb -0.16 -2.26 -0.02 0.00 0.01 0.00 0.00 42.46 40.03 2jdt s ILE 73 CO 0.10 0.45 -0.10 -0.76 0.00 0.00 0.00 174.94 174.64 2jdt s LEU 74 N 1.39 2.92 -0.53 2.97 1.43 0.10 -1.31 118.68 125.65 2jdt s LEU 74 Ca 0.05 -0.25 -0.28 0.00 -1.03 0.00 0.00 54.13 52.62 2jdt s LEU 74 Cb -0.14 -1.67 0.03 0.00 0.03 0.00 0.00 46.19 44.44 2jdt s LEU 74 CO -0.07 0.18 1.15 -0.62 0.23 0.00 0.00 176.35 177.21 2jdt s ASP 75 N 0.30 6.53 0.31 2.29 -1.08 0.10 -0.59 116.67 124.53 2jdt s ASP 75 Ca -0.08 0.24 0.07 0.00 -0.52 0.00 0.00 52.55 52.27 2jdt s ASP 75 Cb -0.15 -2.54 0.80 0.00 -1.46 0.00 0.00 42.92 39.57 2jdt s ASP 75 CO 0.05 -1.35 1.74 0.11 0.52 0.00 0.00 175.17 176.23 2jdt h LYS 76 N 9.38 0.60 -0.44 4.34 1.57 -1.77 -0.63 116.57 129.61 2jdt h LYS 76 Ca -0.24 -0.04 -0.10 0.00 -1.87 0.00 0.00 60.65 58.40 2jdt h LYS 76 Cb 1.06 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 33.22 2jdt h LYS 76 CO 1.15 0.40 -0.11 1.96 -0.57 0.00 0.00 179.45 182.27 2jdt h GLN 77 N 0.62 0.86 -0.46 3.15 4.20 -1.91 -1.21 115.11 120.36 2jdt h GLN 77 Ca 0.60 -0.33 -0.12 0.00 0.06 0.00 0.00 58.65 58.87 2jdt h GLN 77 Cb 1.07 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 28.79 2jdt h GLN 77 CO -0.45 0.97 -0.18 0.87 -0.67 0.00 0.00 178.83 179.37 2jdt h LYS 78 N 0.69 0.89 -0.42 1.46 1.57 -1.76 -0.19 116.57 118.82 2jdt h LYS 78 Ca 0.11 -0.35 0.07 0.00 -1.87 0.00 0.00 60.65 58.61 2jdt h LYS 78 Cb 0.65 -0.05 -0.06 0.00 0.08 0.00 0.00 32.23 32.86 2jdt h LYS 78 CO 0.04 0.99 0.08 0.28 -0.57 0.00 0.00 179.45 180.28 2jdt h VAL 79 N 0.78 0.78 -0.60 0.50 2.07 -0.88 -1.72 116.25 117.18 2jdt h VAL 79 Ca 0.11 -0.07 -0.07 0.00 0.82 0.00 0.00 66.70 67.49 2jdt h VAL 79 Cb 0.71 0.54 -0.02 0.00 -1.52 0.00 0.00 31.29 31.00 2jdt h VAL 79 CO 0.05 0.04 0.09 0.58 0.02 0.00 0.00 177.57 178.36 2jdt h VAL 80 N 0.21 1.26 -0.92 2.57 2.07 -0.98 -1.70 116.25 118.77 2jdt h VAL 80 Ca 0.21 -1.00 0.03 0.00 0.82 0.00 0.00 66.70 66.75 2jdt h VAL 80 Cb 0.25 0.74 -0.05 0.00 -1.52 0.00 0.00 31.29 30.72 2jdt h VAL 80 CO -0.27 0.37 0.61 0.11 0.02 0.00 0.00 177.57 178.40 2jdt h LYS 81 N 0.90 1.14 -0.30 1.57 1.57 -0.79 -2.10 116.57 118.56 2jdt h LYS 81 Ca 0.18 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.89 2jdt h LYS 81 Cb 0.43 -0.26 0.00 0.00 0.08 0.00 0.00 32.23 32.48 2jdt h LYS 81 CO 0.01 0.76 0.00 1.28 -0.57 0.00 0.00 179.45 180.93 2jdt n LEU 82 N -4.43 1.84 -3.42 2.94 4.77 -0.67 -4.93 117.00 113.10 2jdt n LEU 82 Ca 0.12 -0.88 -0.24 0.00 -0.03 0.00 0.00 56.01 54.98 2jdt n LEU 82 Cb 0.08 -0.20 0.06 0.00 -2.33 0.00 0.00 43.42 41.03 2jdt n LEU 82 CO 0.35 0.44 0.14 0.29 -1.33 0.00 0.00 177.39 177.28 2jdt n LYS 83 N 0.48 -6.59 -0.54 3.23 5.02 -0.79 -4.90 118.16 114.06 2jdt n LYS 83 Ca 0.13 0.83 0.06 0.00 -2.02 0.00 0.00 58.31 57.31 2jdt n LYS 83 Cb 0.31 -5.80 0.25 0.00 -0.02 0.00 0.00 35.03 29.77 2jdt n LYS 83 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 2jdt n GLN 84 N -4.61 2.81 0.41 1.97 1.13 -0.68 -4.72 117.38 113.68 2jdt n GLN 84 Ca -0.03 -2.92 -0.16 0.00 -1.94 0.00 0.00 57.00 51.95 2jdt n GLN 84 Cb 0.58 -1.87 -0.08 0.00 0.11 0.00 0.00 30.24 28.98 2jdt n GLN 84 CO 0.00 0.00 0.00 0.82 -1.44 0.00 0.00 177.06 176.44 2jdt h ILE 85 N 1.73 0.00 -0.82 5.09 2.04 -1.91 -1.00 117.51 122.64 2jdt h ILE 85 Ca 0.05 -0.16 0.01 0.00 1.00 0.00 0.00 64.86 65.76 2jdt h ILE 85 Cb 1.54 0.00 -0.04 0.00 -0.74 0.00 0.00 36.82 37.58 2jdt h ILE 85 CO 0.29 0.00 0.53 -0.08 0.00 0.00 0.00 178.15 178.89 2jdt h GLU 86 N -1.22 1.08 -0.63 2.37 4.57 -1.95 -0.78 114.58 118.02 2jdt h GLU 86 Ca -0.11 -0.07 -0.01 0.00 -1.18 0.00 0.00 59.36 57.99 2jdt h GLU 86 Cb 0.81 -0.24 -0.03 0.00 -0.16 0.00 0.00 28.75 29.13 2jdt h GLU 86 CO 0.18 0.72 0.35 0.45 -1.18 0.00 0.00 179.01 179.54 2jdt h HIS 87 N 1.11 0.84 0.03 0.92 3.86 -1.84 0.68 115.15 120.75 2jdt h HIS 87 Ca 0.30 -0.01 -0.27 0.00 -1.16 0.00 0.00 60.37 59.23 2jdt h HIS 87 Cb -0.11 -0.27 0.02 0.00 1.06 0.00 0.00 27.41 28.11 2jdt h HIS 87 CO 0.00 0.58 -1.08 1.15 0.86 0.00 0.00 177.93 179.44 2jdt h THR 88 N 0.87 1.28 -0.80 2.45 2.02 -0.22 -1.27 112.91 117.24 2jdt h THR 88 Ca 0.23 -2.29 0.00 0.00 0.77 0.00 0.00 66.41 65.12 2jdt h THR 88 Cb 0.01 2.45 -0.04 0.00 -1.74 0.00 0.00 68.15 68.83 2jdt h THR 88 CO -0.04 0.70 0.50 -0.07 0.37 0.00 0.00 175.52 176.99 2jdt h LEU 89 N 0.37 0.94 -0.37 2.58 3.38 -1.03 -2.65 115.31 118.53 2jdt h LEU 89 Ca -0.14 -0.05 0.06 0.00 0.09 0.00 0.00 57.88 57.84 2jdt h LEU 89 Cb 1.74 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 42.20 2jdt h LEU 89 CO 0.21 0.71 0.06 0.78 0.09 0.00 0.00 178.44 180.29 2jdt h ASN 90 N 1.09 -0.03 0.05 -0.43 2.35 -0.69 -1.50 115.58 116.41 2jdt h ASN 90 Ca 0.29 0.07 0.02 0.00 -0.55 0.00 0.00 56.30 56.13 2jdt h ASN 90 Cb -0.08 0.10 -0.03 0.00 0.05 0.00 0.00 38.32 38.36 2jdt h ASN 90 CO -0.06 0.02 -0.19 -0.08 -1.65 0.00 0.00 177.43 175.48 2jdt h GLU 91 N 0.17 -0.32 -0.21 0.81 4.81 -0.95 0.30 114.58 119.19 2jdt h GLU 91 Ca 0.18 0.02 -0.05 0.00 -0.13 0.00 0.00 59.36 59.38 2jdt h GLU 91 Cb 0.22 0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.66 2jdt h GLU 91 CO -0.25 -0.21 -0.07 -0.22 -0.73 0.00 0.00 179.01 177.53 2jdt h LYS 92 N -0.33 0.43 -0.55 1.92 3.11 -1.46 -1.14 116.57 118.55 2jdt h LYS 92 Ca 0.04 -0.17 -0.02 0.00 -2.81 0.00 0.00 60.65 57.69 2jdt h LYS 92 Cb 0.38 -0.02 -0.03 0.00 -1.00 0.00 0.00 32.23 31.56 2jdt h LYS 92 CO -0.14 0.69 0.26 -0.09 -2.81 0.00 0.00 179.45 177.36 2jdt h ARG 93 N 0.15 0.79 -0.16 1.90 2.43 -1.20 -2.00 114.38 116.29 2jdt h ARG 93 Ca 0.05 -0.12 -0.04 0.00 -0.81 0.00 0.00 59.98 59.07 2jdt h ARG 93 Cb 0.54 -0.14 -0.00 0.00 -0.42 0.00 0.00 29.97 29.95 2jdt h ARG 93 CO 0.03 0.65 -0.04 0.82 -1.51 0.00 0.00 179.97 179.91 2jdt h ILE 94 N 0.74 1.29 -0.53 1.20 2.04 -0.93 -3.25 117.51 118.08 2jdt h ILE 94 Ca 0.19 -1.01 -0.08 0.00 1.00 0.00 0.00 64.86 64.95 2jdt h ILE 94 Cb 0.12 1.64 -0.02 0.00 -0.74 0.00 0.00 36.82 37.82 2jdt h ILE 94 CO -0.02 0.30 0.00 -0.07 0.00 0.00 0.00 178.15 178.36 2jdt h LEU 95 N 0.01 0.87 -2.17 1.44 3.38 -0.98 -1.24 115.31 116.62 2jdt h LEU 95 Ca 0.04 -0.22 -0.00 0.00 0.09 0.00 0.00 57.88 57.79 2jdt h LEU 95 Cb 0.48 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 41.00 2jdt h LEU 95 CO 0.02 0.93 -0.01 0.06 0.09 0.00 0.00 178.44 179.52 2jdt h GLN 96 N 0.83 0.00 0.00 1.13 -0.00 -1.46 -3.19 115.11 112.41 2jdt h GLN 96 Ca 0.16 0.00 -0.17 0.00 -0.00 0.00 0.00 58.65 58.64 2jdt h GLN 96 Cb 0.49 0.00 -0.03 0.00 -0.00 0.00 0.00 27.48 27.94 2jdt h GLN 96 CO 0.02 0.01 -1.93 0.00 -0.00 0.00 0.00 178.83 176.93 2jdt n ALA 97 N -2.10 2.13 -2.08 0.06 0.00 -0.51 -4.93 120.51 113.09 2jdt n ALA 97 Ca -0.01 -0.79 -0.25 0.00 0.00 0.00 0.00 53.44 52.39 2jdt n ALA 97 Cb 0.20 -0.63 0.04 0.00 0.00 0.00 0.00 19.45 19.05 2jdt n ALA 97 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 2jdt s VAL 98 N -3.01 3.38 -0.30 0.00 -7.23 -0.96 -4.43 120.40 107.85 2jdt s VAL 98 Ca -0.07 -0.17 -0.03 0.00 -1.81 0.00 0.00 61.98 59.90 2jdt s VAL 98 Cb 0.10 -3.34 0.19 0.00 0.56 0.00 0.00 36.38 33.89 2jdt s VAL 98 CO 0.85 -0.33 0.70 0.21 -0.31 0.00 0.00 175.10 176.23 2jdt s ASN 99 N -4.34 -1.19 -0.18 4.85 2.47 -1.26 -4.97 114.94 110.32 2jdt s ASN 99 Ca 0.54 0.68 -0.28 0.00 0.42 0.00 0.00 52.86 54.22 2jdt s ASN 99 Cb -0.10 1.97 0.11 0.00 -1.45 0.00 0.00 41.25 41.78 2jdt s ASN 99 CO 0.43 -0.22 0.91 0.12 -3.72 0.00 0.00 177.10 174.62 2jdt s PHE 100 N 2.88 -0.50 0.50 0.43 5.36 -1.26 -5.06 117.98 120.33 2jdt s PHE 100 Ca 0.16 1.01 0.28 0.00 -0.96 0.00 0.00 56.93 57.41 2jdt s PHE 100 Cb -0.13 0.40 1.60 0.00 -0.34 0.00 0.00 43.02 44.55 2jdt s PHE 100 CO -0.19 -0.37 2.16 -1.35 -1.46 0.00 0.00 175.22 174.00 2jdt h PRO 101 N 3.32 0.00 -0.36 10.12 0.11 -1.97 -2.47 132.00 140.75 2jdt h PRO 101 Ca -0.24 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.87 2jdt h PRO 101 Cb 1.16 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.27 2jdt h PRO 101 CO 0.25 0.06 0.00 1.19 -0.21 0.00 0.00 178.00 179.29 2jdt n PHE 102 N -3.80 1.28 -4.59 0.65 3.72 -1.26 -4.87 117.46 108.59 2jdt n PHE 102 Ca -0.02 -0.82 -0.33 0.00 -0.05 0.00 0.00 57.45 56.22 2jdt n PHE 102 Cb 0.16 -0.37 -0.14 0.00 -0.94 0.00 0.00 39.48 38.19 2jdt n PHE 102 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 2jdt s LEU 103 N -2.76 2.87 0.28 4.37 1.43 -0.93 0.04 118.68 123.98 2jdt s LEU 103 Ca 0.46 -0.28 -0.29 0.00 -1.03 0.00 0.00 54.13 52.98 2jdt s LEU 103 Cb 0.36 -1.67 -0.10 0.00 0.03 0.00 0.00 46.19 44.81 2jdt s LEU 103 CO 0.11 0.15 1.38 0.42 0.23 0.00 0.00 176.35 178.64 2jdt s THR 104 N 0.47 2.70 0.06 5.49 -4.23 -0.67 -4.76 115.64 114.70 2jdt s THR 104 Ca -0.07 0.63 -0.25 0.00 -1.18 0.00 0.00 61.69 60.82 2jdt s THR 104 Cb -0.15 -3.40 -0.06 0.00 1.34 0.00 0.00 72.50 70.23 2jdt s THR 104 CO 0.04 0.12 0.77 -0.75 -0.54 0.00 0.00 174.62 174.26 2jdt s LYS 105 N -1.02 4.51 -0.42 3.99 2.20 -1.26 -4.90 119.74 122.84 2jdt s LYS 105 Ca 0.54 1.08 -0.25 0.00 -0.36 0.00 0.00 55.97 56.98 2jdt s LYS 105 Cb -0.41 -3.35 0.02 0.00 -1.51 0.00 0.00 37.83 32.58 2jdt s LYS 105 CO 0.48 0.32 0.90 -1.17 -0.36 0.00 0.00 175.35 175.52 2jdt s LEU 106 N -0.19 4.03 -0.07 5.43 2.96 -1.26 -1.17 118.68 128.41 2jdt s LEU 106 Ca 0.38 0.29 -0.11 0.00 -0.22 0.00 0.00 54.13 54.47 2jdt s LEU 106 Cb -0.21 -3.19 -0.29 0.00 0.50 0.00 0.00 46.19 43.01 2jdt s LEU 106 CO 0.23 -0.94 0.58 -0.33 -1.32 0.00 0.00 176.35 174.58 2jdt h GLU 107 N 8.80 0.34 -3.20 1.98 4.39 -0.70 -3.46 114.58 122.73 2jdt h GLU 107 Ca -0.24 -0.58 -0.13 0.00 0.34 0.00 0.00 59.36 58.75 2jdt h GLU 107 Cb 1.08 0.22 -0.20 0.00 -0.10 0.00 0.00 28.75 29.74 2jdt h GLU 107 CO 0.99 1.28 -0.35 -0.06 -1.16 0.00 0.00 179.01 179.71 2jdt s PHE 108 N -2.55 -0.11 0.03 4.33 0.08 -1.05 -5.03 117.98 113.68 2jdt s PHE 108 Ca -0.18 0.13 0.01 0.00 0.12 0.00 0.00 56.93 57.01 2jdt s PHE 108 Cb 0.05 0.05 -0.02 0.00 -0.57 0.00 0.00 43.02 42.53 2jdt s PHE 108 CO 0.82 -0.35 -0.05 -1.54 -0.10 0.00 0.00 175.22 174.00 2jdt s SER 109 N -1.33 0.50 0.31 1.36 1.04 -1.26 -0.49 113.70 113.83 2jdt s SER 109 Ca -0.14 -0.50 -0.18 0.00 0.48 0.00 0.00 55.95 55.61 2jdt s SER 109 Cb -0.06 0.07 0.06 0.00 0.10 0.00 0.00 66.02 66.19 2jdt s SER 109 CO 0.03 -0.25 0.89 0.72 0.98 0.00 0.00 173.24 175.62 2jdt s PHE 110 N -1.37 0.11 0.08 5.02 -0.71 -0.95 -1.52 117.98 118.64 2jdt s PHE 110 Ca -0.13 -0.68 -0.10 0.00 -1.04 0.00 0.00 56.93 54.97 2jdt s PHE 110 Cb -0.10 0.79 0.01 0.00 -1.21 0.00 0.00 43.02 42.51 2jdt s PHE 110 CO -0.00 -1.33 0.23 -1.59 -1.34 0.00 0.00 175.22 171.19 2jdt s LYS 111 N -2.20 0.83 0.00 1.99 -2.85 -1.26 -0.87 119.74 115.37 2jdt s LYS 111 Ca 0.18 -0.80 0.00 0.00 -1.00 0.00 0.00 55.97 54.36 2jdt s LYS 111 Cb -0.04 0.34 0.00 0.00 -2.06 0.00 0.00 37.83 36.07 2jdt s LYS 111 CO 0.09 -0.27 0.00 -0.40 0.10 0.00 0.00 175.35 174.87 2jdt n ASP 112 N 0.18 0.95 -0.33 0.03 5.68 -0.53 -5.01 116.55 117.52 2jdt n ASP 112 Ca -0.16 -0.63 0.14 0.00 -0.50 0.00 0.00 54.79 53.63 2jdt n ASP 112 Cb 0.61 0.00 0.36 0.00 -1.14 0.00 0.00 41.12 40.95 2jdt n ASP 112 CO 0.00 0.00 0.00 0.78 -1.33 0.00 0.00 177.20 176.65 2jdt h ASN 113 N 0.00 0.72 0.00 -1.12 -0.26 -1.93 -3.29 115.58 109.69 2jdt h ASN 113 Ca 0.00 0.08 -0.31 0.00 -0.56 0.00 0.00 56.30 55.51 2jdt h ASN 113 Cb 0.00 -0.05 -0.06 0.00 -1.06 0.00 0.00 38.32 37.15 2jdt h ASN 113 CO 0.00 0.28 -2.16 -1.20 -1.06 0.00 0.00 177.43 173.29 2jdt n SER 114 N -4.69 2.17 -4.37 5.81 7.64 -1.26 -1.10 113.62 117.82 2jdt n SER 114 Ca 0.22 -0.09 -0.19 0.00 1.01 0.00 0.00 58.87 59.82 2jdt n SER 114 Cb 0.58 -0.12 -0.10 0.00 -1.01 0.00 0.00 64.21 63.56 2jdt n SER 114 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 2jdt s ASN 115 N -5.82 2.46 -0.02 6.43 0.01 -1.24 -2.39 114.94 114.36 2jdt s ASN 115 Ca -0.24 -1.13 0.02 0.00 -0.71 0.00 0.00 52.86 50.80 2jdt s ASN 115 Cb 0.07 -0.11 -0.03 0.00 0.41 0.00 0.00 41.25 41.58 2jdt s ASN 115 CO 0.51 -0.32 -0.05 -0.76 -1.51 0.00 0.00 177.10 174.97 2jdt s LEU 116 N -3.36 3.28 -0.04 0.60 1.43 0.25 -1.45 118.68 119.39 2jdt s LEU 116 Ca 0.26 -0.06 0.03 0.00 -1.03 0.00 0.00 54.13 53.33 2jdt s LEU 116 Cb 0.03 -1.83 0.00 0.00 0.03 0.00 0.00 46.19 44.41 2jdt s LEU 116 CO 0.09 0.31 -0.14 -0.31 0.23 0.00 0.00 176.35 176.53 2jdt s TYR 117 N -0.97 1.42 -0.10 0.29 1.51 -0.05 0.02 117.35 119.48 2jdt s TYR 117 Ca 0.16 -0.41 -0.01 0.00 -1.01 0.00 0.00 57.07 55.81 2jdt s TYR 117 Cb -0.11 -0.98 0.03 0.00 -0.11 0.00 0.00 41.96 40.78 2jdt s TYR 117 CO 0.06 -0.16 -0.06 -1.64 -1.11 0.00 0.00 175.55 172.65 2jdt s MET 118 N 0.16 1.31 -0.31 -0.62 -1.94 -0.52 -2.23 119.30 115.16 2jdt s MET 118 Ca -0.05 -0.17 -0.10 0.00 -1.71 0.00 0.00 55.69 53.66 2jdt s MET 118 Cb -0.11 -1.45 -0.01 0.00 2.01 0.00 0.00 34.83 35.27 2jdt s MET 118 CO 0.02 -0.28 0.15 0.08 -0.01 0.00 0.00 175.02 174.98 2jdt s VAL 119 N 1.77 4.62 0.27 -6.03 1.01 0.36 -0.20 120.40 122.19 2jdt s VAL 119 Ca 0.05 -0.38 0.09 0.00 0.00 0.00 0.00 61.98 61.75 2jdt s VAL 119 Cb -0.13 -3.33 -0.05 0.00 0.00 0.00 0.00 36.38 32.87 2jdt s VAL 119 CO -0.08 0.09 -0.14 -0.04 0.00 0.00 0.00 175.10 174.94 2jdt s MET 120 N 1.62 1.58 0.17 2.72 -1.94 -0.05 0.08 119.30 123.48 2jdt s MET 120 Ca 0.05 -1.75 -0.32 0.00 -1.71 0.00 0.00 55.69 51.96 2jdt s MET 120 Cb -0.17 -1.46 -0.11 0.00 2.01 0.00 0.00 34.83 35.10 2jdt s MET 120 CO 0.06 0.20 1.77 -2.00 -0.01 0.00 0.00 175.02 175.04 2jdt s GLU 121 N -3.61 4.13 0.07 2.03 2.12 -0.31 -0.65 118.70 122.49 2jdt s GLU 121 Ca 0.28 2.60 -0.25 0.00 0.36 0.00 0.00 54.97 57.97 2jdt s GLU 121 Cb -0.01 -3.31 -0.06 0.00 0.26 0.00 0.00 34.13 31.01 2jdt s GLU 121 CO 0.12 -0.79 0.75 -0.47 -0.54 0.00 0.00 175.26 174.33 2jdt s TYR 122 N 1.88 3.78 -0.44 5.30 5.04 -1.26 -4.59 117.35 127.06 2jdt s TYR 122 Ca 0.78 1.49 0.02 0.00 -2.44 0.00 0.00 57.07 56.92 2jdt s TYR 122 Cb -0.48 -2.78 0.12 0.00 0.35 0.00 0.00 41.96 39.17 2jdt s TYR 122 CO 0.34 0.35 0.19 0.00 -1.34 0.00 0.00 175.55 175.09 2jdt s ALA 123 N -0.39 3.16 -0.31 3.97 0.00 -1.26 -4.98 121.76 121.95 2jdt s ALA 123 Ca 0.37 -2.86 0.24 0.00 0.00 0.00 0.00 51.96 49.71 2jdt s ALA 123 Cb -0.21 -2.20 1.12 0.00 0.00 0.00 0.00 23.12 21.83 2jdt s ALA 123 CO 0.23 -1.86 1.73 -1.00 0.00 0.00 0.00 175.76 174.86 2jdt h PRO 124 N 7.27 0.00 0.00 0.00 0.13 -1.88 -2.83 132.00 134.69 2jdt h PRO 124 Ca -0.06 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.07 2jdt h PRO 124 Cb 0.98 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.11 2jdt h PRO 124 CO 0.63 0.00 0.00 0.78 -0.23 0.00 0.00 178.00 179.18 2jdt h GLY 125 N 1.40 0.00 0.00 1.56 0.00 -1.86 -3.40 103.07 100.77 2jdt h GLY 125 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2jdt h GLY 125 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 2jdt n GLY 126 N -0.83 -2.30 3.84 4.60 0.00 -1.07 -4.71 105.19 104.71 2jdt n GLY 126 Ca -0.01 -1.63 -0.33 0.00 0.00 0.00 0.00 46.02 44.05 2jdt n GLY 126 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2jdt s GLU 127 N -0.37 4.07 0.23 1.61 2.02 -1.26 -1.10 118.70 123.90 2jdt s GLU 127 Ca 0.00 0.75 -0.07 0.00 0.02 0.00 0.00 54.97 55.67 2jdt s GLU 127 Cb 0.00 -2.48 0.40 0.00 0.10 0.00 0.00 34.13 32.16 2jdt s GLU 127 CO 0.00 0.18 1.67 1.98 0.02 0.00 0.00 175.26 179.11 2jdt h MET 128 N 2.41 0.19 -0.87 1.61 1.85 0.09 -2.53 114.93 117.68 2jdt h MET 128 Ca -0.48 -0.01 0.19 0.00 -0.61 0.00 0.00 59.70 58.78 2jdt h MET 128 Cb 1.18 -0.04 -0.16 0.00 0.43 0.00 0.00 31.60 33.00 2jdt h MET 128 CO 0.65 0.13 -0.16 0.35 -0.40 0.00 0.00 176.91 177.47 2jdt h PHE 129 N 0.20 -0.37 -0.10 1.39 3.57 -1.69 -0.19 116.94 119.76 2jdt h PHE 129 Ca 0.38 0.08 0.01 0.00 3.53 0.00 0.00 57.97 61.97 2jdt h PHE 129 Cb 0.65 0.30 -0.01 0.00 2.79 0.00 0.00 35.95 39.68 2jdt h PHE 129 CO -0.31 -0.37 0.02 0.77 -2.23 0.00 0.00 178.31 176.19 2jdt h SER 130 N 0.01 0.00 -0.04 0.41 0.02 -1.77 -0.90 113.55 111.29 2jdt h SER 130 Ca 0.44 0.01 -0.17 0.00 -0.84 0.00 0.00 61.79 61.24 2jdt h SER 130 Cb 0.72 0.02 -0.00 0.00 0.14 0.00 0.00 62.40 63.27 2jdt h SER 130 CO -0.88 0.02 -0.55 0.45 -1.14 0.00 0.00 176.83 174.73 2jdt h HIS 131 N 0.06 0.79 -0.31 3.45 3.86 -1.42 -2.49 115.15 119.09 2jdt h HIS 131 Ca 0.04 -0.28 -0.03 0.00 -1.16 0.00 0.00 60.37 58.94 2jdt h HIS 131 Cb 0.03 -0.15 -0.01 0.00 1.06 0.00 0.00 27.41 28.34 2jdt h HIS 131 CO -0.11 1.04 0.07 1.25 0.86 0.00 0.00 177.93 181.04 2jdt h LEU 132 N 0.48 0.48 -0.45 2.43 5.85 -0.87 -0.31 115.31 122.92 2jdt h LEU 132 Ca 0.01 -0.24 -0.06 0.00 0.84 0.00 0.00 57.88 58.44 2jdt h LEU 132 Cb 1.11 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 42.00 2jdt h LEU 132 CO 0.11 0.59 0.06 0.03 -0.34 0.00 0.00 178.44 178.89 2jdt h ARG 133 N 0.35 0.76 0.23 1.25 2.47 -1.19 0.17 114.38 118.42 2jdt h ARG 133 Ca 0.10 -0.21 -0.01 0.00 -1.26 0.00 0.00 59.98 58.60 2jdt h ARG 133 Cb 0.30 -0.08 0.00 0.00 -1.65 0.00 0.00 29.97 28.54 2jdt h ARG 133 CO 0.00 0.79 -0.11 -0.09 0.56 0.00 0.00 179.97 181.12 2jdt h ARG 134 N 0.62 -0.30 0.00 0.04 2.43 -1.39 -3.20 114.38 112.57 2jdt h ARG 134 Ca 0.14 0.02 -0.10 0.00 -0.81 0.00 0.00 59.98 59.22 2jdt h ARG 134 Cb 0.41 0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.01 2jdt h ARG 134 CO 0.01 -0.02 -0.50 0.82 -1.51 0.00 0.00 179.97 178.77 2jdt h ILE 135 N -0.58 1.19 0.00 1.20 2.04 -1.10 -3.48 117.51 116.79 2jdt h ILE 135 Ca -0.03 -1.82 0.00 0.00 1.00 0.00 0.00 64.86 64.01 2jdt h ILE 135 Cb 0.42 2.03 0.00 0.00 -0.74 0.00 0.00 36.82 38.53 2jdt h ILE 135 CO 0.05 0.49 0.00 0.61 0.00 0.00 0.00 178.15 179.30 2jdt n GLY 136 N 0.20 2.95 3.51 5.37 0.00 0.58 -4.96 105.19 112.85 2jdt n GLY 136 Ca -0.01 -0.79 -0.09 0.00 0.00 0.00 0.00 46.02 45.13 2jdt n GLY 136 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2jdt s ARG 137 N 0.00 1.10 -0.03 1.61 1.70 -1.24 -4.02 118.95 118.07 2jdt s ARG 137 Ca 0.00 -0.44 -0.02 0.00 -0.47 0.00 0.00 55.73 54.79 2jdt s ARG 137 Cb 0.00 0.48 -0.04 0.00 -0.57 0.00 0.00 34.95 34.82 2jdt s ARG 137 CO 0.00 -0.49 0.11 -0.06 -1.08 0.00 0.00 175.30 173.78 2jdt s PHE 138 N -3.44 3.39 0.98 5.89 0.08 0.56 -5.01 117.98 120.43 2jdt s PHE 138 Ca 0.04 0.30 -0.11 0.00 0.12 0.00 0.00 56.93 57.28 2jdt s PHE 138 Cb -0.01 -1.80 0.18 0.00 -0.57 0.00 0.00 43.02 40.81 2jdt s PHE 138 CO -0.09 0.60 1.09 -1.54 -0.10 0.00 0.00 175.22 175.18 2jdt s SER 139 N -1.57 2.54 0.17 1.36 1.04 -1.26 -4.31 113.70 111.67 2jdt s SER 139 Ca 0.21 1.77 -0.13 0.00 0.48 0.00 0.00 55.95 58.29 2jdt s SER 139 Cb -0.12 -2.38 0.06 0.00 0.10 0.00 0.00 66.02 63.69 2jdt s SER 139 CO 0.12 -3.27 1.73 -0.33 0.98 0.00 0.00 173.24 172.47 2jdt h GLU 140 N -1.98 0.84 -0.78 4.02 5.08 -1.95 0.22 114.58 120.02 2jdt h GLU 140 Ca -0.51 -0.14 -0.03 0.00 -1.00 0.00 0.00 59.36 57.68 2jdt h GLU 140 Cb 1.29 -0.14 -0.04 0.00 0.50 0.00 0.00 28.75 30.36 2jdt h GLU 140 CO 0.48 0.71 0.37 -1.35 -1.00 0.00 0.00 179.01 178.23 2jdt h PRO 141 N 0.78 1.12 0.29 2.33 0.11 -1.98 0.43 132.00 135.08 2jdt h PRO 141 Ca 0.19 -0.17 -0.01 0.00 0.11 0.00 0.00 66.00 66.12 2jdt h PRO 141 Cb 0.18 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 31.09 2jdt h PRO 141 CO -0.02 0.87 -0.14 1.25 -0.21 0.00 0.00 178.00 179.75 2jdt h HIS 142 N 1.10 -0.36 -0.48 0.65 2.76 -1.83 -0.02 115.15 116.97 2jdt h HIS 142 Ca 0.27 -0.01 0.06 0.00 -2.20 0.00 0.00 60.37 58.49 2jdt h HIS 142 Cb 0.12 0.12 -0.05 0.00 1.55 0.00 0.00 27.41 29.15 2jdt h HIS 142 CO 0.01 -0.21 0.18 0.00 -1.30 0.00 0.00 177.93 176.61 2jdt h ALA 143 N 0.30 0.58 -0.71 5.26 0.00 -0.42 -2.69 119.26 121.58 2jdt h ALA 143 Ca -0.04 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 2jdt h ALA 143 Cb 0.31 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 2jdt h ALA 143 CO 0.07 -0.20 0.39 -0.09 0.00 0.00 0.00 179.25 179.42 2jdt h ARG 144 N 0.37 0.97 0.01 0.00 2.43 0.12 -0.52 114.38 117.77 2jdt h ARG 144 Ca 0.22 -0.10 -0.00 0.00 -0.81 0.00 0.00 59.98 59.29 2jdt h ARG 144 Cb 0.21 -0.20 0.00 0.00 -0.42 0.00 0.00 29.97 29.57 2jdt h ARG 144 CO -0.22 0.71 -0.01 0.35 -1.51 0.00 0.00 179.97 179.30 2jdt h PHE 145 N 0.98 -0.02 -0.24 2.20 3.57 -0.68 -1.76 116.94 121.01 2jdt h PHE 145 Ca 0.25 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.75 2jdt h PHE 145 Cb 0.01 0.01 -0.01 0.00 2.79 0.00 0.00 35.95 38.75 2jdt h PHE 145 CO 0.01 0.08 0.16 1.88 -2.23 0.00 0.00 178.31 178.20 2jdt h TYR 146 N -0.11 0.30 -0.98 0.41 0.05 -1.24 -3.18 116.97 112.22 2jdt h TYR 146 Ca -0.00 0.01 0.06 0.00 0.05 0.00 0.00 58.73 58.85 2jdt h TYR 146 Cb 0.10 -0.10 -0.06 0.00 1.01 0.00 0.00 36.73 37.68 2jdt h TYR 146 CO -0.05 0.19 0.63 0.00 -1.05 0.00 0.00 178.16 177.89 2jdt h ALA 147 N 1.08 1.43 -0.80 3.88 0.00 -1.04 -1.35 119.26 122.46 2jdt h ALA 147 Ca 0.09 -0.03 0.10 0.00 0.00 0.00 0.00 54.91 55.07 2jdt h ALA 147 Cb -0.03 -0.30 -0.08 0.00 0.00 0.00 0.00 17.79 17.38 2jdt h ALA 147 CO -0.02 0.43 0.43 0.00 0.00 0.00 0.00 179.25 180.09 2jdt h ALA 148 N 1.47 1.14 -0.12 0.00 0.00 -1.30 0.22 119.26 120.68 2jdt h ALA 148 Ca 0.42 0.05 -0.13 0.00 0.00 0.00 0.00 54.91 55.25 2jdt h ALA 148 Cb 0.16 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 2jdt h ALA 148 CO -0.16 0.02 -0.48 1.96 0.00 0.00 0.00 179.25 180.59 2jdt h GLN 149 N 0.71 0.30 -0.30 0.00 4.20 -1.29 -1.72 115.11 116.99 2jdt h GLN 149 Ca 0.40 -0.16 -0.11 0.00 0.06 0.00 0.00 58.65 58.83 2jdt h GLN 149 Cb 0.42 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.20 2jdt h GLN 149 CO -0.28 0.72 -0.24 0.82 -0.67 0.00 0.00 178.83 179.19 2jdt h ILE 150 N 0.24 1.30 -0.55 2.54 1.08 -0.86 -1.82 117.51 119.44 2jdt h ILE 150 Ca 0.01 -1.38 0.03 0.00 -0.39 0.00 0.00 64.86 63.13 2jdt h ILE 150 Cb 0.94 1.52 -0.04 0.00 -3.07 0.00 0.00 36.82 36.17 2jdt h ILE 150 CO 0.08 0.45 0.32 0.58 -0.69 0.00 0.00 178.15 178.88 2jdt h VAL 151 N 0.45 1.03 -0.38 1.67 2.07 -0.35 -1.37 116.25 119.37 2jdt h VAL 151 Ca 0.06 -0.21 -0.11 0.00 0.82 0.00 0.00 66.70 67.25 2jdt h VAL 151 Cb 0.79 0.35 -0.01 0.00 -1.52 0.00 0.00 31.29 30.90 2jdt h VAL 151 CO 0.06 0.11 -0.22 -0.07 0.02 0.00 0.00 177.57 177.48 2jdt h LEU 152 N 0.62 0.76 -0.69 2.57 3.38 -1.34 -2.10 115.31 118.51 2jdt h LEU 152 Ca 0.23 -0.27 -0.13 0.00 0.09 0.00 0.00 57.88 57.80 2jdt h LEU 152 Cb 0.06 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 2jdt h LEU 152 CO -0.12 0.96 -0.34 0.74 0.09 0.00 0.00 178.44 179.78 2jdt h THR 153 N 0.65 1.29 0.02 0.22 2.02 -0.92 -1.29 112.91 114.90 2jdt h THR 153 Ca 0.09 -1.47 -0.25 0.00 0.77 0.00 0.00 66.41 65.55 2jdt h THR 153 Cb 0.72 1.43 0.02 0.00 -1.74 0.00 0.00 68.15 68.58 2jdt h THR 153 CO 0.06 0.47 -1.00 -0.26 0.37 0.00 0.00 175.52 175.15 2jdt h PHE 154 N 0.53 0.97 -0.37 3.16 0.04 -1.21 0.66 116.94 120.72 2jdt h PHE 154 Ca 0.06 -0.54 0.08 0.00 2.80 0.00 0.00 57.97 60.36 2jdt h PHE 154 Cb 0.84 -0.10 -0.09 0.00 2.20 0.00 0.00 35.95 38.79 2jdt h PHE 154 CO 0.04 1.38 -0.27 1.49 -0.60 0.00 0.00 178.31 180.34 2jdt h GLU 155 N 0.29 -0.21 0.38 1.51 4.81 -1.28 0.71 114.58 120.78 2jdt h GLU 155 Ca -0.13 0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.10 2jdt h GLU 155 Cb 1.67 0.05 -0.02 0.00 0.63 0.00 0.00 28.75 31.08 2jdt h GLU 155 CO 0.20 -0.14 -0.46 -0.92 -0.73 0.00 0.00 179.01 176.95 2jdt h TYR 156 N -0.22 -1.29 -0.44 0.92 3.20 -1.10 -2.38 116.97 115.65 2jdt h TYR 156 Ca 0.17 0.01 0.03 0.00 3.14 0.00 0.00 58.73 62.09 2jdt h TYR 156 Cb 0.50 0.51 -0.04 0.00 1.54 0.00 0.00 36.73 39.25 2jdt h TYR 156 CO -0.48 -0.59 0.23 -0.07 -1.64 0.00 0.00 178.16 175.61 2jdt h LEU 157 N -0.86 0.34 -1.74 2.82 3.38 -0.47 -2.01 115.31 116.76 2jdt h LEU 157 Ca -0.05 0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.91 2jdt h LEU 157 Cb 0.77 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.46 2jdt h LEU 157 CO -0.10 0.24 -0.13 0.45 0.09 0.00 0.00 178.44 178.99 2jdt h HIS 158 N 0.46 0.00 0.00 1.13 3.86 0.39 -0.63 115.15 120.36 2jdt h HIS 158 Ca 0.19 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.39 2jdt h HIS 158 Cb 0.08 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.55 2jdt h HIS 158 CO -0.09 0.13 -0.03 0.66 0.86 0.00 0.00 177.93 179.46 2jdt h SER 159 N 0.00 0.00 -0.43 2.45 4.64 -0.81 -2.37 113.55 117.02 2jdt h SER 159 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2jdt h SER 159 Cb 0.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.33 2jdt h SER 159 CO 0.02 0.03 0.00 0.18 -0.87 0.00 0.00 176.83 176.19 2jdt n LEU 160 N -3.14 2.78 -0.51 5.97 4.77 -0.31 -4.91 117.00 121.64 2jdt n LEU 160 Ca 0.00 -1.30 -0.06 0.00 -0.03 0.00 0.00 56.01 54.62 2jdt n LEU 160 Cb 0.29 -0.28 -0.02 0.00 -2.33 0.00 0.00 43.42 41.08 2jdt n LEU 160 CO 0.27 0.65 -0.06 0.47 -1.33 0.00 0.00 177.39 177.39 2jdt n ASP 161 N 1.03 -3.34 -4.78 -1.43 8.00 -0.89 -4.92 116.55 110.22 2jdt n ASP 161 Ca 0.18 0.10 -0.36 0.00 0.71 0.00 0.00 54.79 55.43 2jdt n ASP 161 Cb 0.47 -1.73 -0.08 0.00 -0.02 0.00 0.00 41.12 39.76 2jdt n ASP 161 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2jdt s LEU 162 N -1.44 4.08 -0.11 0.64 1.43 -0.81 -1.15 118.68 121.33 2jdt s LEU 162 Ca 0.00 0.30 -0.02 0.00 -1.03 0.00 0.00 54.13 53.38 2jdt s LEU 162 Cb 0.00 -1.99 -0.03 0.00 0.03 0.00 0.00 46.19 44.20 2jdt s LEU 162 CO 0.00 0.34 -0.03 -0.63 0.23 0.00 0.00 176.35 176.26 2jdt s ILE 163 N -0.63 3.97 -0.16 -0.59 1.01 -0.55 -3.58 121.20 120.67 2jdt s ILE 163 Ca 0.12 -0.36 -0.14 0.00 0.00 0.00 0.00 60.65 60.27 2jdt s ILE 163 Cb -0.12 -2.69 -0.11 0.00 0.01 0.00 0.00 42.46 39.56 2jdt s ILE 163 CO 0.02 0.55 0.10 0.22 0.00 0.00 0.00 174.94 175.83 2jdt h TYR 164 N 5.87 0.00 -0.03 3.97 3.20 -1.88 -1.70 116.97 126.40 2jdt h TYR 164 Ca -0.42 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.44 2jdt h TYR 164 Cb 1.19 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 39.45 2jdt h TYR 164 CO 0.57 0.63 -0.01 0.54 -1.64 0.00 0.00 178.16 178.25 2jdt n ARG 165 N -4.58 -0.21 -2.71 1.82 1.74 -1.26 -2.91 116.66 108.55 2jdt n ARG 165 Ca -0.15 0.18 -0.05 0.00 -0.77 0.00 0.00 57.85 57.06 2jdt n ARG 165 Cb 0.39 -3.46 0.08 0.00 -1.02 0.00 0.00 32.46 28.46 2jdt n ARG 165 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 2jdt n ASP 166 N 0.30 -0.20 -4.70 0.55 2.03 -1.26 -4.17 116.55 109.10 2jdt n ASP 166 Ca -0.01 -2.41 -0.42 0.00 0.52 0.00 0.00 54.79 52.47 2jdt n ASP 166 Cb 0.06 0.22 -0.03 0.00 -0.72 0.00 0.00 41.12 40.65 2jdt n ASP 166 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 2jdt s LEU 167 N -3.47 4.36 -0.04 -2.67 2.96 -1.26 -4.83 118.68 113.73 2jdt s LEU 167 Ca 0.22 2.43 -0.30 0.00 -0.22 0.00 0.00 54.13 56.25 2jdt s LEU 167 Cb 0.41 -3.58 0.11 0.00 0.50 0.00 0.00 46.19 43.64 2jdt s LEU 167 CO -0.05 -0.80 1.02 -1.59 -1.32 0.00 0.00 176.35 173.62 2jdt s LYS 168 N 1.89 0.68 0.45 1.98 -2.85 -1.26 -4.90 119.74 115.73 2jdt s LYS 168 Ca 0.69 -0.28 0.11 0.00 -1.00 0.00 0.00 55.97 55.49 2jdt s LYS 168 Cb -0.39 0.29 1.01 0.00 -2.06 0.00 0.00 37.83 36.68 2jdt s LYS 168 CO 0.31 -0.30 2.08 -1.35 0.10 0.00 0.00 175.35 176.18 2jdt h PRO 169 N 2.00 0.30 -0.01 1.78 0.11 -1.93 -1.40 132.00 132.85 2jdt h PRO 169 Ca -0.19 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.90 2jdt h PRO 169 Cb 1.21 -0.07 -0.00 0.00 0.11 0.00 0.00 31.00 32.26 2jdt h PRO 169 CO 0.28 0.22 0.01 0.93 -0.21 0.00 0.00 178.00 179.23 2jdt h GLU 170 N 0.31 0.00 -0.45 1.05 3.07 -1.95 -2.40 114.58 114.22 2jdt h GLU 170 Ca 0.08 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.94 2jdt h GLU 170 Cb 0.01 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.92 2jdt h GLU 170 CO -0.01 0.00 0.00 0.09 -1.40 0.00 0.00 179.01 177.69 2jdt n ASN 171 N -3.43 3.83 -4.07 1.42 3.02 -0.53 -4.90 115.26 110.61 2jdt n ASN 171 Ca -0.03 -2.40 -0.32 0.00 -0.03 0.00 0.00 54.58 51.80 2jdt n ASN 171 Cb 0.09 -0.44 -0.15 0.00 -0.61 0.00 0.00 39.78 38.67 2jdt n ASN 171 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2jdt s LEU 172 N -1.74 3.01 0.22 3.41 1.43 -0.95 -1.64 118.68 122.43 2jdt s LEU 172 Ca 0.39 -1.18 -0.18 0.00 -1.03 0.00 0.00 54.13 52.12 2jdt s LEU 172 Cb 0.25 -1.48 -0.08 0.00 0.03 0.00 0.00 46.19 44.91 2jdt s LEU 172 CO 0.18 -0.15 0.70 -0.04 0.23 0.00 0.00 176.35 177.27 2jdt s MET 173 N 1.18 4.18 -0.26 1.70 -1.94 0.16 0.50 119.30 124.84 2jdt s MET 173 Ca -0.05 0.79 -0.12 0.00 -1.71 0.00 0.00 55.69 54.59 2jdt s MET 173 Cb -0.18 -2.85 -0.05 0.00 2.01 0.00 0.00 34.83 33.76 2jdt s MET 173 CO -0.07 0.39 0.25 0.42 -0.01 0.00 0.00 175.02 176.00 2jdt s ILE 174 N -1.55 5.28 0.91 2.53 -1.09 -0.26 -0.90 121.20 126.11 2jdt s ILE 174 Ca 0.43 0.33 -0.11 0.00 -2.23 0.00 0.00 60.65 59.07 2jdt s ILE 174 Cb -0.16 -3.59 0.20 0.00 -1.58 0.00 0.00 42.46 37.34 2jdt s ILE 174 CO 0.20 0.25 1.24 -0.90 -1.23 0.00 0.00 174.94 174.51 2jdt n ASP 175 N 4.85 0.56 0.25 3.58 5.68 0.11 -3.24 116.55 128.33 2jdt n ASP 175 Ca -0.12 -1.73 0.14 0.00 -0.50 0.00 0.00 54.79 52.58 2jdt n ASP 175 Cb 0.52 -0.91 0.60 0.00 -1.14 0.00 0.00 41.12 40.19 2jdt n ASP 175 CO 0.00 0.00 0.00 -0.61 -1.33 0.00 0.00 177.20 175.26 2jdt h GLN 176 N 0.00 0.00 -0.06 0.11 4.15 -1.96 0.13 115.11 117.49 2jdt h GLN 176 Ca -0.40 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.02 2jdt h GLN 176 Cb 1.22 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.91 2jdt h GLN 176 CO 0.33 0.11 0.00 1.04 -1.93 0.00 0.00 178.83 178.38 2jdt n GLN 177 N -3.27 1.32 -1.09 1.69 6.02 -1.26 -4.71 117.38 116.08 2jdt n GLN 177 Ca 0.00 -0.48 -0.03 0.00 -0.01 0.00 0.00 57.00 56.48 2jdt n GLN 177 Cb 0.35 -1.38 -0.01 0.00 1.02 0.00 0.00 30.24 30.22 2jdt n GLN 177 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2jdt n GLY 178 N 0.98 0.60 3.94 1.08 0.00 0.45 -4.51 105.19 107.73 2jdt n GLY 178 Ca 0.17 -0.37 -0.24 0.00 0.00 0.00 0.00 46.02 45.58 2jdt n GLY 178 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2jdt s TYR 179 N -1.96 3.25 0.08 1.61 1.51 -1.26 -4.78 117.35 115.81 2jdt s TYR 179 Ca 0.00 0.34 0.00 0.00 -1.01 0.00 0.00 57.07 56.40 2jdt s TYR 179 Cb 0.00 -2.37 -0.04 0.00 -0.11 0.00 0.00 41.96 39.44 2jdt s TYR 179 CO 0.00 -0.42 0.23 0.96 -1.11 0.00 0.00 175.55 175.21 2jdt s ILE 180 N -2.63 5.37 -0.16 2.71 -4.36 -1.26 0.04 121.20 120.91 2jdt s ILE 180 Ca 0.49 -0.43 0.01 0.00 -0.26 0.00 0.00 60.65 60.46 2jdt s ILE 180 Cb -0.10 -3.65 0.01 0.00 1.25 0.00 0.00 42.46 39.97 2jdt s ILE 180 CO 0.39 0.10 -0.18 -0.54 0.24 0.00 0.00 174.94 174.95 2jdt s LYS 181 N -2.64 3.12 0.03 0.37 -0.14 -0.08 -4.33 119.74 116.07 2jdt s LYS 181 Ca 0.35 -0.79 -0.30 0.00 -1.36 0.00 0.00 55.97 53.87 2jdt s LYS 181 Cb -0.13 -2.58 -0.04 0.00 -1.68 0.00 0.00 37.83 33.40 2jdt s LYS 181 CO 0.28 -0.06 1.06 0.08 -0.76 0.00 0.00 175.35 175.95 2jdt s VAL 182 N 0.97 4.53 0.10 3.17 1.01 0.11 -0.66 120.40 129.63 2jdt s VAL 182 Ca -0.03 1.84 0.00 0.00 0.00 0.00 0.00 61.98 63.79 2jdt s VAL 182 Cb -0.15 -4.18 0.00 0.00 0.00 0.00 0.00 36.38 32.06 2jdt s VAL 182 CO -0.04 0.15 0.01 0.35 0.00 0.00 0.00 175.10 175.58 2jdt n THR 183 N 3.82 0.00 -3.05 3.92 -2.24 -0.65 -1.67 114.28 114.41 2jdt n THR 183 Ca 0.07 -0.46 -0.09 0.00 -2.27 0.00 0.00 64.05 61.30 2jdt n THR 183 Cb 0.49 0.01 0.01 0.00 -2.10 0.00 0.00 70.33 68.74 2jdt n THR 183 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2jdt n ASP 184 N -1.21 -7.47 -1.64 3.42 8.00 -1.26 -4.91 116.55 111.48 2jdt n ASP 184 Ca -0.04 0.16 0.03 0.00 0.71 0.00 0.00 54.79 55.65 2jdt n ASP 184 Cb 0.12 -4.77 0.30 0.00 -0.02 0.00 0.00 41.12 36.76 2jdt n ASP 184 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 2jdt n PHE 185 N -0.97 1.73 0.04 1.24 3.01 -1.26 -4.59 117.46 116.66 2jdt n PHE 185 Ca 0.03 -0.68 0.20 0.00 1.01 0.00 0.00 57.45 58.02 2jdt n PHE 185 Cb 0.51 -0.47 0.72 0.00 -0.01 0.00 0.00 39.48 40.24 2jdt n PHE 185 CO 0.00 0.00 0.00 0.78 1.01 0.00 0.00 176.76 178.55 2jdt h GLY 186 N 3.97 0.00 -1.20 1.37 0.00 -1.91 -1.93 103.07 103.37 2jdt h GLY 186 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.38 2jdt h GLY 186 CO 0.44 0.00 0.00 0.69 0.00 0.00 0.00 176.54 177.67 2jdt n PHE 187 N -4.13 0.15 -2.07 5.60 3.72 -1.26 -4.51 117.46 114.96 2jdt n PHE 187 Ca 0.09 -0.14 -0.40 0.00 -0.05 0.00 0.00 57.45 56.95 2jdt n PHE 187 Cb 0.60 -0.01 -0.01 0.00 -0.94 0.00 0.00 39.48 39.12 2jdt n PHE 187 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2jdt s ALA 188 N -1.09 3.44 -0.12 4.37 0.00 -0.72 -4.66 121.76 122.98 2jdt s ALA 188 Ca 0.19 1.28 -0.10 0.00 0.00 0.00 0.00 51.96 53.33 2jdt s ALA 188 Cb 0.12 -3.49 0.04 0.00 0.00 0.00 0.00 23.12 19.79 2jdt s ALA 188 CO 0.17 -0.73 0.31 0.21 0.00 0.00 0.00 175.76 175.73 2jdt s LYS 189 N -1.94 0.34 -0.48 0.00 2.20 -0.64 -4.52 119.74 114.71 2jdt s LYS 189 Ca 0.51 0.49 -0.22 0.00 -0.36 0.00 0.00 55.97 56.40 2jdt s LYS 189 Cb -0.40 0.10 0.03 0.00 -1.51 0.00 0.00 37.83 36.06 2jdt s LYS 189 CO 0.53 -0.08 0.74 0.50 -0.36 0.00 0.00 175.35 176.68 2jdt s ARG 190 N 0.50 3.30 -0.08 4.03 3.52 -1.26 -1.48 118.95 127.48 2jdt s ARG 190 Ca -0.03 -0.37 -0.03 0.00 -0.13 0.00 0.00 55.73 55.17 2jdt s ARG 190 Cb -0.04 -3.99 0.04 0.00 -1.56 0.00 0.00 34.95 29.40 2jdt s ARG 190 CO -0.03 -1.17 0.17 0.54 -0.81 0.00 0.00 175.30 174.00 2jdt s VAL 191 N 3.14 -0.10 -0.03 7.11 0.11 -0.30 -5.01 120.40 125.32 2jdt s VAL 191 Ca 0.25 0.21 0.07 0.00 -2.93 0.00 0.00 61.98 59.57 2jdt s VAL 191 Cb -0.14 -0.28 -0.24 0.00 -1.53 0.00 0.00 36.38 34.19 2jdt s VAL 191 CO 0.19 0.09 0.71 0.11 -3.33 0.00 0.00 175.10 172.86 2jdt h LYS 192 N 7.47 0.08 0.00 1.54 1.57 -1.96 -3.44 116.57 121.84 2jdt h LYS 192 Ca -0.36 -0.14 0.00 0.00 -1.87 0.00 0.00 60.65 58.28 2jdt h LYS 192 Cb 1.14 0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.50 2jdt h LYS 192 CO 0.36 0.76 0.00 0.41 -0.57 0.00 0.00 179.45 180.40 2jdt n GLY 193 N 1.62 1.72 3.88 3.86 0.00 -1.26 -5.10 105.19 109.91 2jdt n GLY 193 Ca -0.17 -1.77 -0.30 0.00 0.00 0.00 0.00 46.02 43.77 2jdt n GLY 193 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2jdt s ARG 194 N 3.50 3.75 0.21 1.61 1.70 -1.26 -4.81 118.95 123.64 2jdt s ARG 194 Ca 0.00 0.41 0.01 0.00 -0.47 0.00 0.00 55.73 55.69 2jdt s ARG 194 Cb 0.00 -2.41 -0.05 0.00 -0.57 0.00 0.00 34.95 31.93 2jdt s ARG 194 CO 0.00 -0.03 0.05 -0.08 -1.08 0.00 0.00 175.30 174.16 2jdt s THR 195 N -2.38 0.59 -0.15 4.99 -1.32 -0.43 -4.89 115.64 112.05 2jdt s THR 195 Ca 0.50 -1.99 -0.01 0.00 -1.21 0.00 0.00 61.69 58.98 2jdt s THR 195 Cb -0.10 -2.36 0.04 0.00 -1.51 0.00 0.00 72.50 68.57 2jdt s THR 195 CO 0.32 -0.25 -0.01 0.26 -2.21 0.00 0.00 174.62 172.73 2jdt s TRP 196 N -3.73 1.26 -0.27 9.09 0.51 -1.26 -0.60 118.94 123.94 2jdt s TRP 196 Ca 0.31 -0.80 -0.02 0.00 -2.12 0.00 0.00 56.10 53.47 2jdt s TRP 196 Cb 0.07 -1.11 0.09 0.00 -0.81 0.00 0.00 33.47 31.71 2jdt s TRP 196 CO 0.08 -0.54 0.08 -1.17 -0.51 0.00 0.00 176.95 174.89 2jdt s LEU 198 N 1.78 1.58 0.13 2.99 2.96 -1.26 -4.96 118.68 121.90 2jdt s LEU 198 Ca 0.01 -1.31 -0.16 0.00 -0.22 0.00 0.00 54.13 52.46 2jdt s LEU 198 Cb -0.15 -0.68 0.03 0.00 0.50 0.00 0.00 46.19 45.89 2jdt s LEU 198 CO -0.07 -0.38 0.40 0.00 -1.32 0.00 0.00 176.35 174.97 2jdt n GLY 200 N -0.22 0.82 3.12 0.00 0.00 -1.26 -5.01 105.19 102.64 2jdt n GLY 200 Ca -0.15 -1.87 -0.26 0.00 0.00 0.00 0.00 46.02 43.73 2jdt n GLY 200 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2jdt s THR 201 N -2.68 1.43 0.20 2.61 2.01 -1.26 -5.05 115.64 112.89 2jdt s THR 201 Ca 0.00 -0.70 -0.19 0.00 0.31 0.00 0.00 61.69 61.11 2jdt s THR 201 Cb 0.00 -1.24 0.16 0.00 0.01 0.00 0.00 72.50 71.43 2jdt s THR 201 CO 0.00 0.41 1.59 -0.65 -0.69 0.00 0.00 174.62 175.29 2jdt h PRO 202 N 6.40 -0.12 -0.15 4.92 0.11 -1.98 0.37 132.00 141.55 2jdt h PRO 202 Ca -0.31 0.01 0.04 0.00 0.11 0.00 0.00 66.00 65.85 2jdt h PRO 202 Cb 1.18 0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 2jdt h PRO 202 CO 0.48 -0.08 0.29 0.93 -0.21 0.00 0.00 178.00 179.41 2jdt h GLU 203 N -0.12 0.00 -0.05 1.05 3.07 -1.96 -2.78 114.58 113.78 2jdt h GLU 203 Ca 0.26 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.12 2jdt h GLU 203 Cb 0.54 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.45 2jdt h GLU 203 CO -0.69 0.00 0.00 0.66 -1.40 0.00 0.00 179.01 177.58 2jdt n TYR 204 N -3.34 0.05 -2.60 4.33 4.02 0.13 -4.83 117.16 114.92 2jdt n TYR 204 Ca 0.01 -0.04 -0.42 0.00 -0.01 0.00 0.00 57.90 57.44 2jdt n TYR 204 Cb 0.39 -0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 39.68 2jdt n TYR 204 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 2jdt s LEU 205 N -1.17 4.40 0.69 7.72 1.43 -1.05 -4.31 118.68 126.38 2jdt s LEU 205 Ca 0.18 1.83 -0.16 0.00 -1.03 0.00 0.00 54.13 54.95 2jdt s LEU 205 Cb 0.12 -3.58 0.02 0.00 0.03 0.00 0.00 46.19 42.78 2jdt s LEU 205 CO 0.18 -0.30 1.19 0.00 0.23 0.00 0.00 176.35 177.64 2jdt s ALA 206 N 0.80 2.28 0.30 4.21 0.00 -1.26 -4.91 121.76 123.18 2jdt s ALA 206 Ca 0.53 0.84 0.01 0.00 0.00 0.00 0.00 51.96 53.35 2jdt s ALA 206 Cb -0.25 -3.44 0.56 0.00 0.00 0.00 0.00 23.12 19.99 2jdt s ALA 206 CO 0.29 -1.61 1.90 -1.35 0.00 0.00 0.00 175.76 174.99 2jdt h PRO 207 N 0.02 0.97 -0.83 0.00 0.11 -1.95 -1.95 132.00 128.36 2jdt h PRO 207 Ca -0.48 -0.06 0.20 0.00 0.11 0.00 0.00 66.00 65.77 2jdt h PRO 207 Cb 1.29 -0.22 -0.13 0.00 0.11 0.00 0.00 31.00 32.05 2jdt h PRO 207 CO 0.52 0.64 0.24 0.93 -0.21 0.00 0.00 178.00 180.11 2jdt h GLU 208 N 1.00 0.26 0.05 1.05 3.07 -1.93 -0.42 114.58 117.66 2jdt h GLU 208 Ca 0.40 -0.02 -0.00 0.00 -0.50 0.00 0.00 59.36 59.24 2jdt h GLU 208 Cb 0.26 -0.06 0.00 0.00 -0.84 0.00 0.00 28.75 28.12 2jdt h GLU 208 CO -0.16 0.17 -0.02 0.82 -1.40 0.00 0.00 179.01 178.42 2jdt h ILE 209 N 0.27 1.19 -0.89 3.13 2.04 -1.64 -1.78 117.51 119.83 2jdt h ILE 209 Ca 0.50 -0.84 0.10 0.00 1.00 0.00 0.00 64.86 65.62 2jdt h ILE 209 Cb 0.93 1.74 -0.06 0.00 -0.74 0.00 0.00 36.82 38.69 2jdt h ILE 209 CO -0.58 0.21 0.57 0.40 0.00 0.00 0.00 178.15 178.76 2jdt h ILE 210 N -0.44 0.97 -0.44 -0.67 2.04 -1.25 -1.01 117.51 116.71 2jdt h ILE 210 Ca -0.01 -0.30 0.00 0.00 1.00 0.00 0.00 64.86 65.55 2jdt h ILE 210 Cb 0.40 0.01 0.00 0.00 -0.74 0.00 0.00 36.82 36.48 2jdt h ILE 210 CO 0.01 0.16 0.00 0.18 0.00 0.00 0.00 178.15 178.50 2jdt n LEU 211 N -4.53 2.80 -3.19 1.44 4.77 -0.22 -4.92 117.00 113.16 2jdt n LEU 211 Ca 0.15 -1.41 -0.22 0.00 -0.03 0.00 0.00 56.01 54.51 2jdt n LEU 211 Cb 0.31 -0.38 0.06 0.00 -2.33 0.00 0.00 43.42 41.08 2jdt n LEU 211 CO 0.31 0.58 0.14 -0.24 -1.33 0.00 0.00 177.39 176.86 2jdt n SER 212 N 0.74 -6.04 -4.95 -1.43 2.88 -0.38 -4.98 113.62 99.45 2jdt n SER 212 Ca 0.16 -0.41 -0.23 0.00 -1.33 0.00 0.00 58.87 57.05 2jdt n SER 212 Cb 0.49 -4.74 0.00 0.00 -0.75 0.00 0.00 64.21 59.21 2jdt n SER 212 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 2jdt s LYS 213 N -6.00 3.26 0.30 -1.46 1.02 -0.72 -5.06 119.74 111.08 2jdt s LYS 213 Ca 0.45 -0.41 -0.29 0.00 0.02 0.00 0.00 55.97 55.74 2jdt s LYS 213 Cb -0.20 -2.60 -0.10 0.00 -0.52 0.00 0.00 37.83 34.41 2jdt s LYS 213 CO 0.56 -0.08 1.33 0.20 -0.92 0.00 0.00 175.35 176.44 2jdt s GLY 214 N -4.13 2.83 0.37 -3.33 0.00 -1.26 -4.71 107.32 97.08 2jdt s GLY 214 Ca 0.45 1.26 0.05 0.00 0.00 0.00 0.00 44.72 46.48 2jdt s GLY 214 CO 0.37 2.00 0.21 -2.52 0.00 0.00 0.00 173.10 173.15 2jdt s TYR 215 N -0.82 1.75 0.00 1.90 1.13 0.23 -4.88 117.35 116.67 2jdt s TYR 215 Ca 0.52 -1.49 0.00 0.00 -1.41 0.00 0.00 57.07 54.69 2jdt s TYR 215 Cb -0.40 -0.92 0.00 0.00 -1.10 0.00 0.00 41.96 39.54 2jdt s TYR 215 CO 0.50 -0.60 0.00 0.27 -2.51 0.00 0.00 175.55 173.21 2jdt n ASN 216 N -1.42 0.00 0.20 -0.18 0.23 -1.26 -1.31 115.26 111.52 2jdt n ASN 216 Ca 0.01 -0.32 0.14 0.00 -0.53 0.00 0.00 54.58 53.87 2jdt n ASN 216 Cb 0.64 0.00 0.72 0.00 -2.08 0.00 0.00 39.78 39.05 2jdt n ASN 216 CO 0.00 0.00 0.00 0.11 -0.93 0.00 0.00 177.26 176.44 2jdt h LYS 217 N 0.00 0.00 -0.10 -3.83 1.57 -1.94 -2.44 116.57 109.83 2jdt h LYS 217 Ca 0.00 0.00 0.03 0.00 -1.87 0.00 0.00 60.65 58.81 2jdt h LYS 217 Cb 0.00 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.31 2jdt h LYS 217 CO 0.00 0.00 0.15 0.00 -0.57 0.00 0.00 179.45 179.03 2jdt h ALA 218 N 2.01 1.56 0.00 3.86 0.00 -1.96 -1.21 119.26 123.53 2jdt h ALA 218 Ca 0.00 -0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 2jdt h ALA 218 Cb 0.02 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 2jdt h ALA 218 CO 0.00 -0.20 -0.31 -0.39 0.00 0.00 0.00 179.25 178.35 2jdt h VAL 219 N 0.00 0.85 -0.28 0.00 -1.51 -1.86 -2.14 116.25 111.31 2jdt h VAL 219 Ca 0.05 -1.26 -0.14 0.00 -1.23 0.00 0.00 66.70 64.11 2jdt h VAL 219 Cb 0.35 1.77 -0.01 0.00 -2.13 0.00 0.00 31.29 31.26 2jdt h VAL 219 CO -0.00 0.31 -0.41 0.44 -1.23 0.00 0.00 177.57 176.67 2jdt h ASP 220 N 0.00 0.72 -0.45 4.19 3.32 -1.45 -1.79 116.42 120.96 2jdt h ASP 220 Ca -0.00 -0.33 -0.14 0.00 0.02 0.00 0.00 57.03 56.57 2jdt h ASP 220 Cb 0.74 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 40.08 2jdt h ASP 220 CO 0.04 1.04 -0.28 -0.50 -1.72 0.00 0.00 179.24 177.82 2jdt h TRP 221 N 0.55 1.14 -0.33 4.55 4.06 -1.51 0.18 115.95 124.59 2jdt h TRP 221 Ca 0.04 -0.30 0.02 0.00 2.06 0.00 0.00 58.89 60.71 2jdt h TRP 221 Cb 0.95 -0.26 -0.02 0.00 -1.00 0.00 0.00 29.16 28.83 2jdt h TRP 221 CO 0.05 1.13 0.19 2.35 -3.56 0.00 0.00 178.44 178.60 2jdt h TRP 222 N 0.83 0.35 -0.93 0.49 2.91 -1.42 -2.40 115.95 115.77 2jdt h TRP 222 Ca 0.09 0.01 0.01 0.00 1.13 0.00 0.00 58.89 60.13 2jdt h TRP 222 Cb 0.87 -0.11 -0.05 0.00 -0.51 0.00 0.00 29.16 29.36 2jdt h TRP 222 CO 0.06 0.21 0.62 0.00 -1.03 0.00 0.00 178.44 178.29 2jdt h ALA 223 N 1.15 1.19 -0.81 2.65 0.00 -1.09 -0.62 119.26 121.72 2jdt h ALA 223 Ca 0.13 -0.06 0.14 0.00 0.00 0.00 0.00 54.91 55.12 2jdt h ALA 223 Cb 0.01 -0.38 -0.09 0.00 0.00 0.00 0.00 17.79 17.33 2jdt h ALA 223 CO -0.07 0.58 0.40 1.25 0.00 0.00 0.00 179.25 181.41 2jdt h LEU 224 N 1.27 0.47 -0.48 0.00 5.85 -0.77 0.31 115.31 121.95 2jdt h LEU 224 Ca 0.34 0.09 0.03 0.00 0.84 0.00 0.00 57.88 59.18 2jdt h LEU 224 Cb -0.14 0.02 -0.03 0.00 0.37 0.00 0.00 40.66 40.87 2jdt h LEU 224 CO -0.08 0.20 0.27 1.23 -0.34 0.00 0.00 178.44 179.73 2jdt h GLY 225 N 0.58 0.67 0.88 3.75 0.00 -0.63 -0.48 103.07 107.85 2jdt h GLY 225 Ca 0.44 -0.20 0.02 0.00 0.00 0.00 0.00 47.33 47.59 2jdt h GLY 225 CO -0.36 0.16 0.17 -2.08 0.00 0.00 0.00 176.54 174.43 2jdt h VAL 226 N 0.54 1.01 -0.09 4.60 2.07 -0.58 -2.04 116.25 121.77 2jdt h VAL 226 Ca 0.20 -0.12 -0.00 0.00 0.82 0.00 0.00 66.70 67.59 2jdt h VAL 226 Cb 0.05 0.62 -0.00 0.00 -1.52 0.00 0.00 31.29 30.43 2jdt h VAL 226 CO -0.10 0.07 0.05 0.25 0.02 0.00 0.00 177.57 177.85 2jdt h LEU 227 N 0.36 0.10 -0.18 2.57 5.85 -0.51 -0.52 115.31 122.98 2jdt h LEU 227 Ca 0.13 -0.05 0.03 0.00 0.84 0.00 0.00 57.88 58.83 2jdt h LEU 227 Cb 0.03 -0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.00 2jdt h LEU 227 CO -0.08 0.12 -0.02 0.40 -0.34 0.00 0.00 178.44 178.53 2jdt h ILE 228 N 0.08 0.85 0.08 4.05 2.04 -1.05 0.18 117.51 123.74 2jdt h ILE 228 Ca 0.03 -0.01 0.02 0.00 1.00 0.00 0.00 64.86 65.90 2jdt h ILE 228 Cb 0.04 0.81 -0.04 0.00 -0.74 0.00 0.00 36.82 36.89 2jdt h ILE 228 CO -0.01 0.01 -0.31 0.22 0.00 0.00 0.00 178.15 178.06 2jdt h TYR 229 N 0.04 -0.85 -0.52 1.37 5.03 -1.11 -1.26 116.97 119.67 2jdt h TYR 229 Ca 0.09 0.02 0.04 0.00 2.58 0.00 0.00 58.73 61.46 2jdt h TYR 229 Cb 0.12 0.37 -0.04 0.00 1.55 0.00 0.00 36.73 38.72 2jdt h TYR 229 CO -0.18 -0.42 0.28 1.49 -1.32 0.00 0.00 178.16 178.01 2jdt h GLU 230 N -0.51 0.52 -0.90 1.82 4.81 -0.77 0.45 114.58 119.99 2jdt h GLU 230 Ca 0.04 -0.03 0.06 0.00 -0.13 0.00 0.00 59.36 59.30 2jdt h GLU 230 Cb 0.56 -0.12 -0.06 0.00 0.63 0.00 0.00 28.75 29.76 2jdt h GLU 230 CO -0.21 0.35 0.57 0.52 -0.73 0.00 0.00 179.01 179.51 2jdt h MET 231 N 0.54 1.02 0.02 1.92 2.86 -0.28 0.21 114.93 121.22 2jdt h MET 231 Ca 0.22 -0.06 -0.29 0.00 -2.06 0.00 0.00 59.70 57.51 2jdt h MET 231 Cb 0.10 -0.23 -0.04 0.00 0.06 0.00 0.00 31.60 31.49 2jdt h MET 231 CO -0.14 0.68 -1.68 0.00 1.06 0.00 0.00 176.91 176.83 2jdt h ALA 232 N 1.41 0.69 0.10 6.32 0.00 -0.69 0.16 119.26 127.25 2jdt h ALA 232 Ca 0.39 -1.40 -0.31 0.00 0.00 0.00 0.00 54.91 53.59 2jdt h ALA 232 Cb 0.14 0.46 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 2jdt h ALA 232 CO -0.16 1.51 -1.59 0.00 0.00 0.00 0.00 179.25 179.01 2jdt h ALA 233 N 0.87 0.36 0.00 0.00 0.00 -0.16 -3.41 119.26 116.92 2jdt h ALA 233 Ca -0.28 -1.18 0.00 0.00 0.00 0.00 0.00 54.91 53.45 2jdt h ALA 233 Cb 2.00 0.34 0.00 0.00 0.00 0.00 0.00 17.79 20.13 2jdt h ALA 233 CO 0.09 1.22 0.00 0.41 0.00 0.00 0.00 179.25 180.97 2jdt n GLY 234 N 1.68 1.04 3.20 0.00 0.00 0.72 -4.81 105.19 107.02 2jdt n GLY 234 Ca -0.18 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.73 2jdt n GLY 234 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2jdt s TYR 235 N -2.26 1.03 0.59 1.61 -0.85 -1.24 -4.89 117.35 111.33 2jdt s TYR 235 Ca 0.00 -1.01 -0.14 0.00 -0.52 0.00 0.00 57.07 55.40 2jdt s TYR 235 Cb 0.00 -0.59 -0.05 0.00 0.38 0.00 0.00 41.96 41.70 2jdt s TYR 235 CO 0.00 -0.23 1.02 -2.14 -1.52 0.00 0.00 175.55 172.68 2jdt s PRO 236 N -3.90 3.57 0.49 -3.49 0.02 -1.26 -3.71 135.00 126.72 2jdt s PRO 236 Ca 0.19 0.92 0.21 0.00 0.02 0.00 0.00 61.00 62.35 2jdt s PRO 236 Cb 0.06 -2.08 1.25 0.00 0.02 0.00 0.00 34.50 33.75 2jdt s PRO 236 CO 0.00 -0.59 2.03 -1.00 -0.33 0.00 0.00 177.00 177.12 2jdt h PRO 237 N 0.17 0.00 -3.62 5.54 0.13 -1.92 -3.37 132.00 128.93 2jdt h PRO 237 Ca -0.45 0.00 -0.54 0.00 -0.87 0.00 0.00 66.00 64.14 2jdt h PRO 237 Cb 1.20 0.00 -0.40 0.00 0.13 0.00 0.00 31.00 31.93 2jdt h PRO 237 CO 0.60 0.15 -0.77 -0.06 -0.23 0.00 0.00 178.00 177.70 2jdt s PHE 238 N -4.40 1.29 0.03 1.56 0.08 -1.26 -4.77 117.98 110.52 2jdt s PHE 238 Ca -0.03 -1.13 -0.00 0.00 0.12 0.00 0.00 56.93 55.89 2jdt s PHE 238 Cb 0.14 -1.22 -0.03 0.00 -0.57 0.00 0.00 43.02 41.35 2jdt s PHE 238 CO 0.64 -0.69 -0.03 -0.59 -0.10 0.00 0.00 175.22 174.45 2jdt s PHE 239 N 1.77 0.40 0.35 0.36 -0.12 -1.26 -4.76 117.98 114.71 2jdt s PHE 239 Ca 0.01 -0.73 -0.16 0.00 -0.05 0.00 0.00 56.93 55.99 2jdt s PHE 239 Cb -0.17 -0.28 0.06 0.00 -0.63 0.00 0.00 43.02 42.00 2jdt s PHE 239 CO -0.12 -0.25 0.85 0.00 -0.05 0.00 0.00 175.22 175.65 2jdt n ALA 240 N 1.02 -1.99 0.15 1.99 0.00 -1.26 -4.87 120.51 115.54 2jdt n ALA 240 Ca -0.20 -1.22 0.03 0.00 0.00 0.00 0.00 53.44 52.05 2jdt n ALA 240 Cb 0.57 0.92 0.09 0.00 0.00 0.00 0.00 19.45 21.03 2jdt n ALA 240 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 2jdt h ASP 241 N 1.99 0.00 -4.29 0.00 3.32 -2.02 -3.46 116.42 111.96 2jdt h ASP 241 Ca -0.32 0.00 -0.54 0.00 0.02 0.00 0.00 57.03 56.19 2jdt h ASP 241 Cb 1.23 0.00 -0.26 0.00 0.22 0.00 0.00 39.33 40.53 2jdt h ASP 241 CO 0.41 0.50 -0.83 -1.10 -1.72 0.00 0.00 179.24 176.50 2jdt s GLN 242 N -3.09 1.26 0.28 3.56 -1.52 -1.26 -5.07 119.66 113.82 2jdt s GLN 242 Ca 0.03 -0.87 0.01 0.00 -1.95 0.00 0.00 55.36 52.58 2jdt s GLN 242 Cb 0.08 -1.34 0.66 0.00 -0.22 0.00 0.00 33.01 32.19 2jdt s GLN 242 CO 0.73 0.34 1.67 -1.35 -0.25 0.00 0.00 175.29 176.43 2jdt h PRO 243 N 4.94 0.26 -0.76 2.91 0.11 -2.00 -2.08 132.00 135.39 2jdt h PRO 243 Ca -0.41 -0.02 0.06 0.00 0.11 0.00 0.00 66.00 65.74 2jdt h PRO 243 Cb 1.16 -0.06 -0.06 0.00 0.11 0.00 0.00 31.00 32.16 2jdt h PRO 243 CO 0.44 0.17 0.45 -0.84 -0.21 0.00 0.00 178.00 178.02 2jdt h ILE 244 N 0.27 1.01 -0.30 4.15 3.07 -1.99 0.98 117.51 124.70 2jdt h ILE 244 Ca 0.52 -0.29 -0.07 0.00 1.55 0.00 0.00 64.86 66.57 2jdt h ILE 244 Cb 1.00 0.10 -0.02 0.00 -0.27 0.00 0.00 36.82 37.64 2jdt h ILE 244 CO -0.59 0.15 -0.12 1.56 -1.05 0.00 0.00 178.15 178.11 2jdt h GLN 245 N 0.84 0.51 -0.26 0.16 4.20 -1.82 -2.39 115.11 116.35 2jdt h GLN 245 Ca 0.33 -0.15 -0.05 0.00 0.06 0.00 0.00 58.65 58.85 2jdt h GLN 245 Cb 0.17 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 27.88 2jdt h GLN 245 CO -0.17 0.63 -0.02 0.82 -0.67 0.00 0.00 178.83 179.42 2jdt h ILE 246 N 0.48 1.26 -0.81 2.54 2.04 -0.52 -2.95 117.51 119.55 2jdt h ILE 246 Ca 0.09 -0.96 -0.00 0.00 1.00 0.00 0.00 64.86 64.98 2jdt h ILE 246 Cb 0.49 1.37 -0.04 0.00 -0.74 0.00 0.00 36.82 37.89 2jdt h ILE 246 CO 0.03 0.30 0.49 1.88 0.00 0.00 0.00 178.15 180.85 2jdt h TYR 247 N 0.25 1.06 -0.31 1.37 0.05 -0.68 -1.10 116.97 117.62 2jdt h TYR 247 Ca 0.07 0.00 0.04 0.00 0.05 0.00 0.00 58.73 58.90 2jdt h TYR 247 Cb 0.45 -0.35 -0.04 0.00 1.01 0.00 0.00 36.73 37.80 2jdt h TYR 247 CO 0.04 0.71 0.06 0.93 -1.05 0.00 0.00 178.16 178.85 2jdt h GLU 248 N 1.12 0.17 0.17 4.88 5.08 -1.43 -0.91 114.58 123.65 2jdt h GLU 248 Ca 0.29 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.63 2jdt h GLU 248 Cb -0.05 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.17 2jdt h GLU 248 CO -0.05 0.11 -0.08 0.87 -1.00 0.00 0.00 179.01 178.86 2jdt h LYS 249 N 0.17 -0.22 -0.63 2.33 1.57 -1.18 -1.14 116.57 117.48 2jdt h LYS 249 Ca 0.14 0.01 0.09 0.00 -1.87 0.00 0.00 60.65 59.02 2jdt h LYS 249 Cb 0.15 0.05 -0.07 0.00 0.08 0.00 0.00 32.23 32.44 2jdt h LYS 249 CO -0.19 -0.10 0.28 0.82 -0.57 0.00 0.00 179.45 179.69 2jdt h ILE 250 N -0.28 0.82 0.00 1.86 2.04 -1.12 -2.32 117.51 118.52 2jdt h ILE 250 Ca -0.02 -0.17 0.00 0.00 1.00 0.00 0.00 64.86 65.67 2jdt h ILE 250 Cb 0.22 0.29 0.00 0.00 -0.74 0.00 0.00 36.82 36.59 2jdt h ILE 250 CO 0.04 0.09 0.00 -0.37 0.00 0.00 0.00 178.15 177.91 2jdt h VAL 251 N 0.49 0.00 0.00 1.67 -1.51 -0.93 -3.19 116.25 112.78 2jdt h VAL 251 Ca 0.31 -0.45 -0.06 0.00 -1.23 0.00 0.00 66.70 65.28 2jdt h VAL 251 Cb 0.34 1.39 -0.01 0.00 -2.13 0.00 0.00 31.29 30.88 2jdt h VAL 251 CO -0.27 0.00 -0.27 0.77 -1.23 0.00 0.00 177.57 176.57 2jdt h SER 252 N 0.00 0.00 -2.73 4.19 4.64 -0.62 -3.47 113.55 115.55 2jdt h SER 252 Ca 0.00 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.23 2jdt h SER 252 Cb 0.66 0.00 0.04 0.00 -0.31 0.00 0.00 62.40 62.79 2jdt h SER 252 CO 0.00 0.27 -0.19 0.61 -0.87 0.00 0.00 176.83 176.65 2jdt n GLY 253 N -0.31 0.33 2.94 -0.77 0.00 -1.20 -5.06 105.19 101.11 2jdt n GLY 253 Ca -0.01 -0.36 -0.15 0.00 0.00 0.00 0.00 46.02 45.50 2jdt n GLY 253 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jdt s LYS 254 N -4.59 0.12 -0.03 1.61 1.02 -1.26 -5.10 119.74 111.51 2jdt s LYS 254 Ca 0.04 0.65 0.05 0.00 0.02 0.00 0.00 55.97 56.73 2jdt s LYS 254 Cb -0.02 -0.20 -0.01 0.00 -0.52 0.00 0.00 37.83 37.08 2jdt s LYS 254 CO 0.18 -0.33 -0.18 0.14 -0.92 0.00 0.00 175.35 174.24 2jdt s VAL 255 N 2.38 1.50 -0.17 3.17 -7.23 -1.26 -4.93 120.40 113.87 2jdt s VAL 255 Ca 0.02 -0.78 -0.08 0.00 -1.81 0.00 0.00 61.98 59.33 2jdt s VAL 255 Cb -0.12 -1.28 -0.04 0.00 0.56 0.00 0.00 36.38 35.50 2jdt s VAL 255 CO -0.08 0.43 0.11 -0.13 -0.31 0.00 0.00 175.10 175.12 2jdt s ARG 256 N -0.15 3.89 -0.09 4.82 0.52 -1.26 -5.11 118.95 121.57 2jdt s ARG 256 Ca 0.00 -0.24 -0.06 0.00 -0.52 0.00 0.00 55.73 54.91 2jdt s ARG 256 Cb -0.10 -3.28 -0.04 0.00 0.52 0.00 0.00 34.95 32.05 2jdt s ARG 256 CO 0.01 0.44 0.16 -0.06 0.02 0.00 0.00 175.30 175.87 2jdt s PHE 257 N -0.05 3.59 0.52 -0.53 0.08 -1.26 -4.99 117.98 115.33 2jdt s PHE 257 Ca 0.09 0.51 -0.21 0.00 0.12 0.00 0.00 56.93 57.44 2jdt s PHE 257 Cb -0.12 -1.93 -0.08 0.00 -0.57 0.00 0.00 43.02 40.32 2jdt s PHE 257 CO 0.00 0.71 0.83 -2.30 -0.10 0.00 0.00 175.22 174.36 2jdt n PRO 258 N 1.73 0.92 0.23 0.24 -0.02 -1.26 -4.89 135.00 131.95 2jdt n PRO 258 Ca -0.18 0.34 0.11 0.00 -2.02 0.00 0.00 63.50 61.76 2jdt n PRO 258 Cb 0.54 -1.94 0.71 0.00 -0.02 0.00 0.00 33.50 32.79 2jdt n PRO 258 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 2jdt h SER 259 N 0.80 0.00 1.01 2.55 4.64 -2.03 -1.68 113.55 118.84 2jdt h SER 259 Ca -0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 2jdt h SER 259 Cb 1.37 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.46 2jdt h SER 259 CO 0.52 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.48 2jdt n HIS 260 N -4.34 0.49 -2.02 4.77 1.44 -1.26 -4.81 115.22 109.49 2jdt n HIS 260 Ca -0.01 0.16 -0.42 0.00 -2.01 0.00 0.00 57.72 55.44 2jdt n HIS 260 Cb 0.16 -0.76 -0.03 0.00 0.12 0.00 0.00 29.99 29.48 2jdt n HIS 260 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 2jdt s PHE 261 N -3.11 3.09 0.83 -1.40 0.40 -0.63 -5.00 117.98 112.16 2jdt s PHE 261 Ca 0.09 0.88 -0.11 0.00 -0.60 0.00 0.00 56.93 57.20 2jdt s PHE 261 Cb 0.13 -3.82 0.09 0.00 0.51 0.00 0.00 43.02 39.92 2jdt s PHE 261 CO 0.47 -2.85 1.10 -1.54 0.70 0.00 0.00 175.22 173.10 2jdt s SER 262 N 0.77 3.96 0.20 1.36 1.04 -1.26 -4.85 113.70 114.92 2jdt s SER 262 Ca 0.64 1.84 -0.11 0.00 0.48 0.00 0.00 55.95 58.80 2jdt s SER 262 Cb -0.41 -2.47 0.15 0.00 0.10 0.00 0.00 66.02 63.38 2jdt s SER 262 CO 0.36 -2.39 1.86 0.28 0.98 0.00 0.00 173.24 174.34 2jdt h SER 263 N -1.37 0.77 -0.54 7.02 0.02 -1.98 -1.90 113.55 115.56 2jdt h SER 263 Ca -0.45 -0.01 -0.06 0.00 -0.84 0.00 0.00 61.79 60.43 2jdt h SER 263 Cb 1.25 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 63.58 2jdt h SER 263 CO 0.50 0.55 0.11 0.44 -1.14 0.00 0.00 176.83 177.28 2jdt h ASP 264 N 0.91 0.85 -0.03 3.07 3.32 -1.98 -2.35 116.42 120.20 2jdt h ASP 264 Ca 0.26 -0.25 -0.00 0.00 0.02 0.00 0.00 57.03 57.06 2jdt h ASP 264 Cb -0.07 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 39.26 2jdt h ASP 264 CO -0.07 0.88 0.01 0.25 -1.72 0.00 0.00 179.24 178.59 2jdt h LEU 265 N 0.78 0.04 -1.26 1.55 5.85 -1.82 -0.60 115.31 119.86 2jdt h LEU 265 Ca 0.17 -0.14 0.07 0.00 0.84 0.00 0.00 57.88 58.82 2jdt h LEU 265 Cb 0.38 -0.01 -0.05 0.00 0.37 0.00 0.00 40.66 41.35 2jdt h LEU 265 CO 0.01 0.17 0.54 0.11 -0.34 0.00 0.00 178.44 178.92 2jdt h LYS 266 N -0.09 0.85 -0.07 1.25 1.57 -1.33 -0.50 116.57 118.25 2jdt h LYS 266 Ca 0.01 -0.05 -0.17 0.00 -1.87 0.00 0.00 60.65 58.56 2jdt h LYS 266 Cb 0.14 -0.19 0.01 0.00 0.08 0.00 0.00 32.23 32.27 2jdt h LYS 266 CO -0.00 0.56 -0.64 0.22 -0.57 0.00 0.00 179.45 179.02 2jdt h ASP 267 N 0.88 0.68 -0.58 0.86 1.82 -0.89 -0.69 116.42 118.51 2jdt h ASP 267 Ca 0.36 -0.68 0.10 0.00 -0.39 0.00 0.00 57.03 56.42 2jdt h ASP 267 Cb 0.28 -0.21 -0.08 0.00 0.68 0.00 0.00 39.33 40.01 2jdt h ASP 267 CO -0.14 1.26 0.17 0.25 -1.61 0.00 0.00 179.24 179.18 2jdt h LEU 268 N 0.16 0.11 -0.89 2.28 5.85 -0.85 -2.62 115.31 119.35 2jdt h LEU 268 Ca -0.06 0.09 -0.11 0.00 0.84 0.00 0.00 57.88 58.64 2jdt h LEU 268 Cb 1.30 0.10 -0.01 0.00 0.37 0.00 0.00 40.66 42.42 2jdt h LEU 268 CO 0.13 0.07 -0.37 -0.07 -0.34 0.00 0.00 178.44 177.86 2jdt h LEU 269 N 0.32 0.38 -0.93 2.25 3.38 -0.94 -1.30 115.31 118.46 2jdt h LEU 269 Ca 0.30 -0.15 -0.03 0.00 0.09 0.00 0.00 57.88 58.09 2jdt h LEU 269 Cb 0.40 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 41.01 2jdt h LEU 269 CO -0.34 0.72 0.39 0.03 0.09 0.00 0.00 178.44 179.33 2jdt h ARG 270 N 0.31 1.15 0.00 1.13 3.08 -0.97 0.11 114.38 119.19 2jdt h ARG 270 Ca 0.03 -0.16 -0.02 0.00 0.07 0.00 0.00 59.98 59.90 2jdt h ARG 270 Cb 0.79 -0.21 -0.00 0.00 0.08 0.00 0.00 29.97 30.63 2jdt h ARG 270 CO 0.06 0.88 -0.09 -0.91 -1.07 0.00 0.00 179.97 178.85 2jdt h ASN 271 N 1.14 0.00 0.06 7.04 -0.26 -1.09 -3.28 115.58 119.19 2jdt h ASN 271 Ca 0.28 0.00 -0.22 0.00 -0.56 0.00 0.00 56.30 55.80 2jdt h ASN 271 Cb 0.11 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.36 2jdt h ASN 271 CO -0.04 0.09 -1.15 -0.07 -1.06 0.00 0.00 177.43 175.20 2jdt h LEU 272 N 0.00 0.19 -4.48 1.61 3.38 -1.02 0.10 115.31 115.10 2jdt h LEU 272 Ca -0.00 -0.77 -0.44 0.00 0.09 0.00 0.00 57.88 56.76 2jdt h LEU 272 Cb 1.01 -0.06 -0.14 0.00 0.09 0.00 0.00 40.66 41.55 2jdt h LEU 272 CO 0.01 1.48 0.38 0.18 0.09 0.00 0.00 178.44 180.58 2jdt n LEU 273 N -4.19 6.30 -4.48 1.67 4.77 0.35 -4.15 117.00 117.27 2jdt n LEU 273 Ca -0.25 -3.90 -0.40 0.00 -0.03 0.00 0.00 56.01 51.42 2jdt n LEU 273 Cb 0.76 -1.29 -0.11 0.00 -2.33 0.00 0.00 43.42 40.45 2jdt n LEU 273 CO 0.32 1.75 -0.14 -1.58 -1.33 0.00 0.00 177.39 176.41 2jdt s GLN 274 N -0.94 3.33 0.43 3.23 2.00 -1.24 -4.87 119.66 121.59 2jdt s GLN 274 Ca 0.61 -0.75 0.11 0.00 -2.00 0.00 0.00 55.36 53.33 2jdt s GLN 274 Cb 0.35 -3.76 0.94 0.00 0.80 0.00 0.00 33.01 31.34 2jdt s GLN 274 CO -0.16 -0.50 2.02 0.28 -0.50 0.00 0.00 175.29 176.43 2jdt h VAL 275 N 5.58 1.11 -3.65 1.34 2.07 -1.90 -3.41 116.25 117.39 2jdt h VAL 275 Ca -0.30 -0.41 -0.57 0.00 0.82 0.00 0.00 66.70 66.23 2jdt h VAL 275 Cb 1.15 0.97 -0.07 0.00 -1.52 0.00 0.00 31.29 31.81 2jdt h VAL 275 CO 0.64 0.14 0.86 -0.62 0.02 0.00 0.00 177.57 178.62 2jdt s ASP 276 N -6.88 6.65 0.48 0.57 -1.08 -1.26 -4.92 116.67 110.23 2jdt s ASP 276 Ca -0.06 0.49 0.18 0.00 -0.52 0.00 0.00 52.55 52.65 2jdt s ASP 276 Cb 0.16 -2.53 1.19 0.00 -1.46 0.00 0.00 42.92 40.28 2jdt s ASP 276 CO 0.71 -1.17 2.05 -0.07 0.52 0.00 0.00 175.17 177.21 2jdt h LEU 277 N 10.97 0.00 -1.64 -1.34 3.38 -1.95 -1.25 115.31 123.48 2jdt h LEU 277 Ca -0.23 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.74 2jdt h LEU 277 Cb 1.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.81 2jdt h LEU 277 CO 1.10 0.14 0.00 0.71 0.09 0.00 0.00 178.44 180.47 2jdt h THR 278 N 0.00 0.00 0.00 0.22 1.35 -1.94 -3.12 112.91 109.42 2jdt h THR 278 Ca -0.00 -0.44 0.00 0.00 -0.55 0.00 0.00 66.41 65.42 2jdt h THR 278 Cb 0.26 1.43 0.00 0.00 -1.73 0.00 0.00 68.15 68.11 2jdt h THR 278 CO 0.02 0.00 -0.71 0.29 -0.25 0.00 0.00 175.52 174.87 2jdt n LYS 279 N -3.07 2.96 -2.06 4.72 5.02 -0.64 -4.84 118.16 120.25 2jdt n LYS 279 Ca 0.00 -0.02 -0.42 0.00 -2.02 0.00 0.00 58.31 55.85 2jdt n LYS 279 Cb 0.27 -1.01 -0.03 0.00 -0.02 0.00 0.00 35.03 34.24 2jdt n LYS 279 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 2jdt s ARG 280 N -2.08 4.24 0.65 1.97 3.52 -0.57 -4.93 118.95 121.75 2jdt s ARG 280 Ca 0.02 2.17 -0.18 0.00 -0.13 0.00 0.00 55.73 57.60 2jdt s ARG 280 Cb 0.07 -3.52 -0.01 0.00 -1.56 0.00 0.00 34.95 29.92 2jdt s ARG 280 CO 0.38 -0.63 1.26 1.19 -0.81 0.00 0.00 175.30 176.69 2jdt n PHE 281 N 5.23 1.81 0.00 5.12 3.01 0.35 -2.16 117.46 130.82 2jdt n PHE 281 Ca 0.14 0.42 0.00 0.00 1.01 0.00 0.00 57.45 59.02 2jdt n PHE 281 Cb 0.42 -2.25 0.00 0.00 -0.01 0.00 0.00 39.48 37.63 2jdt n PHE 281 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2jdt n GLY 282 N 0.97 2.73 0.13 1.37 0.00 -1.22 -4.80 105.19 104.36 2jdt n GLY 282 Ca 0.16 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.29 2jdt n GLY 282 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2jdt n ASN 283 N 0.57 1.10 -4.34 1.61 5.15 -0.92 -4.38 115.26 114.06 2jdt n ASN 283 Ca 0.00 -0.93 -0.27 0.00 -0.60 0.00 0.00 54.58 52.78 2jdt n ASN 283 Cb 0.00 0.64 0.16 0.00 -0.53 0.00 0.00 39.78 40.05 2jdt n ASN 283 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 2jdt s LEU 284 N -2.84 2.82 0.39 1.20 1.43 -1.24 -4.88 118.68 115.57 2jdt s LEU 284 Ca 0.12 -0.00 0.12 0.00 -1.03 0.00 0.00 54.13 53.34 2jdt s LEU 284 Cb 0.17 -2.14 0.94 0.00 0.03 0.00 0.00 46.19 45.19 2jdt s LEU 284 CO 0.74 -2.41 1.90 0.50 0.23 0.00 0.00 176.35 177.31 2jdt h LYS 285 N -1.21 0.53 -0.58 1.70 3.11 -1.95 -0.33 116.57 117.84 2jdt h LYS 285 Ca -0.41 -0.03 0.00 0.00 -2.81 0.00 0.00 60.65 57.40 2jdt h LYS 285 Cb 1.25 -0.12 0.00 0.00 -1.00 0.00 0.00 32.23 32.36 2jdt h LYS 285 CO 0.38 0.35 0.00 -1.71 -2.81 0.00 0.00 179.45 175.66 2jdt n ASN 286 N -4.51 3.18 0.00 4.20 2.85 -1.26 -5.01 115.26 114.71 2jdt n ASN 286 Ca 0.15 -2.24 0.00 0.00 -0.11 0.00 0.00 54.58 52.38 2jdt n ASN 286 Cb 0.48 -0.44 0.00 0.00 1.24 0.00 0.00 39.78 41.06 2jdt n ASN 286 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2jdt n GLY 287 N 0.92 2.98 0.21 8.20 0.00 -0.14 -2.42 105.19 114.95 2jdt n GLY 287 Ca 0.17 -0.03 0.14 0.00 0.00 0.00 0.00 46.02 46.30 2jdt n GLY 287 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 2jdt h VAL 288 N 0.00 0.00 -0.01 1.61 3.04 -1.90 -3.13 116.25 115.86 2jdt h VAL 288 Ca 0.00 -0.73 -0.07 0.00 -1.01 0.00 0.00 66.70 64.89 2jdt h VAL 288 Cb 0.00 1.71 -0.01 0.00 -2.01 0.00 0.00 31.29 30.98 2jdt h VAL 288 CO 0.00 0.00 -0.34 0.78 -1.01 0.00 0.00 177.57 177.00 2jdt h ASN 289 N 0.00 0.02 -1.01 3.17 2.35 -1.88 -0.20 115.58 118.03 2jdt h ASN 289 Ca 0.00 -0.01 0.22 0.00 -0.55 0.00 0.00 56.30 55.97 2jdt h ASN 289 Cb 0.78 -0.00 -0.11 0.00 0.05 0.00 0.00 38.32 39.04 2jdt h ASN 289 CO 0.00 0.36 0.62 0.44 -1.65 0.00 0.00 177.43 177.20 2jdt h ASP 290 N 0.02 0.67 0.02 5.81 3.32 -1.58 0.15 116.42 124.82 2jdt h ASP 290 Ca -0.00 0.11 -0.00 0.00 0.02 0.00 0.00 57.03 57.15 2jdt h ASP 290 Cb 0.61 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.16 2jdt h ASP 290 CO 0.05 0.18 -0.01 0.40 -1.72 0.00 0.00 179.24 178.13 2jdt h ILE 291 N 0.62 0.76 -0.74 0.35 2.04 -1.44 -3.27 117.51 115.82 2jdt h ILE 291 Ca 0.60 -1.52 0.14 0.00 1.00 0.00 0.00 64.86 65.08 2jdt h ILE 291 Cb 1.14 1.42 -0.05 0.00 -0.74 0.00 0.00 36.82 38.58 2jdt h ILE 291 CO -0.39 0.25 0.49 0.11 0.00 0.00 0.00 178.15 178.61 2jdt h LYS 292 N -0.99 0.42 -0.67 2.37 1.57 -0.90 -2.35 116.57 116.02 2jdt h LYS 292 Ca -0.00 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 2jdt h LYS 292 Cb 0.43 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.65 2jdt h LYS 292 CO 0.00 0.28 0.00 0.09 -0.57 0.00 0.00 179.45 179.25 2jdt n ASN 293 N -4.48 3.73 -4.76 0.86 3.02 0.50 -4.78 115.26 109.35 2jdt n ASN 293 Ca 0.14 -2.00 -0.35 0.00 -0.03 0.00 0.00 54.58 52.34 2jdt n ASN 293 Cb 0.50 -0.45 0.03 0.00 -0.61 0.00 0.00 39.78 39.25 2jdt n ASN 293 CO 0.00 0.00 0.00 -2.28 -2.62 0.00 0.00 177.26 172.36 2jdt s HIS 294 N -1.11 2.50 0.34 3.10 2.46 -0.89 -4.95 115.29 116.75 2jdt s HIS 294 Ca 0.46 1.54 0.02 0.00 0.47 0.00 0.00 55.06 57.55 2jdt s HIS 294 Cb 0.24 -3.35 0.60 0.00 -0.13 0.00 0.00 32.58 29.94 2jdt s HIS 294 CO 0.32 -1.92 1.99 0.87 -2.47 0.00 0.00 174.74 173.53 2jdt h LYS 295 N 0.72 0.85 -0.60 2.88 1.57 -1.92 -2.44 116.57 117.64 2jdt h LYS 295 Ca -0.49 -0.06 0.12 0.00 -1.87 0.00 0.00 60.65 58.34 2jdt h LYS 295 Cb 1.27 -0.19 -0.03 0.00 0.08 0.00 0.00 32.23 33.36 2jdt h LYS 295 CO 0.55 0.59 0.40 2.35 -0.57 0.00 0.00 179.45 182.77 2jdt h TRP 296 N 0.87 0.35 -0.20 -1.35 7.01 -1.93 -2.09 115.95 118.61 2jdt h TRP 296 Ca 0.23 0.01 0.00 0.00 2.11 0.00 0.00 58.89 61.24 2jdt h TRP 296 Cb -0.06 -0.11 0.00 0.00 -2.10 0.00 0.00 29.16 26.89 2jdt h TRP 296 CO 0.00 0.16 0.00 1.19 -2.79 0.00 0.00 178.44 177.00 2jdt n PHE 297 N -4.46 0.25 0.25 2.65 3.72 -0.92 -4.61 117.46 114.34 2jdt n PHE 297 Ca 0.10 -0.13 0.17 0.00 -0.05 0.00 0.00 57.45 57.55 2jdt n PHE 297 Cb 0.44 0.00 0.89 0.00 -0.94 0.00 0.00 39.48 39.86 2jdt n PHE 297 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2jdt h ALA 298 N 4.30 1.64 0.00 4.37 0.00 -1.34 0.63 119.26 128.87 2jdt h ALA 298 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2jdt h ALA 298 Cb 0.70 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.50 2jdt h ALA 298 CO 0.00 -0.21 -0.01 0.25 0.00 0.00 0.00 179.25 179.28 2jdt n THR 299 N -3.68 0.61 -2.63 0.00 -2.24 -1.26 -4.88 114.28 100.21 2jdt n THR 299 Ca -0.00 -0.30 -0.43 0.00 -2.27 0.00 0.00 64.05 61.06 2jdt n THR 299 Cb 0.26 -0.58 -0.02 0.00 -2.10 0.00 0.00 70.33 67.88 2jdt n THR 299 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 2jdt s THR 300 N -3.11 4.64 -0.54 4.28 2.01 0.22 -4.98 115.64 118.17 2jdt s THR 300 Ca 0.10 1.93 -0.20 0.00 0.31 0.00 0.00 61.69 63.84 2jdt s THR 300 Cb 0.12 -4.24 0.07 0.00 0.01 0.00 0.00 72.50 68.46 2jdt s THR 300 CO 0.60 -0.03 0.69 -0.62 -0.69 0.00 0.00 174.62 174.57 2jdt s ASP 301 N 1.22 6.21 0.26 3.53 -1.08 -1.26 -4.95 116.67 120.61 2jdt s ASP 301 Ca 0.49 -1.05 -0.03 0.00 -0.52 0.00 0.00 52.55 51.45 2jdt s ASP 301 Cb -0.19 -2.31 0.34 0.00 -1.46 0.00 0.00 42.92 39.30 2jdt s ASP 301 CO 0.17 -1.01 1.80 -0.50 0.52 0.00 0.00 175.17 176.14 2jdt h TRP 302 N 9.11 0.91 -0.39 -5.34 4.06 -1.95 -1.31 115.95 121.04 2jdt h TRP 302 Ca -0.28 -0.09 -0.14 0.00 2.06 0.00 0.00 58.89 60.44 2jdt h TRP 302 Cb 1.09 -0.26 -0.01 0.00 -1.00 0.00 0.00 29.16 28.98 2jdt h TRP 302 CO 0.80 0.77 -0.29 0.82 -3.56 0.00 0.00 178.44 176.98 2jdt h ILE 303 N 0.85 1.28 -0.34 1.49 2.04 -1.99 -1.56 117.51 119.28 2jdt h ILE 303 Ca 0.18 -1.46 -0.08 0.00 1.00 0.00 0.00 64.86 64.51 2jdt h ILE 303 Cb 0.32 1.35 -0.02 0.00 -0.74 0.00 0.00 36.82 37.74 2jdt h ILE 303 CO 0.00 0.49 -0.11 0.00 0.00 0.00 0.00 178.15 178.53 2jdt h ALA 304 N 0.79 1.17 0.45 1.87 0.00 -1.88 0.12 119.26 121.78 2jdt h ALA 304 Ca 0.07 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.68 2jdt h ALA 304 Cb 0.87 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.52 2jdt h ALA 304 CO 0.08 0.53 -0.21 0.82 0.00 0.00 0.00 179.25 180.46 2jdt h ILE 305 N 0.54 0.55 -0.77 0.00 1.08 -1.13 0.60 117.51 118.38 2jdt h ILE 305 Ca 0.10 -0.18 0.14 0.00 -0.39 0.00 0.00 64.86 64.53 2jdt h ILE 305 Cb 0.51 0.64 -0.09 0.00 -3.07 0.00 0.00 36.82 34.81 2jdt h ILE 305 CO 0.03 0.03 0.35 0.22 -0.69 0.00 0.00 178.15 178.09 2jdt h TYR 306 N -0.70 0.61 0.00 1.37 3.20 -1.03 -0.69 116.97 119.72 2jdt h TYR 306 Ca -0.06 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.84 2jdt h TYR 306 Cb 0.51 -0.15 0.00 0.00 1.54 0.00 0.00 36.73 38.63 2jdt h TYR 306 CO -0.02 0.12 0.00 1.04 -1.64 0.00 0.00 178.16 177.66 2jdt n GLN 307 N -4.94 0.16 -2.48 1.82 6.02 0.40 -4.90 117.38 113.46 2jdt n GLN 307 Ca 0.15 0.37 -0.12 0.00 -0.01 0.00 0.00 57.00 57.38 2jdt n GLN 307 Cb 0.40 -1.79 0.01 0.00 1.02 0.00 0.00 30.24 29.87 2jdt n GLN 307 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 2jdt n ARG 308 N -2.10 -1.95 -0.04 -1.09 5.12 -0.27 -4.94 116.66 111.40 2jdt n ARG 308 Ca 0.03 0.53 -0.06 0.00 -1.93 0.00 0.00 57.85 56.41 2jdt n ARG 308 Cb 0.24 -4.59 -0.14 0.00 -1.16 0.00 0.00 32.46 26.81 2jdt n ARG 308 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 2jdt n LYS 309 N -2.36 0.65 -1.76 5.56 4.76 0.11 -4.88 118.16 120.24 2jdt n LYS 309 Ca -0.09 0.15 -0.41 0.00 -2.87 0.00 0.00 58.31 55.08 2jdt n LYS 309 Cb 0.58 -1.69 -0.01 0.00 -1.84 0.00 0.00 35.03 32.08 2jdt n LYS 309 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 2jdt n VAL 310 N -2.87 1.49 -2.52 -0.18 0.31 -1.20 -4.96 118.33 108.41 2jdt n VAL 310 Ca -0.20 -0.37 -0.41 0.00 -0.01 0.00 0.00 64.34 63.34 2jdt n VAL 310 Cb 1.02 -2.00 -0.04 0.00 -0.91 0.00 0.00 33.84 31.91 2jdt n VAL 310 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 2jdt s GLU 311 N -1.28 4.55 0.23 5.55 2.56 -1.26 -5.00 118.70 124.05 2jdt s GLU 311 Ca 0.59 1.69 -0.30 0.00 0.00 0.00 0.00 54.97 56.95 2jdt s GLU 311 Cb -0.48 -3.32 -0.09 0.00 2.00 0.00 0.00 34.13 32.25 2jdt s GLU 311 CO 0.56 -0.02 1.12 0.00 -0.56 0.00 0.00 175.26 176.35 2jdt s ALA 312 N 0.26 3.40 -0.52 6.30 0.00 -1.26 -4.92 121.76 125.02 2jdt s ALA 312 Ca 0.52 0.88 0.24 0.00 0.00 0.00 0.00 51.96 53.61 2jdt s ALA 312 Cb -0.28 -3.35 0.95 0.00 0.00 0.00 0.00 23.12 20.44 2jdt s ALA 312 CO 0.32 -0.22 1.73 -0.35 0.00 0.00 0.00 175.76 177.25 2jdt n PRO 313 N 1.81 0.22 -3.71 0.00 -0.04 -1.26 -4.64 135.00 127.39 2jdt n PRO 313 Ca 0.01 0.38 -0.11 0.00 -0.04 0.00 0.00 63.50 63.74 2jdt n PRO 313 Cb 0.45 -1.87 -0.11 0.00 -0.04 0.00 0.00 33.50 31.93 2jdt n PRO 313 CO 0.00 0.00 0.00 0.12 -0.04 0.00 0.00 175.50 175.58 2jdt s PHE 314 N -3.28 -0.53 -0.13 0.54 5.36 -1.26 -5.11 117.98 113.56 2jdt s PHE 314 Ca 0.06 1.17 0.03 0.00 -0.96 0.00 0.00 56.93 57.22 2jdt s PHE 314 Cb 0.10 0.21 0.01 0.00 -0.34 0.00 0.00 43.02 43.00 2jdt s PHE 314 CO 0.44 -0.31 -0.21 0.42 -1.46 0.00 0.00 175.22 174.10 2jdt s ILE 315 N 1.26 1.98 0.45 3.12 1.01 -1.26 -4.44 121.20 123.32 2jdt s ILE 315 Ca -0.09 -0.94 -0.24 0.00 0.00 0.00 0.00 60.65 59.38 2jdt s ILE 315 Cb -0.08 -1.75 -0.09 0.00 0.01 0.00 0.00 42.46 40.55 2jdt s ILE 315 CO -0.11 0.54 1.23 -2.65 0.00 0.00 0.00 174.94 173.95 2jdt n PRO 316 N 4.01 1.76 -2.08 2.79 -0.02 -1.26 -4.90 135.00 135.30 2jdt n PRO 316 Ca -0.20 0.63 -0.42 0.00 -2.02 0.00 0.00 63.50 61.49 2jdt n PRO 316 Cb 0.52 -2.35 -0.03 0.00 -0.02 0.00 0.00 33.50 31.62 2jdt n PRO 316 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 2jdt s LYS 317 N -2.30 4.10 0.05 -0.52 2.20 -1.26 -4.98 119.74 117.03 2jdt s LYS 317 Ca 0.63 2.01 -0.17 0.00 -0.36 0.00 0.00 55.97 58.08 2jdt s LYS 317 Cb -0.50 -3.97 -0.06 0.00 -1.51 0.00 0.00 37.83 31.79 2jdt s LYS 317 CO 0.56 -0.93 0.51 0.12 -0.36 0.00 0.00 175.35 175.24 2jdt s PHE 318 N 4.25 3.77 -0.37 4.03 2.19 -1.26 -4.95 117.98 125.64 2jdt s PHE 318 Ca 0.71 1.16 0.11 0.00 0.33 0.00 0.00 56.93 59.24 2jdt s PHE 318 Cb -0.30 -2.41 0.40 0.00 -1.31 0.00 0.00 43.02 39.40 2jdt s PHE 318 CO 0.27 0.61 1.39 0.36 1.83 0.00 0.00 175.22 179.69 2jdt n LYS 319 N 1.72 1.27 0.00 10.12 2.85 -1.26 -5.14 118.16 127.72 2jdt n LYS 319 Ca -0.12 -1.74 0.00 0.00 -1.05 0.00 0.00 58.31 55.41 2jdt n LYS 319 Cb 0.51 0.01 0.00 0.00 -0.65 0.00 0.00 35.03 34.90 2jdt n LYS 319 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2jdt n GLY 320 N -0.89 3.95 0.28 2.58 0.00 -1.26 -4.59 105.19 105.26 2jdt n GLY 320 Ca -0.07 -1.48 0.15 0.00 0.00 0.00 0.00 46.02 44.62 2jdt n GLY 320 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2jdt h PRO 321 N 0.00 0.00 0.00 1.61 0.13 -2.01 -3.04 132.00 128.69 2jdt h PRO 321 Ca 0.00 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.09 2jdt h PRO 321 Cb 0.00 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 31.04 2jdt h PRO 321 CO 0.00 0.07 -0.53 0.41 -0.23 0.00 0.00 178.00 177.72 2jdt n GLY 322 N -0.79 3.83 3.77 1.56 0.00 -1.26 -4.85 105.19 107.45 2jdt n GLY 322 Ca -0.02 -1.08 -0.38 0.00 0.00 0.00 0.00 46.02 44.54 2jdt n GLY 322 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2jdt s ASP 323 N -2.73 6.54 -0.11 1.61 2.15 -1.15 -4.97 116.67 118.01 2jdt s ASP 323 Ca 0.33 2.36 0.16 0.00 0.43 0.00 0.00 52.55 55.82 2jdt s ASP 323 Cb 0.33 -2.62 0.24 0.00 -0.30 0.00 0.00 42.92 40.57 2jdt s ASP 323 CO -0.07 -0.66 1.13 0.35 -0.17 0.00 0.00 175.17 175.74 2jdt n THR 324 N 0.11 1.73 0.33 1.71 -2.24 -1.26 -4.80 114.28 109.87 2jdt n THR 324 Ca 0.04 -2.03 0.15 0.00 -2.27 0.00 0.00 64.05 59.94 2jdt n THR 324 Cb 0.46 -0.10 0.62 0.00 -2.10 0.00 0.00 70.33 69.21 2jdt n THR 324 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 2jdt h SER 325 N 0.03 0.00 -0.19 3.42 4.64 -1.93 -1.41 113.55 118.11 2jdt h SER 325 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2jdt h SER 325 Cb 0.92 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.01 2jdt h SER 325 CO 0.00 0.00 0.00 0.59 -0.87 0.00 0.00 176.83 176.55 2jdt n ASN 326 N -2.70 1.58 -4.43 4.97 3.02 -1.26 -4.83 115.26 111.61 2jdt n ASN 326 Ca 0.01 -1.76 -0.28 0.00 -0.03 0.00 0.00 54.58 52.52 2jdt n ASN 326 Cb 0.26 -0.12 -0.12 0.00 -0.61 0.00 0.00 39.78 39.18 2jdt n ASN 326 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 2jdt s PHE 327 N -1.75 2.36 0.76 3.10 0.08 -0.53 -4.51 117.98 117.48 2jdt s PHE 327 Ca 0.30 -0.35 -0.12 0.00 0.12 0.00 0.00 56.93 56.88 2jdt s PHE 327 Cb 0.16 -1.21 0.05 0.00 -0.57 0.00 0.00 43.02 41.44 2jdt s PHE 327 CO 0.23 0.43 1.13 -0.51 -0.10 0.00 0.00 175.22 176.40 2jdt s ASP 328 N -2.40 4.98 -0.08 1.36 1.01 -1.26 -5.03 116.67 115.25 2jdt s ASP 328 Ca 0.18 1.00 -0.12 0.00 0.71 0.00 0.00 52.55 54.32 2jdt s ASP 328 Cb -0.09 -1.67 -0.05 0.00 1.01 0.00 0.00 42.92 42.12 2jdt s ASP 328 CO 0.09 -1.63 0.29 -1.81 0.21 0.00 0.00 175.17 172.32 2jdt s ASP 329 N -4.41 6.59 0.09 0.27 1.01 -1.26 -4.84 116.67 114.12 2jdt s ASP 329 Ca 0.60 0.70 0.07 0.00 0.71 0.00 0.00 52.55 54.62 2jdt s ASP 329 Cb -0.11 -2.18 -0.03 0.00 1.01 0.00 0.00 42.92 41.61 2jdt s ASP 329 CO 0.51 0.30 -0.18 -0.31 0.21 0.00 0.00 175.17 175.70 2jdt s TYR 330 N -0.70 1.52 0.29 4.23 1.51 -1.26 -5.12 117.35 117.81 2jdt s TYR 330 Ca 0.19 -0.44 -0.29 0.00 -1.01 0.00 0.00 57.07 55.52 2jdt s TYR 330 Cb -0.14 -0.84 -0.10 0.00 -0.11 0.00 0.00 41.96 40.77 2jdt s TYR 330 CO 0.08 0.13 1.21 -1.83 -1.11 0.00 0.00 175.55 174.03 2jdt s GLU 331 N -1.83 4.50 0.44 -0.62 -1.05 -1.26 -4.82 118.70 114.05 2jdt s GLU 331 Ca 0.02 2.00 -0.12 0.00 -0.15 0.00 0.00 54.97 56.72 2jdt s GLU 331 Cb -0.10 -3.15 -0.07 0.00 -0.44 0.00 0.00 34.13 30.38 2jdt s GLU 331 CO 0.03 -0.01 0.83 -1.21 0.95 0.00 0.00 175.26 175.85 2jdt s GLU 332 N -1.39 3.81 -0.02 -4.83 0.41 -1.26 -5.00 118.70 110.42 2jdt s GLU 332 Ca 0.48 0.59 -0.06 0.00 -0.41 0.00 0.00 54.97 55.56 2jdt s GLU 332 Cb -0.36 -2.32 0.01 0.00 -1.78 0.00 0.00 34.13 29.68 2jdt s GLU 332 CO 0.45 -0.11 0.14 -1.21 -0.49 0.00 0.00 175.26 174.04 2jdt s GLU 333 N -3.94 0.34 0.40 1.61 2.02 -1.26 -5.14 118.70 112.72 2jdt s GLU 333 Ca 0.53 -0.14 -0.25 0.00 0.02 0.00 0.00 54.97 55.13 2jdt s GLU 333 Cb -0.10 0.15 -0.11 0.00 0.10 0.00 0.00 34.13 34.17 2jdt s GLU 333 CO 0.32 -0.07 1.08 -0.85 0.02 0.00 0.00 175.26 175.76 2jdt n GLU 334 N 2.13 1.53 -3.06 1.61 0.28 -1.26 -4.95 120.64 116.92 2jdt n GLU 334 Ca -0.18 0.54 -0.43 0.00 -0.16 0.00 0.00 57.16 56.93 2jdt n GLU 334 Cb 0.57 -2.10 -0.05 0.00 1.43 0.00 0.00 31.44 31.28 2jdt n GLU 334 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 177.13 177.39 2jdt s ILE 335 N -1.22 4.72 -0.16 3.84 1.01 -1.26 -5.05 121.20 123.08 2jdt s ILE 335 Ca 0.61 -0.32 -0.08 0.00 0.00 0.00 0.00 60.65 60.86 2jdt s ILE 335 Cb -0.57 -4.39 -0.04 0.00 0.01 0.00 0.00 42.46 37.47 2jdt s ILE 335 CO 0.58 -0.94 0.12 -0.60 0.00 0.00 0.00 174.94 174.10 2jdt s ARG 336 N 3.04 3.84 0.00 2.79 3.52 -1.26 -5.21 118.95 125.66 2jdt s ARG 336 Ca 0.19 -0.21 0.00 0.00 -0.13 0.00 0.00 55.73 55.58 2jdt s ARG 336 Cb -0.18 -3.28 0.00 0.00 -1.56 0.00 0.00 34.95 29.93 2jdt s ARG 336 CO 0.13 0.49 0.00 0.28 -0.81 0.00 0.00 175.30 175.39 2jdt n VAL 337 N 2.91 0.00 0.35 7.11 0.31 -1.26 -4.83 118.33 122.92 2jdt n VAL 337 Ca -0.18 0.00 0.04 0.00 -0.01 0.00 0.00 64.34 64.19 2jdt n VAL 337 Cb 0.53 -0.55 -0.02 0.00 -0.91 0.00 0.00 33.84 32.90 2jdt n VAL 337 CO 0.00 0.00 0.00 2.30 -1.32 0.00 0.00 176.83 177.81 2jdt n ILE 339 N -0.15 0.00 -4.76 2.52 -5.35 -1.26 -4.97 119.36 105.39 2jdt n ILE 339 Ca 0.00 -0.39 -0.33 0.00 -0.27 0.00 0.00 62.75 61.76 2jdt n ILE 339 Cb 0.00 1.06 -0.12 0.00 -1.74 0.00 0.00 39.64 38.84 2jdt n ILE 339 CO 0.00 0.00 0.00 0.20 -1.76 0.00 0.00 176.55 174.99 2jdt s ASN 340 N -1.35 4.30 -0.01 7.28 0.01 -1.26 -5.10 114.94 118.81 2jdt s ASN 340 Ca 0.05 -0.14 -0.30 0.00 -0.71 0.00 0.00 52.86 51.76 2jdt s ASN 340 Cb 0.06 -1.09 -0.05 0.00 0.41 0.00 0.00 41.25 40.58 2jdt s ASN 340 CO 0.23 0.33 1.31 -0.70 -1.51 0.00 0.00 177.10 176.76 2jdt s GLU 341 N -0.61 4.32 -0.12 -0.60 2.12 -1.26 -4.62 118.70 117.93 2jdt s GLU 341 Ca 0.09 1.85 -0.06 0.00 0.36 0.00 0.00 54.97 57.21 2jdt s GLU 341 Cb -0.11 -3.53 -0.04 0.00 0.26 0.00 0.00 34.13 30.70 2jdt s GLU 341 CO 0.01 -0.50 0.11 0.15 -0.54 0.00 0.00 175.26 174.50 2jdt s LYS 342 N 2.15 3.40 -1.34 4.30 -0.14 -0.26 -4.66 119.74 123.20 2jdt s LYS 342 Ca 0.61 -0.20 -0.07 0.00 -1.36 0.00 0.00 55.97 54.95 2jdt s LYS 342 Cb -0.29 -3.12 0.04 0.00 -1.68 0.00 0.00 37.83 32.78 2jdt s LYS 342 CO 0.25 0.73 0.46 0.00 -0.76 0.00 0.00 175.35 176.03 2jdt h GLY 344 N -0.97 1.11 0.79 0.00 0.00 -1.94 -2.72 103.07 99.35 2jdt h GLY 344 Ca -0.44 -0.18 -0.07 0.00 0.00 0.00 0.00 47.33 46.63 2jdt h GLY 344 CO 0.52 -0.02 -0.16 1.70 0.00 0.00 0.00 176.54 178.57 2jdt h LYS 345 N 0.52 0.42 -0.85 4.80 3.64 -1.98 -1.01 116.57 122.10 2jdt h LYS 345 Ca 0.38 -0.22 0.12 0.00 -1.27 0.00 0.00 60.65 59.67 2jdt h LYS 345 Cb 0.51 0.01 -0.06 0.00 -0.41 0.00 0.00 32.23 32.27 2jdt h LYS 345 CO -0.34 0.78 0.55 0.93 -2.27 0.00 0.00 179.45 179.10 2jdt h GLU 346 N 0.08 0.69 -0.20 1.90 3.07 -1.89 -2.95 114.58 115.29 2jdt h GLU 346 Ca 0.03 -0.04 -0.02 0.00 -0.50 0.00 0.00 59.36 58.83 2jdt h GLU 346 Cb 0.70 -0.16 -0.01 0.00 -0.84 0.00 0.00 28.75 28.44 2jdt h GLU 346 CO 0.04 0.46 -0.01 1.19 -1.40 0.00 0.00 179.01 179.29 2jdt n PHE 347 N -4.54 0.70 -0.25 4.33 3.72 -1.05 -4.74 117.46 115.63 2jdt n PHE 347 Ca 0.16 -0.98 0.06 0.00 -0.05 0.00 0.00 57.45 56.64 2jdt n PHE 347 Cb 0.41 -0.29 0.19 0.00 -0.94 0.00 0.00 39.48 38.85 2jdt n PHE 347 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 2jdt h SER 348 N 1.26 0.05 0.95 4.37 0.87 -1.00 -0.33 113.55 119.72 2jdt h SER 348 Ca 0.02 0.14 0.00 0.00 -1.23 0.00 0.00 61.79 60.72 2jdt h SER 348 Cb 1.34 0.18 0.00 0.00 -0.44 0.00 0.00 62.40 63.49 2jdt h SER 348 CO 0.18 -0.02 0.00 -1.84 -0.53 0.00 0.00 176.83 174.62 2jdt n GLU 349 N -5.14 0.05 0.00 2.24 0.28 -1.26 -5.08 120.64 111.72 2jdt n GLU 349 Ca 0.14 0.00 0.01 0.00 -0.16 0.00 0.00 57.16 57.16 2jdt n GLU 349 Cb 0.46 -1.50 0.08 0.00 1.43 0.00 0.00 31.44 31.91 2jdt n GLU 349 CO 0.00 0.00 0.00 0.34 -0.16 0.00 0.00 177.13 177.31