#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jma n TYR 2 N 0.00 0.83 -3.50 5.58 4.02 -1.26 -5.12 117.16 117.71 1jma n TYR 2 Ca 0.00 -2.06 -0.40 0.00 -0.01 0.00 0.00 57.90 55.43 1jma n TYR 2 Cb 0.00 -0.23 -0.10 0.00 -0.02 0.00 0.00 39.34 38.99 1jma n TYR 2 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1jma s ALA 3 N -2.74 3.52 0.36 -0.72 0.00 -1.26 -5.04 121.76 115.88 1jma s ALA 3 Ca 0.03 -1.19 -0.28 0.00 0.00 0.00 0.00 51.96 50.51 1jma s ALA 3 Cb 0.00 -2.66 -0.11 0.00 0.00 0.00 0.00 23.12 20.35 1jma s ALA 3 CO 0.02 -0.84 1.52 1.28 0.00 0.00 0.00 175.76 177.74 1jma n LEU 4 N 5.19 4.72 -4.82 0.00 4.32 -1.26 -1.41 117.00 123.73 1jma n LEU 4 Ca -0.12 1.21 -0.36 0.00 -0.02 0.00 0.00 56.01 56.72 1jma n LEU 4 Cb 0.50 -1.62 -0.06 0.00 -1.62 0.00 0.00 43.42 40.63 1jma n LEU 4 CO 0.37 0.17 0.36 0.00 -1.22 0.00 0.00 177.39 177.06 1jma s ALA 5 N -0.87 3.47 0.21 -1.18 0.00 0.32 -4.70 121.76 119.01 1jma s ALA 5 Ca 0.55 0.07 -0.32 0.00 0.00 0.00 0.00 51.96 52.26 1jma s ALA 5 Cb -0.48 -2.72 -0.13 0.00 0.00 0.00 0.00 23.12 19.78 1jma s ALA 5 CO 0.61 0.37 1.53 -3.47 0.00 0.00 0.00 175.76 174.80 1jma n ASP 6 N 0.83 3.12 0.21 0.00 -0.08 -1.26 -4.87 116.55 114.50 1jma n ASP 6 Ca -0.04 1.11 0.07 0.00 -1.51 0.00 0.00 54.79 54.42 1jma n ASP 6 Cb 0.51 -1.45 0.59 0.00 2.34 0.00 0.00 41.12 43.11 1jma n ASP 6 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1jma h ALA 7 N 5.28 1.92 -0.06 -1.67 0.00 -1.98 -2.76 119.26 119.99 1jma h ALA 7 Ca -0.45 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.45 1jma h ALA 7 Cb 1.25 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.01 1jma h ALA 7 CO 0.84 0.07 0.04 0.66 0.00 0.00 0.00 179.25 180.86 1jma h SER 8 N 0.09 0.04 0.22 0.00 4.64 -1.94 -2.36 113.55 114.24 1jma h SER 8 Ca 0.02 -0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.33 1jma h SER 8 Cb 0.02 -0.01 -0.00 0.00 -0.31 0.00 0.00 62.40 62.10 1jma h SER 8 CO -0.00 0.03 -0.07 -0.07 -0.87 0.00 0.00 176.83 175.85 1jma h LEU 9 N 0.05 0.00 -1.75 5.97 3.38 -1.87 -3.17 115.31 117.93 1jma h LEU 9 Ca 0.02 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 1jma h LEU 9 Cb 0.04 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 1jma h LEU 9 CO -0.00 0.07 0.02 0.11 0.09 0.00 0.00 178.44 178.72 1jma h LYS 10 N 0.00 0.17 -4.88 1.13 1.57 -1.60 -3.20 116.57 109.76 1jma h LYS 10 Ca -0.00 -0.02 -0.45 0.00 -1.87 0.00 0.00 60.65 58.31 1jma h LYS 10 Cb 0.20 -0.03 -0.13 0.00 0.08 0.00 0.00 32.23 32.34 1jma h LYS 10 CO 0.01 0.18 -0.52 0.00 -0.57 0.00 0.00 179.45 178.55 1jma s MET 11 N -5.05 1.69 0.71 3.15 0.23 -1.20 -2.00 119.30 116.83 1jma s MET 11 Ca -0.06 -1.98 -0.16 0.00 -1.03 0.00 0.00 55.69 52.46 1jma s MET 11 Cb 0.17 0.17 -0.05 0.00 -1.53 0.00 0.00 34.83 33.58 1jma s MET 11 CO 0.70 -0.58 0.45 0.00 -2.03 0.00 0.00 175.02 173.56 1jma n ALA 12 N -0.61 -1.70 -2.21 3.16 0.00 -1.26 -4.86 120.51 113.03 1jma n ALA 12 Ca 0.05 -0.23 -0.42 0.00 0.00 0.00 0.00 53.44 52.83 1jma n ALA 12 Cb 0.63 -1.80 -0.03 0.00 0.00 0.00 0.00 19.45 18.25 1jma n ALA 12 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1jma s ASP 13 N -1.41 6.83 0.46 0.00 -1.08 -1.26 -4.87 116.67 115.34 1jma s ASP 13 Ca 0.64 2.07 0.32 0.00 -0.52 0.00 0.00 52.55 55.06 1jma s ASP 13 Cb -0.36 -2.55 1.60 0.00 -1.46 0.00 0.00 42.92 40.15 1jma s ASP 13 CO 0.59 -0.77 1.96 1.55 0.52 0.00 0.00 175.17 179.03 1jma h PRO 14 N 8.22 0.00 -0.01 4.34 0.14 -1.95 -2.86 132.00 139.87 1jma h PRO 14 Ca -0.36 0.00 0.00 0.00 0.14 0.00 0.00 66.00 65.78 1jma h PRO 14 Cb 1.17 0.00 0.00 0.00 0.14 0.00 0.00 31.00 32.31 1jma h PRO 14 CO 0.92 0.00 -0.59 0.09 0.14 0.00 0.00 178.00 178.56 1jma n ASN 15 N -2.66 1.35 -0.16 1.44 3.02 -1.26 -4.60 115.26 112.38 1jma n ASN 15 Ca -0.01 -1.18 -0.09 0.00 -0.03 0.00 0.00 54.58 53.27 1jma n ASN 15 Cb 0.12 0.71 0.00 0.00 -0.61 0.00 0.00 39.78 40.01 1jma n ASN 15 CO 0.00 0.00 0.00 -0.09 -2.62 0.00 0.00 177.26 174.55 1jma h ARG 16 N 1.12 0.75 -3.34 3.52 2.43 -1.91 -3.35 114.38 113.59 1jma h ARG 16 Ca 0.00 -0.17 -0.78 0.00 -0.81 0.00 0.00 59.98 58.21 1jma h ARG 16 Cb 0.53 -0.10 -0.29 0.00 -0.42 0.00 0.00 29.97 29.69 1jma h ARG 16 CO 0.00 0.73 0.44 1.19 -1.51 0.00 0.00 179.97 180.82 1jma n PHE 17 N -4.50 4.40 -1.05 2.20 3.01 -1.26 -5.04 117.46 115.22 1jma n PHE 17 Ca 0.01 -3.64 -0.13 0.00 1.01 0.00 0.00 57.45 54.70 1jma n PHE 17 Cb 0.21 -1.50 0.10 0.00 -0.01 0.00 0.00 39.48 38.28 1jma n PHE 17 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 1jma n ARG 18 N 2.26 -1.30 0.00 -1.08 3.00 -1.26 -4.99 116.66 113.29 1jma n ARG 18 Ca 0.24 -0.83 0.00 0.00 -0.01 0.00 0.00 57.85 57.26 1jma n ARG 18 Cb 0.37 -0.66 0.00 0.00 0.00 0.00 0.00 32.46 32.17 1jma n ARG 18 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1jma n GLY 19 N 0.20 1.43 0.26 -0.13 0.00 -1.26 -4.74 105.19 100.94 1jma n GLY 19 Ca 0.07 -1.15 0.12 0.00 0.00 0.00 0.00 46.02 45.06 1jma n GLY 19 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1jma h LYS 20 N 0.00 0.00 0.03 1.61 1.57 -2.04 -3.14 116.57 114.60 1jma h LYS 20 Ca 0.00 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.64 1jma h LYS 20 Cb 0.00 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.32 1jma h LYS 20 CO 0.00 0.13 -0.56 -0.44 -0.57 0.00 0.00 179.45 178.01 1jma h ASP 21 N 0.00 0.45 -1.00 0.86 3.32 -2.00 -3.46 116.42 114.58 1jma h ASP 21 Ca -0.00 -0.81 -0.87 0.00 0.02 0.00 0.00 57.03 55.37 1jma h ASP 21 Cb 0.35 -0.14 0.01 0.00 0.22 0.00 0.00 39.33 39.77 1jma h ASP 21 CO 0.02 1.20 0.64 0.18 -1.72 0.00 0.00 179.24 179.55 1jma n LEU 22 N -4.26 1.11 -4.77 1.55 4.32 -1.19 -4.86 117.00 108.89 1jma n LEU 22 Ca -0.11 1.19 -0.40 0.00 -0.02 0.00 0.00 56.01 56.67 1jma n LEU 22 Cb 0.67 -0.88 0.02 0.00 -1.62 0.00 0.00 43.42 41.60 1jma n LEU 22 CO 0.45 -0.93 1.07 -2.84 -1.22 0.00 0.00 177.39 173.92 1jma s PRO 23 N 2.74 3.68 0.45 3.23 0.02 -1.26 -4.91 135.00 138.95 1jma s PRO 23 Ca 1.04 2.42 -0.23 0.00 0.02 0.00 0.00 61.00 64.25 1jma s PRO 23 Cb -1.48 -2.65 -0.08 0.00 0.02 0.00 0.00 34.50 30.31 1jma s PRO 23 CO 0.80 -0.82 1.16 0.54 -0.33 0.00 0.00 177.00 178.35 1jma s VAL 24 N -1.20 3.12 -0.37 3.83 0.11 -1.26 -5.01 120.40 119.62 1jma s VAL 24 Ca 0.61 0.85 -0.07 0.00 -2.93 0.00 0.00 61.98 60.45 1jma s VAL 24 Cb -0.44 -3.44 0.06 0.00 -1.53 0.00 0.00 36.38 31.04 1jma s VAL 24 CO 0.56 -0.00 0.16 -0.22 -3.33 0.00 0.00 175.10 172.28 1jma s LEU 25 N -2.96 4.69 0.81 2.54 0.20 -1.26 -5.09 118.68 117.61 1jma s LEU 25 Ca 0.63 -1.39 -0.11 0.00 0.69 0.00 0.00 54.13 53.95 1jma s LEU 25 Cb -0.29 -1.89 0.08 0.00 -0.43 0.00 0.00 46.19 43.66 1jma s LEU 25 CO 0.35 -0.42 1.09 -1.81 -0.29 0.00 0.00 176.35 175.27 1jma s ASP 26 N 1.69 4.34 0.06 3.68 1.01 -1.26 -5.06 116.67 121.12 1jma s ASP 26 Ca 0.01 1.36 -0.07 0.00 0.71 0.00 0.00 52.55 54.56 1jma s ASP 26 Cb -0.21 -2.09 -0.01 0.00 1.01 0.00 0.00 42.92 41.62 1jma s ASP 26 CO 0.01 -2.08 0.14 -1.58 0.21 0.00 0.00 175.17 171.87 1jma s GLN 27 N -5.10 0.70 0.22 8.23 2.00 -1.26 -5.03 119.66 119.40 1jma s GLN 27 Ca 0.61 -0.84 0.07 0.00 -2.00 0.00 0.00 55.36 53.20 1jma s GLN 27 Cb -0.15 0.28 -0.04 0.00 0.80 0.00 0.00 33.01 33.90 1jma s GLN 27 CO 0.55 -0.19 0.09 -0.51 -0.50 0.00 0.00 175.29 174.73 1jma s LEU 28 N -2.43 3.57 0.53 3.68 2.01 -1.26 -5.14 118.68 119.64 1jma s LEU 28 Ca -0.01 -0.34 0.07 0.00 0.01 0.00 0.00 54.13 53.86 1jma s LEU 28 Cb 0.02 -2.14 0.04 0.00 0.01 0.00 0.00 46.19 44.11 1jma s LEU 28 CO -0.07 0.03 0.48 0.42 1.01 0.00 0.00 176.35 178.22 1jma s THR 29 N -1.99 1.93 0.61 5.49 -4.23 -1.26 -4.82 115.64 111.38 1jma s THR 29 Ca 0.31 -1.36 -0.15 0.00 -1.18 0.00 0.00 61.69 59.31 1jma s THR 29 Cb -0.08 -2.29 -0.03 0.00 1.34 0.00 0.00 72.50 71.44 1jma s THR 29 CO 0.22 0.00 1.07 -1.81 -0.54 0.00 0.00 174.62 173.56 1jma s ASP 30 N -4.34 5.63 0.96 3.99 1.01 -1.26 -5.00 116.67 117.66 1jma s ASP 30 Ca 0.43 1.84 -0.11 0.00 0.71 0.00 0.00 52.55 55.42 1jma s ASP 30 Cb -0.03 -2.53 0.17 0.00 1.01 0.00 0.00 42.92 41.53 1jma s ASP 30 CO 0.26 -1.27 1.10 -2.84 0.21 0.00 0.00 175.17 172.63 1jma s PRO 31 N -4.13 0.69 0.31 8.23 0.02 -1.26 -4.88 135.00 133.97 1jma s PRO 31 Ca 0.64 1.21 -0.29 0.00 0.02 0.00 0.00 61.00 62.58 1jma s PRO 31 Cb -0.17 -1.71 -0.12 0.00 0.02 0.00 0.00 34.50 32.52 1jma s PRO 31 CO 0.39 -2.75 1.42 -2.30 -0.33 0.00 0.00 177.00 173.43 1jma n PRO 32 N -4.28 2.32 -1.22 5.54 -0.02 -1.26 -2.93 135.00 133.15 1jma n PRO 32 Ca 0.08 0.82 -0.01 0.00 -2.02 0.00 0.00 63.50 62.38 1jma n PRO 32 Cb 0.53 -2.49 -0.00 0.00 -0.02 0.00 0.00 33.50 31.52 1jma n PRO 32 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1jma n GLY 33 N 1.42 0.41 3.24 -1.23 0.00 -1.26 -5.04 105.19 102.73 1jma n GLY 33 Ca 0.07 -1.03 -0.33 0.00 0.00 0.00 0.00 46.02 44.74 1jma n GLY 33 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1jma s VAL 34 N -2.02 2.37 -0.07 1.61 1.01 -1.15 -4.55 120.40 117.60 1jma s VAL 34 Ca 0.00 -0.89 0.06 0.00 0.00 0.00 0.00 61.98 61.14 1jma s VAL 34 Cb 0.00 -1.96 -0.01 0.00 0.00 0.00 0.00 36.38 34.42 1jma s VAL 34 CO 0.00 0.54 -0.25 0.00 0.00 0.00 0.00 175.10 175.40 1jma s ARG 35 N 0.57 2.66 -0.03 2.72 1.70 0.22 -4.90 118.95 121.89 1jma s ARG 35 Ca -0.12 -0.89 -0.18 0.00 -0.47 0.00 0.00 55.73 54.07 1jma s ARG 35 Cb -0.16 -2.18 -0.05 0.00 -0.57 0.00 0.00 34.95 31.98 1jma s ARG 35 CO 0.04 0.32 0.51 1.03 -1.08 0.00 0.00 175.30 176.13 1jma s ARG 36 N -0.02 4.22 0.15 3.89 1.81 -1.25 -1.29 118.95 126.45 1jma s ARG 36 Ca -0.08 0.58 0.08 0.00 -1.72 0.00 0.00 55.73 54.59 1jma s ARG 36 Cb -0.15 -3.33 -0.04 0.00 -0.45 0.00 0.00 34.95 30.98 1jma s ARG 36 CO 0.05 0.41 -0.18 0.08 -0.68 0.00 0.00 175.30 174.98 1jma s VAL 37 N -0.26 1.71 0.19 3.52 1.01 0.81 -0.52 120.40 126.87 1jma s VAL 37 Ca 0.28 -1.81 -0.01 0.00 0.00 0.00 0.00 61.98 60.43 1jma s VAL 37 Cb -0.17 -1.73 -0.08 0.00 0.00 0.00 0.00 36.38 34.40 1jma s VAL 37 CO 0.14 -0.28 1.47 1.88 0.00 0.00 0.00 175.10 178.31 1jma h TYR 38 N 3.46 0.56 -3.98 5.22 -1.99 -1.52 -0.96 116.97 117.76 1jma h TYR 38 Ca -0.43 -0.23 -0.12 0.00 2.00 0.00 0.00 58.73 59.96 1jma h TYR 38 Cb 1.20 -0.10 -0.13 0.00 2.00 0.00 0.00 36.73 39.70 1jma h TYR 38 CO 0.66 0.96 -0.40 -1.01 -0.00 0.00 0.00 178.16 178.38 1jma s HIS 39 N -3.76 0.45 0.12 4.88 3.76 -1.26 -4.72 115.29 114.76 1jma s HIS 39 Ca -0.06 -0.83 0.00 0.00 -0.15 0.00 0.00 55.06 54.02 1jma s HIS 39 Cb 0.11 -0.14 0.00 0.00 1.11 0.00 0.00 32.58 33.65 1jma s HIS 39 CO 0.83 -0.64 0.00 -0.89 -0.85 0.00 0.00 174.74 173.19 1jma n ILE 40 N -0.16 0.00 -3.37 0.60 5.41 -1.26 -4.67 119.36 115.92 1jma n ILE 40 Ca -0.08 0.00 -0.29 0.00 1.00 0.00 0.00 62.75 63.37 1jma n ILE 40 Cb 0.63 -0.28 -0.03 0.00 -0.71 0.00 0.00 39.64 39.24 1jma n ILE 40 CO 0.00 0.00 0.00 -1.10 0.00 0.00 0.00 176.55 175.45 1jma s GLN 41 N -2.00 3.65 0.18 0.38 -1.52 -1.26 -5.01 119.66 114.07 1jma s GLN 41 Ca 0.00 0.03 -0.09 0.00 -1.95 0.00 0.00 55.36 53.34 1jma s GLN 41 Cb 0.00 -2.66 0.05 0.00 -0.22 0.00 0.00 33.01 30.18 1jma s GLN 41 CO 0.00 0.24 1.62 0.00 -0.25 0.00 0.00 175.29 176.90 1jma h ALA 42 N 1.84 0.79 -2.91 6.09 0.00 -1.98 -3.48 119.26 119.61 1jma h ALA 42 Ca -0.47 -0.33 -0.07 0.00 0.00 0.00 0.00 54.91 54.04 1jma h ALA 42 Cb 1.19 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.75 1jma h ALA 42 CO 0.67 0.67 -0.03 0.41 0.00 0.00 0.00 179.25 180.96 1jma n GLY 43 N -0.36 2.73 3.78 0.00 0.00 -1.26 -4.69 105.19 105.39 1jma n GLY 43 Ca 0.02 -1.41 -0.35 0.00 0.00 0.00 0.00 46.02 44.29 1jma n GLY 43 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1jma s LEU 44 N 0.00 3.77 0.60 0.99 1.43 -0.15 -4.97 118.68 120.36 1jma s LEU 44 Ca 0.08 2.14 -0.17 0.00 -1.03 0.00 0.00 54.13 55.14 1jma s LEU 44 Cb -0.00 -4.57 -0.03 0.00 0.03 0.00 0.00 46.19 41.61 1jma s LEU 44 CO 0.06 -1.14 1.13 -2.84 0.23 0.00 0.00 176.35 173.79 1jma s PRO 45 N -3.27 3.03 -0.39 1.29 0.02 -1.26 -4.82 135.00 129.60 1jma s PRO 45 Ca 0.72 1.55 -0.19 0.00 0.02 0.00 0.00 61.00 63.10 1jma s PRO 45 Cb -0.23 -1.97 0.01 0.00 0.02 0.00 0.00 34.50 32.34 1jma s PRO 45 CO 0.26 -1.10 0.53 0.34 -0.33 0.00 0.00 177.00 176.70 1jma s ASP 46 N -2.10 6.29 0.18 2.53 -1.08 -1.26 -4.92 116.67 116.31 1jma s ASP 46 Ca 0.71 -0.27 0.22 0.00 -0.52 0.00 0.00 52.55 52.69 1jma s ASP 46 Cb -0.23 -2.27 0.89 0.00 -1.46 0.00 0.00 42.92 39.85 1jma s ASP 46 CO 0.34 -0.58 1.68 -2.65 0.52 0.00 0.00 175.17 174.48 1jma n PRO 47 N 5.84 0.15 0.00 4.34 -0.02 -1.26 -2.73 135.00 141.32 1jma n PRO 47 Ca -0.05 0.34 0.13 0.00 -2.02 0.00 0.00 63.50 61.90 1jma n PRO 47 Cb 0.48 -1.77 0.24 0.00 -0.02 0.00 0.00 33.50 32.44 1jma n PRO 47 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 1jma n PHE 48 N -2.05 0.00 -2.46 6.00 3.01 -1.26 -4.91 117.46 115.79 1jma n PHE 48 Ca 0.03 0.00 -0.41 0.00 1.01 0.00 0.00 57.45 58.08 1jma n PHE 48 Cb 0.25 -0.01 -0.04 0.00 -0.01 0.00 0.00 39.48 39.67 1jma n PHE 48 CO 0.00 0.00 0.00 1.14 1.01 0.00 0.00 176.76 178.91 1jma s GLN 49 N -2.06 4.53 0.22 -1.08 -2.07 -1.11 -4.95 119.66 113.14 1jma s GLN 49 Ca 0.30 1.76 -0.31 0.00 -1.82 0.00 0.00 55.36 55.29 1jma s GLN 49 Cb 0.20 -3.29 -0.11 0.00 -1.09 0.00 0.00 33.01 28.72 1jma s GLN 49 CO 0.34 -0.04 1.64 -2.14 -1.32 0.00 0.00 175.29 173.78 1jma s PRO 50 N -0.02 4.15 0.82 9.60 0.02 -1.26 -4.96 135.00 143.35 1jma s PRO 50 Ca 0.52 2.53 -0.11 0.00 0.02 0.00 0.00 61.00 63.97 1jma s PRO 50 Cb -0.30 -3.08 0.08 0.00 0.02 0.00 0.00 34.50 31.22 1jma s PRO 50 CO 0.34 -0.67 1.10 -2.14 -0.33 0.00 0.00 177.00 175.29 1jma s PRO 51 N 0.65 1.90 0.00 5.54 0.02 -1.26 -4.90 135.00 136.95 1jma s PRO 51 Ca 0.70 1.12 0.00 0.00 0.02 0.00 0.00 61.00 62.84 1jma s PRO 51 Cb -0.48 -1.86 0.00 0.00 0.02 0.00 0.00 34.50 32.18 1jma s PRO 51 CO 0.37 -1.88 0.88 0.43 -0.33 0.00 0.00 177.00 176.47 1jma n SER 52 N -3.68 0.16 -3.53 2.53 7.64 -0.13 -4.79 113.62 111.82 1jma n SER 52 Ca 0.09 -1.93 -0.11 0.00 1.01 0.00 0.00 58.87 57.93 1jma n SER 52 Cb 0.53 -0.08 -0.04 0.00 -1.01 0.00 0.00 64.21 63.61 1jma n SER 52 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 1jma s LEU 53 N -0.83 -0.41 0.44 -3.43 0.20 -1.26 -4.95 118.68 108.45 1jma s LEU 53 Ca 0.00 0.25 -0.26 0.00 0.69 0.00 0.00 54.13 54.81 1jma s LEU 53 Cb 0.00 2.05 -0.09 0.00 -0.43 0.00 0.00 46.19 47.73 1jma s LEU 53 CO 0.00 -0.52 1.42 -2.84 -0.29 0.00 0.00 176.35 174.12 1jma s PRO 54 N -2.12 3.75 -0.22 0.98 0.02 -1.26 -4.74 135.00 131.41 1jma s PRO 54 Ca 0.00 2.42 -0.21 0.00 0.02 0.00 0.00 61.00 63.23 1jma s PRO 54 Cb -0.01 -2.69 -0.02 0.00 0.02 0.00 0.00 34.50 31.80 1jma s PRO 54 CO -0.03 -0.77 0.66 0.42 -0.33 0.00 0.00 177.00 176.95 1jma s ILE 55 N -1.20 4.99 0.08 2.83 1.01 -1.26 -4.88 121.20 122.76 1jma s ILE 55 Ca 0.60 1.22 -0.03 0.00 0.00 0.00 0.00 60.65 62.44 1jma s ILE 55 Cb -0.44 -3.96 -0.05 0.00 0.01 0.00 0.00 42.46 38.02 1jma s ILE 55 CO 0.56 0.06 0.27 -0.89 0.00 0.00 0.00 174.94 174.95 1jma s THR 56 N 2.21 5.30 -0.19 2.92 2.01 -1.26 -4.97 115.64 121.66 1jma s THR 56 Ca 0.29 -0.14 0.01 0.00 0.31 0.00 0.00 61.69 62.16 1jma s THR 56 Cb -0.16 -3.61 0.03 0.00 0.01 0.00 0.00 72.50 68.77 1jma s THR 56 CO 0.10 0.15 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.31 1jma s VAL 57 N -1.51 2.01 0.41 3.82 1.01 -1.26 -1.32 120.40 123.56 1jma s VAL 57 Ca 0.35 -1.03 0.08 0.00 0.00 0.00 0.00 61.98 61.39 1jma s VAL 57 Cb -0.13 -1.88 0.00 0.00 0.00 0.00 0.00 36.38 34.37 1jma s VAL 57 CO 0.24 0.42 0.52 -0.31 0.00 0.00 0.00 175.10 175.97 1jma s TYR 58 N 1.28 2.81 0.12 5.22 1.51 0.18 -4.93 117.35 123.53 1jma s TYR 58 Ca 0.02 -0.41 0.08 0.00 -1.01 0.00 0.00 57.07 55.76 1jma s TYR 58 Cb -0.14 -2.31 -0.04 0.00 -0.11 0.00 0.00 41.96 39.37 1jma s TYR 58 CO -0.11 -0.32 -0.20 -0.47 -1.11 0.00 0.00 175.55 173.33 1jma s TYR 59 N -2.37 1.80 -0.05 2.71 5.04 0.38 -0.85 117.35 124.01 1jma s TYR 59 Ca 0.53 -0.43 -0.04 0.00 -2.44 0.00 0.00 57.07 54.69 1jma s TYR 59 Cb -0.08 -0.96 0.02 0.00 0.35 0.00 0.00 41.96 41.28 1jma s TYR 59 CO 0.32 0.24 0.12 0.00 -1.34 0.00 0.00 175.55 174.88 1jma s ALA 60 N -1.38 -0.27 -0.13 3.97 0.00 0.08 0.67 121.76 124.70 1jma s ALA 60 Ca 0.09 0.42 0.00 0.00 0.00 0.00 0.00 51.96 52.47 1jma s ALA 60 Cb -0.09 -0.26 0.02 0.00 0.00 0.00 0.00 23.12 22.79 1jma s ALA 60 CO 0.05 -0.08 -0.12 0.08 0.00 0.00 0.00 175.76 175.68 1jma s VAL 61 N 0.39 1.40 -0.78 0.00 1.01 -1.26 -0.68 120.40 120.48 1jma s VAL 61 Ca -0.03 -0.53 -0.25 0.00 0.00 0.00 0.00 61.98 61.17 1jma s VAL 61 Cb -0.04 -1.33 0.04 0.00 0.00 0.00 0.00 36.38 35.05 1jma s VAL 61 CO -0.02 0.43 1.25 -0.22 0.00 0.00 0.00 175.10 176.54 1jma s LEU 62 N 1.50 3.50 0.10 3.92 2.96 -0.26 -4.88 118.68 125.52 1jma s LEU 62 Ca 0.04 -0.78 -0.17 0.00 -0.22 0.00 0.00 54.13 52.99 1jma s LEU 62 Cb -0.13 -2.53 -0.07 0.00 0.50 0.00 0.00 46.19 43.96 1jma s LEU 62 CO -0.09 -1.68 1.54 -0.33 -1.32 0.00 0.00 176.35 174.46 1jma h GLU 63 N 9.86 0.51 -5.85 1.98 4.39 -1.93 -2.37 114.58 121.18 1jma h GLU 63 Ca -0.18 -0.16 -0.67 0.00 0.34 0.00 0.00 59.36 58.69 1jma h GLU 63 Cb 1.05 -0.05 -0.20 0.00 -0.10 0.00 0.00 28.75 29.45 1jma h GLU 63 CO 1.28 0.66 -0.69 1.03 -1.16 0.00 0.00 179.01 180.13 1jma s ARG 64 N -5.01 3.06 0.47 2.33 0.52 -1.26 -4.26 118.95 114.80 1jma s ARG 64 Ca -0.13 -0.54 0.19 0.00 -0.52 0.00 0.00 55.73 54.72 1jma s ARG 64 Cb 0.08 -2.69 1.19 0.00 0.52 0.00 0.00 34.95 34.06 1jma s ARG 64 CO 0.76 0.52 1.97 0.00 0.02 0.00 0.00 175.30 178.57 1jma h ALA 65 N 5.74 2.25 -0.71 2.13 0.00 -1.91 -2.60 119.26 124.16 1jma h ALA 65 Ca -0.42 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.48 1jma h ALA 65 Cb 1.18 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1jma h ALA 65 CO 0.55 -0.42 0.00 0.00 0.00 0.00 0.00 179.25 179.39 1jma n ARG 67 N 1.59 1.64 -4.36 0.00 5.12 -0.98 -4.37 116.66 115.29 1jma n ARG 67 Ca 0.24 0.00 -0.19 0.00 -1.93 0.00 0.00 57.85 55.97 1jma n ARG 67 Cb 0.61 0.00 -0.10 0.00 -1.16 0.00 0.00 32.46 31.81 1jma n ARG 67 CO 0.00 0.00 0.00 -1.12 -1.93 0.00 0.00 177.63 174.58 1jma s SER 68 N -1.00 2.63 -0.02 0.55 0.01 -1.26 -0.86 113.70 113.74 1jma s SER 68 Ca 0.00 -1.05 0.04 0.00 1.31 0.00 0.00 55.95 56.25 1jma s SER 68 Cb 0.00 -0.15 -0.01 0.00 0.21 0.00 0.00 66.02 66.08 1jma s SER 68 CO 0.00 -0.19 -0.15 -0.69 0.41 0.00 0.00 173.24 172.62 1jma s VAL 69 N -2.97 1.22 -0.32 3.43 1.01 -0.47 -0.77 120.40 121.53 1jma s VAL 69 Ca 0.24 -0.63 0.02 0.00 0.00 0.00 0.00 61.98 61.60 1jma s VAL 69 Cb -0.00 -1.03 0.08 0.00 0.00 0.00 0.00 36.38 35.43 1jma s VAL 69 CO 0.08 0.35 0.02 -0.22 0.00 0.00 0.00 175.10 175.33 1jma s LEU 70 N -0.17 4.32 -0.39 3.92 2.96 0.39 -1.62 118.68 128.08 1jma s LEU 70 Ca 0.02 -1.79 -0.28 0.00 -0.22 0.00 0.00 54.13 51.86 1jma s LEU 70 Cb -0.08 -1.64 0.02 0.00 0.50 0.00 0.00 46.19 44.99 1jma s LEU 70 CO 0.00 -0.33 1.04 -0.76 -1.32 0.00 0.00 176.35 174.98 1jma s LEU 71 N 1.04 3.86 0.01 -0.68 1.43 0.32 -3.25 118.68 121.41 1jma s LEU 71 Ca 0.02 0.66 -0.28 0.00 -1.03 0.00 0.00 54.13 53.50 1jma s LEU 71 Cb -0.20 -3.44 0.08 0.00 0.03 0.00 0.00 46.19 42.67 1jma s LEU 71 CO -0.06 -1.00 0.72 0.21 0.23 0.00 0.00 176.35 176.45 1jma s ASN 72 N 2.02 -0.56 0.19 2.29 3.04 -1.26 -1.00 114.94 119.65 1jma s ASN 72 Ca 0.43 0.35 -0.23 0.00 0.04 0.00 0.00 52.86 53.45 1jma s ASN 72 Cb -0.10 0.51 0.05 0.00 -1.54 0.00 0.00 41.25 40.17 1jma s ASN 72 CO 0.22 -0.70 0.73 0.00 -3.04 0.00 0.00 177.10 174.32 1jma s ALA 73 N -2.28 -1.49 0.64 1.71 0.00 -1.26 -4.25 121.76 114.84 1jma s ALA 73 Ca -0.04 0.18 -0.18 0.00 0.00 0.00 0.00 51.96 51.93 1jma s ALA 73 Cb -0.01 0.78 -0.03 0.00 0.00 0.00 0.00 23.12 23.87 1jma s ALA 73 CO -0.01 -0.91 1.02 -2.30 0.00 0.00 0.00 175.76 173.56 1jma n PRO 74 N -0.41 0.84 -4.09 0.00 -0.02 -1.26 -5.00 135.00 125.06 1jma n PRO 74 Ca -0.09 0.33 -0.12 0.00 -2.02 0.00 0.00 63.50 61.60 1jma n PRO 74 Cb 0.62 -2.24 -0.11 0.00 -0.02 0.00 0.00 33.50 31.75 1jma n PRO 74 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1jma s SER 75 N -1.36 0.89 0.14 2.55 0.15 -1.26 -5.04 113.70 109.77 1jma s SER 75 Ca 0.77 -0.72 0.20 0.00 0.70 0.00 0.00 55.95 56.90 1jma s SER 75 Cb -0.39 0.07 -0.06 0.00 -1.71 0.00 0.00 66.02 63.92 1jma s SER 75 CO 0.46 -0.31 0.95 -0.33 1.20 0.00 0.00 173.24 175.20 1jma h GLU 76 N 3.95 0.00 -0.89 5.44 4.39 -2.01 -3.39 114.58 122.06 1jma h GLU 76 Ca -0.35 0.00 0.19 0.00 0.34 0.00 0.00 59.36 59.54 1jma h GLU 76 Cb 1.19 0.00 -0.17 0.00 -0.10 0.00 0.00 28.75 29.67 1jma h GLU 76 CO 0.50 0.14 -0.15 0.00 -1.16 0.00 0.00 179.01 178.33 1jma h ALA 77 N 1.72 0.71 -0.35 3.43 0.00 -1.97 0.10 119.26 122.90 1jma h ALA 77 Ca -0.08 0.33 0.04 0.00 0.00 0.00 0.00 54.91 55.20 1jma h ALA 77 Cb 1.28 0.63 -0.04 0.00 0.00 0.00 0.00 17.79 19.67 1jma h ALA 77 CO 0.02 -0.43 0.13 -1.35 0.00 0.00 0.00 179.25 177.63 1jma h PRO 78 N 0.01 0.27 -0.07 0.00 0.11 -2.02 -1.98 132.00 128.33 1jma h PRO 78 Ca 0.45 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 66.50 1jma h PRO 78 Cb 0.75 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 31.79 1jma h PRO 78 CO -0.89 0.18 -0.17 0.37 -0.21 0.00 0.00 178.00 177.29 1jma h GLN 79 N 0.28 0.10 -0.53 1.05 5.75 -1.17 -2.17 115.11 118.42 1jma h GLN 79 Ca 0.16 -0.02 -0.02 0.00 -0.15 0.00 0.00 58.65 58.62 1jma h GLN 79 Cb 0.12 -0.01 -0.03 0.00 1.07 0.00 0.00 27.48 28.63 1jma h GLN 79 CO -0.15 0.27 0.26 0.82 -2.65 0.00 0.00 178.83 177.39 1jma h ILE 80 N 0.10 1.17 0.25 2.39 1.08 -0.21 -1.25 117.51 121.04 1jma h ILE 80 Ca 0.02 -0.47 -0.01 0.00 -0.39 0.00 0.00 64.86 64.00 1jma h ILE 80 Cb 0.36 0.49 0.00 0.00 -3.07 0.00 0.00 36.82 34.60 1jma h ILE 80 CO 0.02 0.20 -0.12 0.58 -0.69 0.00 0.00 178.15 178.14 1jma h VAL 81 N 0.74 0.45 -0.00 1.67 2.07 -1.18 -3.25 116.25 116.75 1jma h VAL 81 Ca 0.19 -0.92 0.03 0.00 0.82 0.00 0.00 66.70 66.82 1jma h VAL 81 Cb 0.06 0.75 -0.05 0.00 -1.52 0.00 0.00 31.29 30.54 1jma h VAL 81 CO -0.03 0.12 -0.33 0.03 0.02 0.00 0.00 177.57 177.38 1jma h ARG 82 N -0.99 -0.46 0.00 1.57 3.08 -1.48 -2.08 114.38 114.02 1jma h ARG 82 Ca -0.03 0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1jma h ARG 82 Cb 0.45 0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.60 1jma h ARG 82 CO 0.06 -0.31 0.00 0.41 -1.07 0.00 0.00 179.97 179.06 1jma n GLY 83 N -1.42 -0.26 3.72 0.04 0.00 -0.48 -4.81 105.19 101.99 1jma n GLY 83 Ca -0.05 -0.02 -0.42 0.00 0.00 0.00 0.00 46.02 45.53 1jma n GLY 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jma s ALA 84 N -2.00 3.63 1.18 4.61 0.00 -0.79 -5.01 121.76 123.37 1jma s ALA 84 Ca 0.05 1.21 -0.17 0.00 0.00 0.00 0.00 51.96 53.04 1jma s ALA 84 Cb 0.02 -3.55 0.27 0.00 0.00 0.00 0.00 23.12 19.87 1jma s ALA 84 CO 0.03 -0.66 1.07 -1.54 0.00 0.00 0.00 175.76 174.67 1jma s SER 85 N 0.85 1.08 0.11 0.00 1.04 -1.26 -4.68 113.70 110.84 1jma s SER 85 Ca 0.63 0.93 -0.16 0.00 0.48 0.00 0.00 55.95 57.83 1jma s SER 85 Cb -0.39 -1.39 -0.04 0.00 0.10 0.00 0.00 66.02 64.30 1jma s SER 85 CO 0.34 -4.06 1.57 -0.08 0.98 0.00 0.00 173.24 171.99 1jma h GLU 86 N -2.53 0.59 0.34 4.02 4.57 -1.95 0.16 114.58 119.77 1jma h GLU 86 Ca -0.50 -0.17 -0.01 0.00 -1.18 0.00 0.00 59.36 57.50 1jma h GLU 86 Cb 1.32 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 29.83 1jma h GLU 86 CO 0.43 0.68 -0.31 -0.44 -1.18 0.00 0.00 179.01 178.19 1jma h ASP 87 N 0.41 -0.85 -0.01 1.04 3.45 -2.01 -2.29 116.42 116.16 1jma h ASP 87 Ca 0.10 0.07 0.02 0.00 0.43 0.00 0.00 57.03 57.65 1jma h ASP 87 Cb 0.40 0.27 -0.03 0.00 -0.56 0.00 0.00 39.33 39.42 1jma h ASP 87 CO 0.01 -0.42 -0.11 0.58 -1.57 0.00 0.00 179.24 177.73 1jma h VAL 88 N -0.64 0.72 0.00 -1.35 2.07 -1.94 -2.00 116.25 113.11 1jma h VAL 88 Ca -0.04 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.48 1jma h VAL 88 Cb 0.55 0.72 0.00 0.00 -1.52 0.00 0.00 31.29 31.04 1jma h VAL 88 CO -0.02 0.00 0.30 -1.14 0.02 0.00 0.00 177.57 176.72 1jma n ARG 89 N -5.24 0.06 -0.06 1.57 0.63 0.57 -1.95 116.66 112.24 1jma n ARG 89 Ca -0.05 0.47 -0.14 0.00 -0.92 0.00 0.00 57.85 57.21 1jma n ARG 89 Cb 0.16 -1.98 -0.06 0.00 0.45 0.00 0.00 32.46 31.03 1jma n ARG 89 CO 0.00 0.00 0.00 1.57 -2.51 0.00 0.00 177.63 176.69 1jma h LYS 90 N 0.00 0.53 -5.31 -0.14 2.10 -0.76 -3.44 116.57 109.55 1jma h LYS 90 Ca 0.00 -0.32 -0.60 0.00 -2.00 0.00 0.00 60.65 57.74 1jma h LYS 90 Cb 0.60 0.03 -0.12 0.00 -0.90 0.00 0.00 32.23 31.84 1jma h LYS 90 CO 0.00 0.91 -0.44 -1.14 -2.00 0.00 0.00 179.45 176.79 1jma s GLN 91 N -4.16 4.19 0.97 0.07 2.00 -0.82 -5.07 119.66 116.84 1jma s GLN 91 Ca -0.13 -0.13 -0.14 0.00 -2.00 0.00 0.00 55.36 52.95 1jma s GLN 91 Cb 0.07 -3.44 -0.02 0.00 0.80 0.00 0.00 33.01 30.42 1jma s GLN 91 CO 0.80 0.24 0.01 -2.30 -0.50 0.00 0.00 175.29 173.54 1jma n PRO 92 N 3.67 -0.26 -4.38 1.67 -0.02 -1.26 -4.97 135.00 129.44 1jma n PRO 92 Ca -0.15 -0.05 -0.24 0.00 -2.02 0.00 0.00 63.50 61.04 1jma n PRO 92 Cb 0.52 -1.59 -0.09 0.00 -0.02 0.00 0.00 33.50 32.32 1jma n PRO 92 CO 0.00 0.00 0.00 1.52 1.98 0.00 0.00 175.50 179.00 1jma s TYR 93 N -2.27 2.50 -0.01 6.00 -0.85 -0.37 -4.80 117.35 117.55 1jma s TYR 93 Ca 0.52 -0.36 -0.01 0.00 -0.52 0.00 0.00 57.07 56.69 1jma s TYR 93 Cb -0.19 -1.28 -0.04 0.00 0.38 0.00 0.00 41.96 40.83 1jma s TYR 93 CO 0.72 0.58 0.10 -0.80 -1.52 0.00 0.00 175.55 174.63 1jma s ASN 94 N -3.64 5.79 -0.01 -0.18 0.01 -1.26 -1.81 114.94 113.84 1jma s ASN 94 Ca 0.33 0.18 0.02 0.00 -0.71 0.00 0.00 52.86 52.68 1jma s ASN 94 Cb -0.03 -1.69 -0.01 0.00 0.41 0.00 0.00 41.25 39.93 1jma s ASN 94 CO 0.18 0.27 -0.08 -0.22 -1.51 0.00 0.00 177.10 175.75 1jma s LEU 95 N -1.74 2.01 -0.02 0.60 2.96 -0.36 -1.49 118.68 120.64 1jma s LEU 95 Ca 0.23 -0.14 0.01 0.00 -0.22 0.00 0.00 54.13 54.01 1jma s LEU 95 Cb -0.12 -0.39 0.01 0.00 0.50 0.00 0.00 46.19 46.19 1jma s LEU 95 CO 0.14 0.09 -0.02 -0.89 -1.32 0.00 0.00 176.35 174.36 1jma s THR 96 N -0.17 0.23 -0.09 3.68 2.01 -0.67 0.10 115.64 120.72 1jma s THR 96 Ca 0.03 -0.02 0.01 0.00 0.31 0.00 0.00 61.69 62.02 1jma s THR 96 Cb -0.03 -0.27 0.02 0.00 0.01 0.00 0.00 72.50 72.23 1jma s THR 96 CO -0.00 0.12 -0.10 -0.63 -0.69 0.00 0.00 174.62 173.31 1jma s ILE 97 N 0.57 1.12 -0.01 1.82 1.01 0.08 -1.02 121.20 124.77 1jma s ILE 97 Ca -0.06 -0.40 -0.06 0.00 0.00 0.00 0.00 60.65 60.13 1jma s ILE 97 Cb -0.09 -1.07 0.00 0.00 0.01 0.00 0.00 42.46 41.31 1jma s ILE 97 CO -0.01 0.37 0.12 0.00 0.00 0.00 0.00 174.94 175.42 1jma s ALA 98 N 1.18 -0.29 0.04 9.38 0.00 -0.51 -0.27 121.76 131.29 1jma s ALA 98 Ca -0.05 -0.04 0.09 0.00 0.00 0.00 0.00 51.96 51.97 1jma s ALA 98 Cb -0.14 0.02 -0.03 0.00 0.00 0.00 0.00 23.12 22.97 1jma s ALA 98 CO -0.03 -0.17 -0.25 -1.58 0.00 0.00 0.00 175.76 173.74 1jma s TRP 99 N -1.01 2.21 0.04 0.00 0.52 -0.26 -0.75 118.94 119.71 1jma s TRP 99 Ca -0.11 -0.40 0.02 0.00 0.02 0.00 0.00 56.10 55.62 1jma s TRP 99 Cb -0.06 -1.33 -0.02 0.00 -1.15 0.00 0.00 33.47 30.91 1jma s TRP 99 CO 0.01 0.11 -0.06 -0.06 0.02 0.00 0.00 176.95 176.97 1jma s PHE 100 N -0.80 0.58 -0.27 -1.98 0.40 -0.42 -0.55 117.98 114.95 1jma s PHE 100 Ca 0.11 -0.55 -0.12 0.00 -0.60 0.00 0.00 56.93 55.77 1jma s PHE 100 Cb -0.10 -0.36 -0.05 0.00 0.51 0.00 0.00 43.02 43.03 1jma s PHE 100 CO 0.02 -0.12 0.23 0.50 0.70 0.00 0.00 175.22 176.55 1jma s ARG 101 N -1.77 3.98 0.26 0.44 6.06 0.03 -1.10 118.95 126.85 1jma s ARG 101 Ca -0.09 -0.22 -0.21 0.00 -2.50 0.00 0.00 55.73 52.71 1jma s ARG 101 Cb -0.08 -3.64 -0.09 0.00 0.06 0.00 0.00 34.95 31.19 1jma s ARG 101 CO -0.01 -0.18 0.78 -1.64 -2.50 0.00 0.00 175.30 171.76 1jma s MET 102 N 1.75 4.31 0.00 5.12 -1.94 0.23 -0.69 119.30 128.08 1jma s MET 102 Ca 0.09 0.97 0.00 0.00 -1.71 0.00 0.00 55.69 55.04 1jma s MET 102 Cb -0.16 -2.81 0.00 0.00 2.01 0.00 0.00 34.83 33.87 1jma s MET 102 CO 0.10 0.34 0.00 0.41 -0.01 0.00 0.00 175.02 175.86 1jma n GLY 103 N 0.57 4.74 3.56 -0.03 0.00 -0.08 -4.60 105.19 109.36 1jma n GLY 103 Ca -0.01 -1.68 -0.41 0.00 0.00 0.00 0.00 46.02 43.93 1jma n GLY 103 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1jma s GLY 104 N -0.59 0.87 -1.13 -0.02 0.00 -1.26 -3.43 107.32 101.76 1jma s GLY 104 Ca 0.00 -1.06 -0.05 0.00 0.00 0.00 0.00 44.72 43.60 1jma s GLY 104 CO 0.00 2.72 0.72 -2.01 0.00 0.00 0.00 173.10 174.53 1jma n ASN 105 N 9.55 -5.29 -3.66 1.64 5.15 -1.26 -4.99 115.26 116.40 1jma n ASN 105 Ca 0.07 -0.33 -0.06 0.00 -0.60 0.00 0.00 54.58 53.66 1jma n ASN 105 Cb 0.49 -4.01 -0.02 0.00 -0.53 0.00 0.00 39.78 35.72 1jma n ASN 105 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1jma s ALA 107 N -3.36 -0.08 -0.24 0.00 0.00 -0.66 -0.90 121.76 116.52 1jma s ALA 107 Ca 0.09 0.25 -0.07 0.00 0.00 0.00 0.00 51.96 52.22 1jma s ALA 107 Cb -0.02 -0.17 -0.03 0.00 0.00 0.00 0.00 23.12 22.91 1jma s ALA 107 CO -0.02 -0.06 0.06 0.42 0.00 0.00 0.00 175.76 176.15 1jma s ILE 108 N 0.45 4.27 0.11 0.00 1.01 0.13 -2.05 121.20 125.12 1jma s ILE 108 Ca -0.04 -0.19 -0.31 0.00 0.00 0.00 0.00 60.65 60.12 1jma s ILE 108 Cb -0.05 -2.98 -0.07 0.00 0.01 0.00 0.00 42.46 39.36 1jma s ILE 108 CO -0.02 0.36 1.30 -2.84 0.00 0.00 0.00 174.94 173.74 1jma s PRO 109 N 1.48 4.38 -0.24 2.79 0.02 -1.26 -0.79 135.00 141.37 1jma s PRO 109 Ca 0.06 1.94 -0.13 0.00 0.02 0.00 0.00 61.00 62.89 1jma s PRO 109 Cb -0.15 -3.28 -0.10 0.00 0.02 0.00 0.00 34.50 30.99 1jma s PRO 109 CO 0.03 -0.33 -0.33 -0.89 -0.33 0.00 0.00 177.00 175.16 1jma n ILE 110 N 3.71 1.40 -3.71 2.83 5.41 0.29 -4.57 119.36 124.72 1jma n ILE 110 Ca 0.09 -0.29 -0.14 0.00 1.00 0.00 0.00 62.75 63.41 1jma n ILE 110 Cb 0.44 -1.90 -0.09 0.00 -0.71 0.00 0.00 39.64 37.38 1jma n ILE 110 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 176.55 176.83 1jma s THR 111 N -2.51 0.03 -0.07 1.39 -1.32 -1.20 -1.23 115.64 110.73 1jma s THR 111 Ca -0.34 -0.26 -0.05 0.00 -1.21 0.00 0.00 61.69 59.83 1jma s THR 111 Cb 0.12 -0.67 0.03 0.00 -1.51 0.00 0.00 72.50 70.48 1jma s THR 111 CO 0.44 -0.14 0.17 0.54 -2.21 0.00 0.00 174.62 173.41 1jma s VAL 112 N -0.84 -0.02 -0.07 5.08 0.11 -0.47 -1.10 120.40 123.09 1jma s VAL 112 Ca -0.09 0.09 0.01 0.00 -2.93 0.00 0.00 61.98 59.06 1jma s VAL 112 Cb -0.04 -0.26 0.02 0.00 -1.53 0.00 0.00 36.38 34.57 1jma s VAL 112 CO 0.04 0.04 -0.09 -0.04 -3.33 0.00 0.00 175.10 171.72 1jma s MET 113 N 0.65 1.40 0.15 1.54 -1.94 0.63 -1.78 119.30 119.95 1jma s MET 113 Ca -0.05 -0.28 0.08 0.00 -1.71 0.00 0.00 55.69 53.73 1jma s MET 113 Cb -0.06 -1.28 -0.04 0.00 2.01 0.00 0.00 34.83 35.46 1jma s MET 113 CO -0.03 -0.08 -0.06 -1.21 -0.01 0.00 0.00 175.02 173.63 1jma s GLU 114 N 1.01 2.21 -0.02 2.03 2.02 -1.26 -0.74 118.70 123.95 1jma s GLU 114 Ca -0.09 -1.13 -0.05 0.00 0.02 0.00 0.00 54.97 53.72 1jma s GLU 114 Cb -0.15 -2.28 0.00 0.00 0.10 0.00 0.00 34.13 31.81 1jma s GLU 114 CO -0.00 0.46 0.11 0.71 0.02 0.00 0.00 175.26 176.56 1jma s TYR 115 N -1.57 -0.00 0.16 1.61 1.51 0.11 -1.98 117.35 117.18 1jma s TYR 115 Ca 0.25 0.01 -0.02 0.00 -1.01 0.00 0.00 57.07 56.30 1jma s TYR 115 Cb -0.10 -0.03 -0.04 0.00 -0.11 0.00 0.00 41.96 41.69 1jma s TYR 115 CO 0.16 -0.18 0.10 -0.08 -1.11 0.00 0.00 175.55 174.44 1jma s THR 116 N -0.77 0.07 -1.46 -0.71 -1.32 -0.78 -1.22 115.64 109.45 1jma s THR 116 Ca -0.09 -1.90 -0.09 0.00 -1.21 0.00 0.00 61.69 58.40 1jma s THR 116 Cb -0.05 -2.18 0.04 0.00 -1.51 0.00 0.00 72.50 68.80 1jma s THR 116 CO 0.01 -0.30 0.91 -0.62 -2.21 0.00 0.00 174.62 172.41 1jma n GLU 117 N -0.16 -6.04 -2.85 7.08 -0.58 -1.24 -3.90 120.64 112.95 1jma n GLU 117 Ca -0.03 0.75 -0.38 0.00 -0.42 0.00 0.00 57.16 57.07 1jma n GLU 117 Cb 0.64 -5.67 -0.06 0.00 -0.57 0.00 0.00 31.44 25.78 1jma n GLU 117 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1jma s SER 119 N -1.37 6.82 0.01 0.00 0.15 -1.26 -1.24 113.70 116.81 1jma s SER 119 Ca 0.43 0.98 0.28 0.00 0.70 0.00 0.00 55.95 58.34 1jma s SER 119 Cb -0.22 -2.26 1.17 0.00 -1.71 0.00 0.00 66.02 63.01 1jma s SER 119 CO 0.27 0.29 1.89 -1.22 1.20 0.00 0.00 173.24 175.67 1jma n TYR 120 N 1.65 0.05 -2.01 3.44 4.02 -1.26 -3.41 117.16 119.63 1jma n TYR 120 Ca -0.12 0.01 -0.32 0.00 -0.01 0.00 0.00 57.90 57.46 1jma n TYR 120 Cb 0.52 -0.52 0.03 0.00 -0.02 0.00 0.00 39.34 39.35 1jma n TYR 120 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 176.86 176.12 1jma n ASN 121 N -1.54 6.13 -3.60 7.72 6.94 -1.26 -4.64 115.26 125.01 1jma n ASN 121 Ca 0.07 -3.77 -0.14 0.00 -0.02 0.00 0.00 54.58 50.72 1jma n ASN 121 Cb 0.33 -0.71 -0.06 0.00 -2.36 0.00 0.00 39.78 36.99 1jma n ASN 121 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 1jma s LYS 122 N -3.76 1.00 0.75 -3.83 1.02 -1.22 -5.16 119.74 108.53 1jma s LYS 122 Ca 0.53 -0.27 -0.16 0.00 0.02 0.00 0.00 55.97 56.09 1jma s LYS 122 Cb 0.43 0.45 -0.00 0.00 -0.52 0.00 0.00 37.83 38.19 1jma s LYS 122 CO -0.18 -0.35 0.78 0.43 -0.92 0.00 0.00 175.35 175.10 1jma n SER 123 N 0.45 -0.32 -4.69 2.83 7.64 -1.26 -4.86 113.62 113.41 1jma n SER 123 Ca -0.18 0.60 -0.43 0.00 1.01 0.00 0.00 58.87 59.87 1jma n SER 123 Cb 0.60 -1.33 -0.03 0.00 -1.01 0.00 0.00 64.21 62.44 1jma n SER 123 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 1jma n LEU 124 N -1.26 3.87 -0.85 -3.43 7.94 -1.26 -2.45 117.00 119.55 1jma n LEU 124 Ca 0.11 1.01 -0.06 0.00 -1.11 0.00 0.00 56.01 55.96 1jma n LEU 124 Cb 0.50 -1.52 0.00 0.00 0.53 0.00 0.00 43.42 42.93 1jma n LEU 124 CO 0.49 0.10 -0.05 0.61 -1.11 0.00 0.00 177.39 177.44 1jma n GLY 125 N 4.10 0.19 2.74 -3.96 0.00 -1.26 -4.95 105.19 102.05 1jma n GLY 125 Ca 0.18 -0.58 -0.28 0.00 0.00 0.00 0.00 46.02 45.34 1jma n GLY 125 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jma n ALA 126 N -1.70 4.92 -2.50 4.61 0.00 -1.03 -5.06 120.51 119.76 1jma n ALA 126 Ca -0.06 -4.54 -0.22 0.00 0.00 0.00 0.00 53.44 48.63 1jma n ALA 126 Cb 0.55 -0.71 -0.00 0.00 0.00 0.00 0.00 19.45 19.29 1jma n ALA 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1jma h PRO 128 N 0.70 0.86 -4.96 0.00 0.11 -1.77 -3.43 132.00 123.51 1jma h PRO 128 Ca -0.47 -0.45 -0.66 0.00 0.11 0.00 0.00 66.00 64.52 1jma h PRO 128 Cb 1.25 0.01 -0.28 0.00 0.11 0.00 0.00 31.00 32.09 1jma h PRO 128 CO 0.57 1.09 -0.72 0.42 -0.21 0.00 0.00 178.00 179.16 1jma s ILE 129 N -4.40 3.33 0.04 4.15 -1.09 -1.25 0.72 121.20 122.70 1jma s ILE 129 Ca -0.12 -0.62 0.04 0.00 -2.23 0.00 0.00 60.65 57.72 1jma s ILE 129 Cb 0.10 -2.57 -0.02 0.00 -1.58 0.00 0.00 42.46 38.39 1jma s ILE 129 CO 0.86 0.34 -0.12 -0.13 -1.23 0.00 0.00 174.94 174.66 1jma s ARG 130 N 1.45 0.80 0.59 2.79 0.52 -0.42 -1.87 118.95 122.81 1jma s ARG 130 Ca 0.04 -0.73 -0.13 0.00 -0.52 0.00 0.00 55.73 54.39 1jma s ARG 130 Cb -0.15 -0.77 -0.05 0.00 0.52 0.00 0.00 34.95 34.50 1jma s ARG 130 CO -0.03 0.18 1.02 0.95 0.02 0.00 0.00 175.30 177.44 1jma s THR 131 N -0.93 4.52 -0.24 0.02 -4.23 -0.84 -0.14 115.64 113.80 1jma s THR 131 Ca -0.01 0.98 -0.29 0.00 -1.18 0.00 0.00 61.69 61.19 1jma s THR 131 Cb -0.08 -3.74 -0.00 0.00 1.34 0.00 0.00 72.50 70.02 1jma s THR 131 CO 0.01 -0.91 1.22 -1.10 -0.54 0.00 0.00 174.62 173.30 1jma s GLN 132 N -4.69 4.10 -0.47 3.99 -1.52 -0.36 -4.70 119.66 116.01 1jma s GLN 132 Ca 0.57 1.39 -0.43 0.00 -1.95 0.00 0.00 55.36 54.94 1jma s GLN 132 Cb -0.11 -3.79 -0.18 0.00 -0.22 0.00 0.00 33.01 28.71 1jma s GLN 132 CO 0.45 -0.87 1.59 -2.30 -0.25 0.00 0.00 175.29 173.90 1jma n PRO 133 N 6.86 0.00 -3.26 2.91 -0.02 -1.26 -4.54 135.00 135.69 1jma n PRO 133 Ca 0.14 0.00 -0.38 0.00 -2.02 0.00 0.00 63.50 61.23 1jma n PRO 133 Cb 0.46 -1.40 -0.06 0.00 -0.02 0.00 0.00 33.50 32.48 1jma n PRO 133 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1jma s ARG 134 N 3.31 4.28 0.14 -0.52 1.81 -0.73 -0.31 118.95 126.93 1jma s ARG 134 Ca 1.01 0.63 0.03 0.00 -1.72 0.00 0.00 55.73 55.67 1jma s ARG 134 Cb -1.40 -3.36 -0.04 0.00 -0.45 0.00 0.00 34.95 29.70 1jma s ARG 134 CO 0.74 0.34 -0.06 -1.58 -0.68 0.00 0.00 175.30 174.06 1jma s TRP 135 N -0.03 1.16 -0.24 -0.53 0.52 -0.36 -1.36 118.94 118.09 1jma s TRP 135 Ca 0.29 -0.88 -0.19 0.00 0.02 0.00 0.00 56.10 55.34 1jma s TRP 135 Cb -0.17 -0.63 0.07 0.00 -1.15 0.00 0.00 33.47 31.58 1jma s TRP 135 CO 0.15 -0.07 0.63 1.21 0.02 0.00 0.00 176.95 178.89 1jma s ASN 136 N -3.14 -0.74 0.00 2.95 3.84 -0.37 -1.49 114.94 115.99 1jma s ASN 136 Ca 0.18 1.31 0.00 0.00 0.21 0.00 0.00 52.86 54.56 1jma s ASN 136 Cb 0.04 1.27 0.00 0.00 -0.55 0.00 0.00 41.25 42.01 1jma s ASN 136 CO 0.00 -0.22 0.00 -1.22 -2.79 0.00 0.00 177.10 172.87 1jma n TYR 137 N 3.41 0.00 0.50 0.43 4.02 -1.26 -4.39 117.16 119.86 1jma n TYR 137 Ca -0.17 0.00 0.11 0.00 -0.01 0.00 0.00 57.90 57.83 1jma n TYR 137 Cb 0.57 0.00 -0.11 0.00 -0.02 0.00 0.00 39.34 39.78 1jma n TYR 137 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 1jma n TYR 138 N 0.00 0.07 0.31 -0.72 4.02 -1.26 -4.67 117.16 114.91 1jma n TYR 138 Ca 0.00 0.02 0.17 0.00 -0.01 0.00 0.00 57.90 58.08 1jma n TYR 138 Cb 0.00 -0.30 0.91 0.00 -0.02 0.00 0.00 39.34 39.93 1jma n TYR 138 CO 0.00 0.00 0.00 0.38 -1.01 0.00 0.00 176.86 176.23 1jma h ASP 139 N 0.00 0.00 0.58 7.72 2.03 -1.86 -2.09 116.42 122.79 1jma h ASP 139 Ca 0.00 0.00 -0.07 0.00 -0.73 0.00 0.00 57.03 56.23 1jma h ASP 139 Cb 0.75 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.24 1jma h ASP 139 CO 0.00 0.00 -0.31 0.28 -1.03 0.00 0.00 179.24 178.18 1jma h SER 140 N 0.00 0.00 0.00 4.15 0.02 -1.97 -3.34 113.55 112.41 1jma h SER 140 Ca 0.02 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 1jma h SER 140 Cb 0.52 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.06 1jma h SER 140 CO -0.00 0.31 0.00 2.22 -1.14 0.00 0.00 176.83 178.22 1jma n PHE 141 N -3.73 0.00 -4.62 3.45 1.16 -1.00 -4.75 117.46 107.98 1jma n PHE 141 Ca -0.01 -0.10 -0.28 0.00 -1.87 0.00 0.00 57.45 55.19 1jma n PHE 141 Cb 0.41 -0.01 -0.10 0.00 -1.61 0.00 0.00 39.48 38.17 1jma n PHE 141 CO 0.00 0.00 0.00 -1.12 -1.87 0.00 0.00 176.76 173.77 1jma s SER 142 N -0.21 3.68 0.10 5.98 0.01 -0.82 -1.26 113.70 121.18 1jma s SER 142 Ca 0.00 -1.43 -0.26 0.00 1.31 0.00 0.00 55.95 55.57 1jma s SER 142 Cb 0.00 -0.18 0.08 0.00 0.21 0.00 0.00 66.02 66.14 1jma s SER 142 CO 0.00 -0.55 1.09 0.00 0.41 0.00 0.00 173.24 174.18 1jma s ALA 143 N -2.84 -1.85 0.20 1.44 0.00 0.56 -4.78 121.76 114.50 1jma s ALA 143 Ca 0.30 0.19 0.04 0.00 0.00 0.00 0.00 51.96 52.49 1jma s ALA 143 Cb 0.08 0.60 -0.03 0.00 0.00 0.00 0.00 23.12 23.77 1jma s ALA 143 CO 0.15 -1.06 0.29 0.08 0.00 0.00 0.00 175.76 175.23 1jma s VAL 144 N -2.76 5.14 0.51 0.00 1.01 -1.26 0.19 120.40 123.23 1jma s VAL 144 Ca 0.16 -0.91 -0.09 0.00 0.00 0.00 0.00 61.98 61.14 1jma s VAL 144 Cb 0.00 -3.72 -0.05 0.00 0.00 0.00 0.00 36.38 32.62 1jma s VAL 144 CO 0.01 -0.21 0.88 -0.94 0.00 0.00 0.00 175.10 174.84 1jma s SER 145 N -3.57 6.34 0.35 3.32 1.04 -0.65 -4.82 113.70 115.72 1jma s SER 145 Ca 0.34 1.19 0.08 0.00 0.48 0.00 0.00 55.95 58.04 1jma s SER 145 Cb -0.10 -2.36 0.80 0.00 0.10 0.00 0.00 66.02 64.46 1jma s SER 145 CO 0.28 -0.64 1.88 -0.33 0.98 0.00 0.00 173.24 175.42 1jma h GLU 146 N 0.33 0.69 -0.76 4.02 5.08 -1.97 0.46 114.58 122.43 1jma h GLU 146 Ca -0.46 -0.04 0.17 0.00 -1.00 0.00 0.00 59.36 58.03 1jma h GLU 146 Cb 1.19 -0.16 -0.13 0.00 0.50 0.00 0.00 28.75 30.16 1jma h GLU 146 CO 0.62 0.46 0.07 0.22 -1.00 0.00 0.00 179.01 179.37 1jma h ASP 147 N 0.71 -0.23 0.00 1.42 1.82 -1.95 -3.45 116.42 114.73 1jma h ASP 147 Ca 0.43 0.18 0.00 0.00 -0.39 0.00 0.00 57.03 57.25 1jma h ASP 147 Cb 0.64 0.30 0.00 0.00 0.68 0.00 0.00 39.33 40.96 1jma h ASP 147 CO -0.19 -0.15 0.00 0.59 -1.61 0.00 0.00 179.24 177.89 1jma n ASN 148 N -5.29 0.00 -0.51 2.28 5.03 0.16 -4.87 115.26 112.05 1jma n ASN 148 Ca 0.14 0.00 0.08 0.00 0.87 0.00 0.00 54.58 55.67 1jma n ASN 148 Cb 0.49 0.00 0.04 0.00 -1.02 0.00 0.00 39.78 39.28 1jma n ASN 148 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 1jma n LEU 149 N 0.00 2.00 -4.60 3.41 7.99 -1.26 -4.85 117.00 119.69 1jma n LEU 149 Ca 0.00 -0.89 -0.25 0.00 -0.01 0.00 0.00 56.01 54.86 1jma n LEU 149 Cb 0.00 0.00 -0.08 0.00 -0.11 0.00 0.00 43.42 43.23 1jma n LEU 149 CO 0.00 0.37 -0.38 -0.83 -1.51 0.00 0.00 177.39 175.04 1jma s GLY 150 N -1.60 1.71 -0.15 -0.72 0.00 -1.26 -4.72 107.32 100.58 1jma s GLY 150 Ca 0.16 -1.59 0.00 0.00 0.00 0.00 0.00 44.72 43.29 1jma s GLY 150 CO 0.29 -1.64 -0.15 -0.12 0.00 0.00 0.00 173.10 171.49 1jma s PHE 151 N -2.07 2.78 -0.14 1.90 5.36 -0.17 -1.63 117.98 124.01 1jma s PHE 151 Ca 0.28 -0.91 0.01 0.00 -0.96 0.00 0.00 56.93 55.35 1jma s PHE 151 Cb -0.07 -1.87 -0.00 0.00 -0.34 0.00 0.00 43.02 40.73 1jma s PHE 151 CO 0.17 -0.39 -0.16 -1.17 -1.46 0.00 0.00 175.22 172.22 1jma s LEU 152 N 0.65 2.49 -0.08 6.12 2.96 0.13 -0.52 118.68 130.43 1jma s LEU 152 Ca -0.08 -0.45 0.04 0.00 -0.22 0.00 0.00 54.13 53.42 1jma s LEU 152 Cb -0.16 -1.56 0.00 0.00 0.50 0.00 0.00 46.19 44.98 1jma s LEU 152 CO 0.02 0.11 -0.21 -0.04 -1.32 0.00 0.00 176.35 174.91 1jma s MET 153 N 0.68 2.47 -0.18 1.98 -1.94 -0.64 -0.32 119.30 121.35 1jma s MET 153 Ca -0.08 -0.74 -0.07 0.00 -1.71 0.00 0.00 55.69 53.09 1jma s MET 153 Cb -0.16 -1.97 -0.04 0.00 2.01 0.00 0.00 34.83 34.68 1jma s MET 153 CO 0.02 0.20 0.04 -1.01 -0.01 0.00 0.00 175.02 174.26 1jma s HIS 154 N 0.26 3.19 -1.47 -0.03 0.09 -0.39 -1.37 115.29 115.56 1jma s HIS 154 Ca -0.13 -0.05 -0.08 0.00 -0.00 0.00 0.00 55.06 54.80 1jma s HIS 154 Cb -0.16 -2.07 0.01 0.00 -0.00 0.00 0.00 32.58 30.36 1jma s HIS 154 CO 0.06 0.06 0.15 0.00 -0.00 0.00 0.00 174.74 175.01 1jma n ALA 155 N 3.68 -2.15 -1.75 -1.40 0.00 -0.04 -4.84 120.51 114.02 1jma n ALA 155 Ca -0.17 -0.46 -0.41 0.00 0.00 0.00 0.00 53.44 52.40 1jma n ALA 155 Cb 0.52 -1.19 0.00 0.00 0.00 0.00 0.00 19.45 18.78 1jma n ALA 155 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1jma n PRO 156 N -4.71 2.37 -1.62 0.00 -0.02 -1.26 -4.20 135.00 125.56 1jma n PRO 156 Ca -0.28 0.84 -0.34 0.00 -2.02 0.00 0.00 63.50 61.69 1jma n PRO 156 Cb 0.67 -2.56 0.07 0.00 -0.02 0.00 0.00 33.50 31.66 1jma n PRO 156 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1jma s ALA 157 N -1.14 2.28 0.46 3.55 0.00 -1.26 -4.62 121.76 121.02 1jma s ALA 157 Ca 0.57 0.83 0.21 0.00 0.00 0.00 0.00 51.96 53.57 1jma s ALA 157 Cb -0.49 -3.43 1.21 0.00 0.00 0.00 0.00 23.12 20.41 1jma s ALA 157 CO 0.61 -1.60 1.90 0.35 0.00 0.00 0.00 175.76 177.02 1jma h PHE 158 N 0.01 0.33 0.00 0.00 3.57 -1.94 -1.37 116.94 117.54 1jma h PHE 158 Ca -0.48 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.03 1jma h PHE 158 Cb 1.28 -0.10 0.00 0.00 2.79 0.00 0.00 35.95 39.92 1jma h PHE 158 CO 0.49 0.10 0.00 0.39 -2.23 0.00 0.00 178.31 177.06 1jma n GLU 159 N -4.43 0.09 0.06 1.11 4.71 -1.26 -2.06 120.64 118.85 1jma n GLU 159 Ca 0.16 0.25 0.13 0.00 -0.01 0.00 0.00 57.16 57.70 1jma n GLU 159 Cb 0.70 -1.50 0.47 0.00 -1.01 0.00 0.00 31.44 30.10 1jma n GLU 159 CO 0.00 0.00 0.00 0.25 0.09 0.00 0.00 177.13 177.47 1jma n THR 160 N -1.36 0.36 -1.84 2.62 -2.24 -0.51 -4.82 114.28 106.49 1jma n THR 160 Ca 0.04 -0.17 -0.41 0.00 -2.27 0.00 0.00 64.05 61.23 1jma n THR 160 Cb 0.08 -0.52 -0.01 0.00 -2.10 0.00 0.00 70.33 67.78 1jma n THR 160 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1jma s ALA 161 N -3.06 3.67 0.00 6.98 0.00 -0.88 -4.80 121.76 123.67 1jma s ALA 161 Ca 0.12 1.52 0.00 0.00 0.00 0.00 0.00 51.96 53.59 1jma s ALA 161 Cb 0.15 -3.62 0.00 0.00 0.00 0.00 0.00 23.12 19.65 1jma s ALA 161 CO 0.58 -0.94 0.00 0.41 0.00 0.00 0.00 175.76 175.80 1jma n GLY 162 N 1.71 0.21 3.65 0.00 0.00 -0.69 -4.99 105.19 105.09 1jma n GLY 162 Ca 0.06 -1.52 -0.35 0.00 0.00 0.00 0.00 46.02 44.21 1jma n GLY 162 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1jma s THR 163 N -2.93 4.90 0.25 2.61 2.01 -1.26 -0.77 115.64 120.44 1jma s THR 163 Ca 0.00 0.01 0.10 0.00 0.31 0.00 0.00 61.69 62.11 1jma s THR 163 Cb 0.00 -3.22 -0.04 0.00 0.01 0.00 0.00 72.50 69.25 1jma s THR 163 CO 0.00 0.45 -0.08 -0.31 -0.69 0.00 0.00 174.62 173.99 1jma s TYR 164 N 0.42 2.57 -0.04 4.92 1.51 0.20 -0.60 117.35 126.32 1jma s TYR 164 Ca 0.04 -0.25 -0.01 0.00 -1.01 0.00 0.00 57.07 55.84 1jma s TYR 164 Cb -0.12 -1.16 0.03 0.00 -0.11 0.00 0.00 41.96 40.60 1jma s TYR 164 CO 0.00 0.62 0.03 -1.17 -1.11 0.00 0.00 175.55 173.92 1jma s LEU 165 N -3.41 0.61 -0.20 -1.29 0.20 -0.26 -1.03 118.68 113.31 1jma s LEU 165 Ca 0.29 0.01 -0.09 0.00 0.69 0.00 0.00 54.13 55.03 1jma s LEU 165 Cb -0.07 -0.21 -0.05 0.00 -0.43 0.00 0.00 46.19 45.43 1jma s LEU 165 CO 0.17 -0.18 0.11 -0.60 -0.29 0.00 0.00 176.35 175.56 1jma s ARG 166 N 1.70 4.14 -0.13 1.98 3.52 0.92 -1.30 118.95 129.78 1jma s ARG 166 Ca -0.01 -0.25 0.02 0.00 -0.13 0.00 0.00 55.73 55.36 1jma s ARG 166 Cb -0.13 -3.37 0.01 0.00 -1.56 0.00 0.00 34.95 29.91 1jma s ARG 166 CO -0.03 0.29 -0.18 -1.17 -0.81 0.00 0.00 175.30 173.40 1jma s LEU 167 N 0.36 1.91 -0.15 -0.88 0.20 0.08 -1.01 118.68 119.18 1jma s LEU 167 Ca 0.07 -0.53 0.02 0.00 0.69 0.00 0.00 54.13 54.38 1jma s LEU 167 Cb -0.11 -1.28 0.01 0.00 -0.43 0.00 0.00 46.19 44.37 1jma s LEU 167 CO -0.01 0.03 -0.20 -0.69 -0.29 0.00 0.00 176.35 175.19 1jma s VAL 168 N 1.02 2.19 -0.20 1.68 1.01 0.05 -1.43 120.40 124.73 1jma s VAL 168 Ca -0.04 -0.92 0.01 0.00 0.00 0.00 0.00 61.98 61.02 1jma s VAL 168 Cb -0.15 -1.90 0.05 0.00 0.00 0.00 0.00 36.38 34.38 1jma s VAL 168 CO -0.04 0.54 -0.08 -0.75 0.00 0.00 0.00 175.10 174.77 1jma s LYS 169 N 0.94 1.82 -0.43 2.72 2.20 -0.19 0.21 119.74 127.01 1jma s LYS 169 Ca -0.04 -0.81 -0.11 0.00 -0.36 0.00 0.00 55.97 54.65 1jma s LYS 169 Cb -0.15 -2.38 0.08 0.00 -1.51 0.00 0.00 37.83 33.87 1jma s LYS 169 CO -0.04 -0.47 0.30 0.42 -0.36 0.00 0.00 175.35 175.20 1jma s ILE 170 N 1.44 4.48 0.00 5.43 -1.09 0.47 -1.66 121.20 130.27 1jma s ILE 170 Ca -0.02 -1.33 0.00 0.00 -2.23 0.00 0.00 60.65 57.07 1jma s ILE 170 Cb -0.17 -3.73 0.00 0.00 -1.58 0.00 0.00 42.46 36.98 1jma s ILE 170 CO -0.08 -0.54 0.00 0.59 -1.23 0.00 0.00 174.94 173.69 1jma n ASN 171 N 4.99 0.00 -0.41 3.58 3.02 -0.55 0.48 115.26 126.37 1jma n ASN 171 Ca -0.11 0.00 0.05 0.00 -0.03 0.00 0.00 54.58 54.49 1jma n ASN 171 Cb 0.43 0.00 0.05 0.00 -0.61 0.00 0.00 39.78 39.65 1jma n ASN 171 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1jma n ASP 172 N 6.63 1.94 -4.77 6.41 8.00 -1.26 -4.96 116.55 128.53 1jma n ASP 172 Ca 0.00 -1.48 -0.39 0.00 0.71 0.00 0.00 54.79 53.62 1jma n ASP 172 Cb 0.00 -0.03 -0.06 0.00 -0.02 0.00 0.00 41.12 41.02 1jma n ASP 172 CO 0.00 0.00 0.00 0.86 -0.39 0.00 0.00 177.20 177.67 1jma s TRP 173 N -0.83 3.80 -0.03 1.24 -0.00 0.18 -4.94 118.94 118.35 1jma s TRP 173 Ca 0.12 1.46 0.01 0.00 -0.00 0.00 0.00 56.10 57.69 1jma s TRP 173 Cb 0.08 -2.72 0.02 0.00 -0.00 0.00 0.00 33.47 30.86 1jma s TRP 173 CO 0.12 0.42 -0.02 0.99 -0.00 0.00 0.00 176.95 178.47 1jma s THR 174 N -0.64 0.31 -0.15 5.86 2.01 -1.26 -0.39 115.64 121.38 1jma s THR 174 Ca 0.35 0.01 0.02 0.00 0.31 0.00 0.00 61.69 62.37 1jma s THR 174 Cb -0.21 -0.38 0.01 0.00 0.01 0.00 0.00 72.50 71.93 1jma s THR 174 CO 0.23 0.17 -0.20 -0.70 -0.69 0.00 0.00 174.62 173.43 1jma s GLU 175 N 0.96 3.05 -0.12 4.92 2.12 0.13 -0.95 118.70 128.81 1jma s GLU 175 Ca -0.11 -0.83 -0.00 0.00 0.36 0.00 0.00 54.97 54.39 1jma s GLU 175 Cb -0.14 -2.50 -0.02 0.00 0.26 0.00 0.00 34.13 31.73 1jma s GLU 175 CO -0.01 -0.06 -0.11 0.42 -0.54 0.00 0.00 175.26 174.96 1jma s ILE 176 N 0.94 3.24 -0.00 -3.70 -1.09 -1.26 -0.77 121.20 118.57 1jma s ILE 176 Ca -0.04 -0.60 0.03 0.00 -2.23 0.00 0.00 60.65 57.81 1jma s ILE 176 Cb -0.15 -2.36 -0.01 0.00 -1.58 0.00 0.00 42.46 38.36 1jma s ILE 176 CO -0.04 0.53 -0.11 -0.89 -1.23 0.00 0.00 174.94 173.20 1jma s THR 177 N 0.18 0.84 0.11 2.92 2.01 -0.18 -4.22 115.64 117.29 1jma s THR 177 Ca -0.06 -0.52 0.09 0.00 0.31 0.00 0.00 61.69 61.50 1jma s THR 177 Cb -0.15 -0.71 -0.04 0.00 0.01 0.00 0.00 72.50 71.61 1jma s THR 177 CO 0.04 0.18 -0.20 -1.10 -0.69 0.00 0.00 174.62 172.86 1jma s GLN 178 N -0.39 1.74 -0.02 4.92 -0.21 -0.43 -0.05 119.66 125.22 1jma s GLN 178 Ca 0.03 -1.19 0.01 0.00 0.02 0.00 0.00 55.36 54.24 1jma s GLN 178 Cb -0.05 -2.08 0.01 0.00 1.00 0.00 0.00 33.01 31.90 1jma s GLN 178 CO -0.00 0.48 -0.04 -0.06 -2.12 0.00 0.00 175.29 173.55 1jma s PHE 179 N -1.10 0.57 -0.24 0.91 0.40 -0.20 0.47 117.98 118.80 1jma s PHE 179 Ca 0.17 -0.12 -0.05 0.00 -0.60 0.00 0.00 56.93 56.33 1jma s PHE 179 Cb -0.10 -0.47 -0.01 0.00 0.51 0.00 0.00 43.02 42.95 1jma s PHE 179 CO 0.09 -0.09 -0.01 0.42 0.70 0.00 0.00 175.22 176.33 1jma s ILE 180 N 0.42 3.58 -0.18 0.64 1.01 -0.03 0.60 121.20 127.24 1jma s ILE 180 Ca -0.05 -0.51 -0.09 0.00 0.00 0.00 0.00 60.65 60.00 1jma s ILE 180 Cb -0.09 -2.69 -0.05 0.00 0.01 0.00 0.00 42.46 39.65 1jma s ILE 180 CO -0.00 0.34 0.12 -0.22 0.00 0.00 0.00 174.94 175.18 1jma s LEU 181 N 1.49 4.16 0.05 2.97 2.96 0.05 -0.74 118.68 129.62 1jma s LEU 181 Ca 0.05 0.24 0.06 0.00 -0.22 0.00 0.00 54.13 54.26 1jma s LEU 181 Cb -0.15 -2.06 -0.02 0.00 0.50 0.00 0.00 46.19 44.45 1jma s LEU 181 CO -0.01 0.22 -0.17 -0.70 -1.32 0.00 0.00 176.35 174.37 1jma s GLU 182 N 0.12 1.06 -0.21 1.98 2.12 0.15 -1.70 118.70 122.23 1jma s GLU 182 Ca 0.08 -0.87 -0.07 0.00 0.36 0.00 0.00 54.97 54.48 1jma s GLU 182 Cb -0.11 -1.12 -0.03 0.00 0.26 0.00 0.00 34.13 33.12 1jma s GLU 182 CO -0.01 0.28 0.05 -1.01 -0.54 0.00 0.00 175.26 174.03 1jma s HIS 183 N -0.91 3.14 -0.01 5.30 3.76 -1.26 -1.10 115.29 124.22 1jma s HIS 183 Ca 0.03 -0.18 -0.25 0.00 -0.15 0.00 0.00 55.06 54.51 1jma s HIS 183 Cb -0.09 -2.13 -0.19 0.00 1.11 0.00 0.00 32.58 31.29 1jma s HIS 183 CO 0.02 -0.08 1.30 -0.09 -0.85 0.00 0.00 174.74 175.03 1jma h ARG 184 N 7.33 -0.06 -7.15 1.40 9.65 -1.67 -3.45 114.38 120.44 1jma h ARG 184 Ca -0.36 0.00 -0.41 0.00 -1.10 0.00 0.00 59.98 58.11 1jma h ARG 184 Cb 1.18 0.01 0.21 0.00 -1.39 0.00 0.00 29.97 29.97 1jma h ARG 184 CO 0.64 0.36 -0.02 0.00 2.80 0.00 0.00 179.97 183.74 1jma s ALA 185 N -4.51 -0.35 -0.16 2.80 0.00 -1.26 -5.01 121.76 113.27 1jma s ALA 185 Ca -0.15 -0.64 -0.16 0.00 0.00 0.00 0.00 51.96 51.01 1jma s ALA 185 Cb 0.02 -3.02 -0.12 0.00 0.00 0.00 0.00 23.12 20.00 1jma s ALA 185 CO 0.65 -4.13 0.14 1.57 0.00 0.00 0.00 175.76 173.99 1jma h LYS 186 N -2.98 0.00 0.00 0.00 -0.00 -1.99 -3.49 116.57 108.11 1jma h LYS 186 Ca -0.50 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.15 1jma h LYS 186 Cb 1.33 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.56 1jma h LYS 186 CO 0.37 0.54 0.00 0.41 -0.00 0.00 0.00 179.45 180.77 1jma n GLY 187 N 1.57 4.65 3.95 0.07 0.00 -1.26 -5.00 105.19 109.17 1jma n GLY 187 Ca -0.16 -2.12 -0.25 0.00 0.00 0.00 0.00 46.02 43.49 1jma n GLY 187 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1jma s SER 188 N -0.39 4.66 0.37 1.61 0.01 -1.26 -4.79 113.70 113.92 1jma s SER 188 Ca 0.00 0.15 -0.15 0.00 1.31 0.00 0.00 55.95 57.26 1jma s SER 188 Cb 0.00 -0.74 -0.09 0.00 0.21 0.00 0.00 66.02 65.41 1jma s SER 188 CO 0.00 -1.65 0.80 0.00 0.41 0.00 0.00 173.24 172.79 1jma h LYS 190 N 1.85 0.14 -0.00 0.00 1.57 -1.96 -0.45 116.57 117.72 1jma h LYS 190 Ca -0.48 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.29 1jma h LYS 190 Cb 1.18 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.46 1jma h LYS 190 CO 0.64 0.09 -0.02 0.66 -0.57 0.00 0.00 179.45 180.25 1jma n TYR 191 N -5.28 0.00 -1.62 -1.35 4.02 -1.26 -4.92 117.16 106.75 1jma n TYR 191 Ca 0.13 0.00 -0.48 0.00 -0.01 0.00 0.00 57.90 57.54 1jma n TYR 191 Cb 0.45 -0.06 -0.04 0.00 -0.02 0.00 0.00 39.34 39.67 1jma n TYR 191 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1jma n ALA 192 N -0.78 -0.01 -2.08 -0.72 0.00 -0.18 -4.95 120.51 111.79 1jma n ALA 192 Ca 0.20 0.46 -0.28 0.00 0.00 0.00 0.00 53.44 53.82 1jma n ALA 192 Cb 0.21 -2.15 0.02 0.00 0.00 0.00 0.00 19.45 17.53 1jma n ALA 192 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1jma s LEU 193 N 0.50 3.32 0.41 0.00 2.01 -1.26 -4.96 118.68 118.70 1jma s LEU 193 Ca 0.75 0.95 -0.24 0.00 0.01 0.00 0.00 54.13 55.60 1jma s LEU 193 Cb -0.79 -3.86 -0.08 0.00 0.01 0.00 0.00 46.19 41.47 1jma s LEU 193 CO 0.49 -0.91 1.10 -2.84 1.01 0.00 0.00 176.35 175.20 1jma s PRO 194 N -4.99 4.07 -0.34 1.29 0.02 -1.26 -4.47 135.00 129.32 1jma s PRO 194 Ca 0.53 1.66 0.01 0.00 0.02 0.00 0.00 61.00 63.22 1jma s PRO 194 Cb -0.11 -2.57 0.11 0.00 0.02 0.00 0.00 34.50 31.95 1jma s PRO 194 CO 0.47 -0.26 0.11 -1.17 -0.33 0.00 0.00 177.00 175.83 1jma s LEU 195 N -2.63 3.11 -0.26 -5.54 0.20 -1.26 -4.99 118.68 107.30 1jma s LEU 195 Ca 0.58 -1.97 0.02 0.00 0.69 0.00 0.00 54.13 53.45 1jma s LEU 195 Cb -0.26 -1.14 0.07 0.00 -0.43 0.00 0.00 46.19 44.43 1jma s LEU 195 CO 0.32 -0.38 -0.05 -0.13 -0.29 0.00 0.00 176.35 175.83 1jma s ARG 196 N 1.17 1.72 -0.11 1.98 0.52 -1.26 -5.02 118.95 117.94 1jma s ARG 196 Ca 0.11 -1.22 0.03 0.00 -0.52 0.00 0.00 55.73 54.14 1jma s ARG 196 Cb -0.19 -2.72 0.01 0.00 0.52 0.00 0.00 34.95 32.57 1jma s ARG 196 CO -0.16 -0.66 -0.20 0.42 0.02 0.00 0.00 175.30 174.72 1jma s ILE 197 N 1.26 1.84 0.55 1.52 1.01 -1.26 -4.94 121.20 121.18 1jma s ILE 197 Ca -0.04 -0.86 -0.16 0.00 0.00 0.00 0.00 60.65 59.59 1jma s ILE 197 Cb -0.19 -1.63 -0.06 0.00 0.01 0.00 0.00 42.46 40.59 1jma s ILE 197 CO -0.07 0.51 1.01 -2.16 0.00 0.00 0.00 174.94 174.23 1jma s PRO 198 N 0.71 3.74 0.59 2.79 0.04 -1.26 -4.94 135.00 136.67 1jma s PRO 198 Ca -0.11 0.99 0.29 0.00 0.04 0.00 0.00 61.00 62.22 1jma s PRO 198 Cb -0.16 -2.10 1.77 0.00 0.04 0.00 0.00 34.50 34.05 1jma s PRO 198 CO 0.02 -0.45 2.20 -1.35 0.04 0.00 0.00 177.00 177.46 1jma h PRO 199 N 0.64 0.00 0.00 0.56 0.11 -2.00 -1.04 132.00 130.27 1jma h PRO 199 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1jma h PRO 199 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1jma h PRO 199 CO 0.60 0.00 0.00 0.66 -0.21 0.00 0.00 178.00 179.05 1jma h SER 200 N 0.00 0.00 1.39 -2.05 4.64 -2.05 -2.94 113.55 112.54 1jma h SER 200 Ca 0.03 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.27 1jma h SER 200 Cb 0.17 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.24 1jma h SER 200 CO -0.00 0.00 -0.38 0.00 -0.87 0.00 0.00 176.83 175.58 1jma h ALA 201 N 2.20 0.80 -1.72 5.18 0.00 -1.56 -3.41 119.26 120.75 1jma h ALA 201 Ca 0.00 -0.35 -0.65 0.00 0.00 0.00 0.00 54.91 53.92 1jma h ALA 201 Cb 0.34 -0.06 -0.16 0.00 0.00 0.00 0.00 17.79 17.91 1jma h ALA 201 CO 0.00 0.47 0.46 0.00 0.00 0.00 0.00 179.25 180.19 1jma s LEU 203 N 3.69 4.51 0.68 0.00 1.43 -0.87 -4.70 118.68 123.42 1jma s LEU 203 Ca 0.20 2.30 -0.11 0.00 -1.03 0.00 0.00 54.13 55.49 1jma s LEU 203 Cb -0.18 -3.62 -0.00 0.00 0.03 0.00 0.00 46.19 42.41 1jma s LEU 203 CO 0.08 -0.24 1.05 -0.94 0.23 0.00 0.00 176.35 176.54 1jma s SER 204 N -0.57 5.58 0.25 2.29 1.04 -1.26 -1.65 113.70 119.38 1jma s SER 204 Ca 0.47 1.55 -0.04 0.00 0.48 0.00 0.00 55.95 58.40 1jma s SER 204 Cb -0.33 -2.46 0.34 0.00 0.10 0.00 0.00 66.02 63.67 1jma s SER 204 CO 0.41 -1.31 1.89 -0.65 0.98 0.00 0.00 173.24 174.56 1jma h PRO 205 N -0.62 1.14 0.00 4.02 0.11 -1.98 -0.92 132.00 133.75 1jma h PRO 205 Ca -0.44 -0.07 -0.01 0.00 0.11 0.00 0.00 66.00 65.59 1jma h PRO 205 Cb 1.21 -0.26 -0.00 0.00 0.11 0.00 0.00 31.00 32.06 1jma h PRO 205 CO 0.58 0.76 -0.05 -0.56 -0.21 0.00 0.00 178.00 178.52 1jma h GLN 206 N 1.18 0.00 -0.53 1.05 -0.00 -1.96 -1.44 115.11 113.41 1jma h GLN 206 Ca 0.40 0.00 -0.10 0.00 -0.00 0.00 0.00 58.65 58.94 1jma h GLN 206 Cb 0.07 0.00 -0.02 0.00 -0.00 0.00 0.00 27.48 27.53 1jma h GLN 206 CO -0.14 0.05 -0.08 0.00 -0.00 0.00 0.00 178.83 178.66 1jma h ALA 207 N 1.95 0.72 -0.09 0.06 0.00 -1.53 -1.24 119.26 119.12 1jma h ALA 207 Ca -0.00 -0.33 -0.05 0.00 0.00 0.00 0.00 54.91 54.53 1jma h ALA 207 Cb 0.56 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 1jma h ALA 207 CO 0.01 0.61 -0.14 1.88 0.00 0.00 0.00 179.25 181.61 1jma h TYR 208 N 0.86 0.32 -0.28 0.00 -1.99 -1.23 -3.11 116.97 111.54 1jma h TYR 208 Ca 0.14 -0.11 0.07 0.00 2.00 0.00 0.00 58.73 60.83 1jma h TYR 208 Cb 0.63 -0.06 -0.07 0.00 2.00 0.00 0.00 36.73 39.23 1jma h TYR 208 CO 0.05 0.73 -0.19 1.96 -0.00 0.00 0.00 178.16 180.70 1jma h GLN 209 N -0.19 -0.17 -0.97 4.88 4.20 -1.21 -1.50 115.11 120.15 1jma h GLN 209 Ca 0.01 0.01 -0.09 0.00 0.06 0.00 0.00 58.65 58.64 1jma h GLN 209 Cb 0.70 0.04 -0.05 0.00 0.30 0.00 0.00 27.48 28.46 1jma h GLN 209 CO 0.03 -0.11 0.11 1.04 -0.67 0.00 0.00 178.83 179.24 1jma n GLN 210 N -5.35 1.54 -1.24 1.46 6.02 -0.48 -4.97 117.38 114.36 1jma n GLN 210 Ca -0.00 -0.78 0.00 0.00 -0.01 0.00 0.00 57.00 56.21 1jma n GLN 210 Cb 0.26 -1.43 0.00 0.00 1.02 0.00 0.00 30.24 30.10 1jma n GLN 210 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1jma n GLY 211 N 0.11 -4.47 3.15 1.08 0.00 -0.57 -5.01 105.19 99.48 1jma n GLY 211 Ca 0.13 -0.62 -0.12 0.00 0.00 0.00 0.00 46.02 45.41 1jma n GLY 211 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jma s VAL 212 N -1.73 -0.02 0.16 1.61 0.11 -1.24 -4.82 120.40 114.47 1jma s VAL 212 Ca 0.00 0.08 0.05 0.00 -2.93 0.00 0.00 61.98 59.18 1jma s VAL 212 Cb 0.00 -0.45 -0.04 0.00 -1.53 0.00 0.00 36.38 34.36 1jma s VAL 212 CO 0.00 0.03 0.15 0.42 -3.33 0.00 0.00 175.10 172.37 1jma s THR 213 N 0.93 4.58 0.51 5.04 -4.23 -1.26 -0.97 115.64 120.23 1jma s THR 213 Ca -0.06 -1.02 0.28 0.00 -1.18 0.00 0.00 61.69 59.70 1jma s THR 213 Cb -0.07 -3.34 0.45 0.00 1.34 0.00 0.00 72.50 70.88 1jma s THR 213 CO -0.07 -0.09 1.89 0.58 -0.54 0.00 0.00 174.62 176.39 1jma h VAL 214 N 2.03 0.60 0.00 2.29 2.07 -1.93 -1.06 116.25 120.24 1jma h VAL 214 Ca -0.48 -0.03 -0.06 0.00 0.82 0.00 0.00 66.70 66.96 1jma h VAL 214 Cb 1.20 0.50 -0.01 0.00 -1.52 0.00 0.00 31.29 31.46 1jma h VAL 214 CO 0.64 0.02 -0.49 0.44 0.02 0.00 0.00 177.57 178.19 1jma h ASP 215 N 0.09 0.00 -0.19 0.57 3.32 -1.95 -0.94 116.42 117.33 1jma h ASP 215 Ca 0.42 0.00 -0.14 0.00 0.02 0.00 0.00 57.03 57.33 1jma h ASP 215 Cb 1.50 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 41.04 1jma h ASP 215 CO -0.05 0.24 -0.35 0.28 -1.72 0.00 0.00 179.24 177.64 1jma h SER 216 N 0.00 0.75 -0.21 6.45 0.02 -1.59 -3.08 113.55 115.89 1jma h SER 216 Ca -0.02 -0.32 0.00 0.00 -0.84 0.00 0.00 61.79 60.61 1jma h SER 216 Cb 1.20 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 63.53 1jma h SER 216 CO 0.03 1.03 0.00 2.30 -1.14 0.00 0.00 176.83 179.05 1jma n ILE 217 N -4.06 0.26 -0.91 3.27 -5.35 -1.20 -4.97 119.36 106.40 1jma n ILE 217 Ca -0.01 -0.48 0.00 0.00 -0.27 0.00 0.00 62.75 61.99 1jma n ILE 217 Cb 0.50 0.69 0.00 0.00 -1.74 0.00 0.00 39.64 39.09 1jma n ILE 217 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1jma n GLY 218 N 1.27 0.49 3.72 3.28 0.00 -1.17 -5.03 105.19 107.76 1jma n GLY 218 Ca 0.17 -0.50 -0.42 0.00 0.00 0.00 0.00 46.02 45.27 1jma n GLY 218 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1jma s MET 219 N -0.95 4.34 0.11 1.61 -1.94 -0.36 -4.91 119.30 117.19 1jma s MET 219 Ca 0.00 2.05 0.03 0.00 -1.71 0.00 0.00 55.69 56.07 1jma s MET 219 Cb 0.00 -3.25 -0.04 0.00 2.01 0.00 0.00 34.83 33.56 1jma s MET 219 CO 0.00 -0.40 0.13 -0.51 -0.01 0.00 0.00 175.02 174.23 1jma s LEU 220 N 0.93 3.92 -0.17 -0.03 1.43 -0.56 -4.65 118.68 119.55 1jma s LEU 220 Ca 0.63 -0.00 -0.29 0.00 -1.03 0.00 0.00 54.13 53.44 1jma s LEU 220 Cb -0.36 -2.55 -0.02 0.00 0.03 0.00 0.00 46.19 43.29 1jma s LEU 220 CO 0.31 0.12 1.30 -2.84 0.23 0.00 0.00 176.35 175.47 1jma s PRO 221 N -2.74 4.19 0.02 1.29 0.02 -1.26 -1.22 135.00 135.30 1jma s PRO 221 Ca 0.31 1.66 0.00 0.00 0.02 0.00 0.00 61.00 62.99 1jma s PRO 221 Cb -0.11 -3.80 0.00 0.00 0.02 0.00 0.00 34.50 30.61 1jma s PRO 221 CO 0.24 -0.77 0.01 0.54 -0.33 0.00 0.00 177.00 176.69 1jma n ARG 222 N 6.73 1.66 -0.53 5.54 3.00 0.57 -4.98 116.66 128.66 1jma n ARG 222 Ca 0.14 -0.14 -0.28 0.00 -0.01 0.00 0.00 57.85 57.56 1jma n ARG 222 Cb 0.45 0.02 0.21 0.00 0.00 0.00 0.00 32.46 33.14 1jma n ARG 222 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.63 178.82 1jma n PHE 223 N -0.35 -1.95 -2.59 -1.55 0.99 -1.21 -4.27 117.46 106.53 1jma n PHE 223 Ca -0.00 -0.10 -0.36 0.00 -0.00 0.00 0.00 57.45 56.98 1jma n PHE 223 Cb 0.02 -1.52 -0.05 0.00 -1.00 0.00 0.00 39.48 36.94 1jma n PHE 223 CO 0.00 0.00 0.00 -1.50 -0.00 0.00 0.00 176.76 175.26 1jma s ILE 224 N -2.21 3.83 0.25 4.37 2.07 -0.85 -4.36 121.20 124.29 1jma s ILE 224 Ca 0.56 1.41 -0.10 0.00 -1.41 0.00 0.00 60.65 61.11 1jma s ILE 224 Cb -0.13 -3.73 0.36 0.00 0.13 0.00 0.00 42.46 39.08 1jma s ILE 224 CO 0.58 0.02 1.59 -0.65 -1.91 0.00 0.00 174.94 174.57 1jma h PRO 225 N 2.59 0.00 -0.46 3.50 0.11 -1.93 0.11 132.00 135.92 1jma h PRO 225 Ca -0.48 -0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.60 1jma h PRO 225 Cb 1.21 -0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.30 1jma h PRO 225 CO 0.63 0.00 0.16 1.49 -0.21 0.00 0.00 178.00 180.07 1jma h GLU 226 N 0.00 0.67 0.00 1.05 4.57 -1.94 -2.01 114.58 116.91 1jma h GLU 226 Ca 0.41 -0.10 -0.15 0.00 -1.18 0.00 0.00 59.36 58.34 1jma h GLU 226 Cb 0.62 -0.12 -0.02 0.00 -0.16 0.00 0.00 28.75 29.07 1jma h GLU 226 CO -0.86 0.57 -0.70 -0.91 -1.18 0.00 0.00 179.01 175.92 1jma h ASN 227 N 0.66 0.00 -0.09 1.04 2.35 -1.43 -2.83 115.58 115.28 1jma h ASN 227 Ca 0.16 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.90 1jma h ASN 227 Cb 0.17 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.53 1jma h ASN 227 CO -0.01 0.70 0.04 -0.61 -1.65 0.00 0.00 177.43 175.90 1jma h GLN 228 N 0.00 0.14 -0.40 0.81 -0.00 -0.17 0.24 115.11 115.72 1jma h GLN 228 Ca -0.01 -0.03 0.05 0.00 -0.00 0.00 0.00 58.65 58.66 1jma h GLN 228 Cb 1.43 -0.02 -0.04 0.00 0.00 0.00 0.00 27.48 28.84 1jma h GLN 228 CO 0.09 0.26 0.15 0.00 0.00 0.00 0.00 178.83 179.33 1jma h ARG 229 N -0.01 0.31 -0.32 1.69 3.08 -1.42 -2.41 114.38 115.30 1jma h ARG 229 Ca 0.03 -0.02 -0.02 0.00 0.07 0.00 0.00 59.98 60.04 1jma h ARG 229 Cb 0.17 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.14 1jma h ARG 229 CO -0.00 0.21 0.12 1.15 -1.07 0.00 0.00 179.97 180.38 1jma h THR 230 N 0.32 1.18 -0.28 2.04 2.02 -1.21 -2.96 112.91 114.02 1jma h THR 230 Ca 0.18 -0.56 -0.05 0.00 0.77 0.00 0.00 66.41 66.75 1jma h THR 230 Cb 0.15 0.97 -0.01 0.00 -1.74 0.00 0.00 68.15 67.52 1jma h THR 230 CO -0.18 0.20 -0.03 0.58 0.37 0.00 0.00 175.52 176.46 1jma h VAL 231 N 0.36 1.27 -0.73 3.16 2.07 -0.41 -0.22 116.25 121.75 1jma h VAL 231 Ca 0.10 -0.99 0.14 0.00 0.82 0.00 0.00 66.70 66.77 1jma h VAL 231 Cb 0.19 1.36 -0.10 0.00 -1.52 0.00 0.00 31.29 31.23 1jma h VAL 231 CO -0.01 0.32 0.26 0.00 0.02 0.00 0.00 177.57 178.16 1jma h ALA 232 N 0.80 1.00 0.23 1.67 0.00 -1.45 0.89 119.26 122.41 1jma h ALA 232 Ca 0.07 0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 1jma h ALA 232 Cb 0.47 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1jma h ALA 232 CO 0.02 -0.24 -0.11 0.28 0.00 0.00 0.00 179.25 179.19 1jma h VAL 233 N 0.39 0.74 -0.42 0.00 2.07 -1.37 -3.12 116.25 114.54 1jma h VAL 233 Ca 0.40 -0.89 0.08 0.00 0.82 0.00 0.00 66.70 67.11 1jma h VAL 233 Cb 0.62 1.17 -0.09 0.00 -1.52 0.00 0.00 31.29 31.47 1jma h VAL 233 CO -0.42 0.17 -0.33 0.22 0.02 0.00 0.00 177.57 177.23 1jma h TYR 234 N -0.84 -0.92 -0.35 1.57 3.20 -0.50 0.13 116.97 119.26 1jma h TYR 234 Ca -0.03 0.06 0.10 0.00 3.14 0.00 0.00 58.73 62.00 1jma h TYR 234 Cb 0.51 0.47 -0.01 0.00 1.54 0.00 0.00 36.73 39.23 1jma h TYR 234 CO 0.06 -0.38 0.32 1.03 -1.64 0.00 0.00 178.16 177.55 1jma h SER 235 N -0.25 0.00 0.16 -2.11 0.87 -0.94 -1.28 113.55 110.00 1jma h SER 235 Ca 0.18 0.00 -0.32 0.00 -1.23 0.00 0.00 61.79 60.42 1jma h SER 235 Cb 0.54 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 62.51 1jma h SER 235 CO -0.56 0.00 -1.58 0.25 -0.53 0.00 0.00 176.83 174.41 1jma h LEU 236 N 0.00 0.54 0.06 2.23 5.85 -0.74 -3.35 115.31 119.90 1jma h LEU 236 Ca 0.16 -0.91 -0.00 0.00 0.84 0.00 0.00 57.88 57.97 1jma h LEU 236 Cb 0.81 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 41.67 1jma h LEU 236 CO -0.00 1.71 -0.03 0.11 -0.34 0.00 0.00 178.44 179.89 1jma h LYS 237 N -0.06 -0.08 -1.65 1.25 1.57 -0.45 -2.45 116.57 114.71 1jma h LYS 237 Ca -0.32 0.01 0.52 0.00 -1.87 0.00 0.00 60.65 58.99 1jma h LYS 237 Cb 1.96 0.02 -0.11 0.00 0.08 0.00 0.00 32.23 34.17 1jma h LYS 237 CO 0.14 0.10 1.12 0.82 -0.57 0.00 0.00 179.45 181.06 1jma h ILE 238 N -0.24 0.01 -0.01 1.86 1.08 -1.43 1.32 117.51 120.09 1jma h ILE 238 Ca -0.01 -0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.46 1jma h ILE 238 Cb 0.21 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 33.97 1jma h ILE 238 CO 0.01 0.00 -0.19 0.00 -0.69 0.00 0.00 178.15 177.29 1jma n ALA 239 N -2.70 2.94 0.00 1.87 0.00 -1.03 -4.95 120.51 116.63 1jma n ALA 239 Ca 0.42 -0.49 0.00 0.00 0.00 0.00 0.00 53.44 53.37 1jma n ALA 239 Cb 1.77 -1.04 0.00 0.00 0.00 0.00 0.00 19.45 20.18 1jma n ALA 239 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jma n GLY 240 N 1.31 1.79 3.59 0.00 0.00 0.45 -5.11 105.19 107.22 1jma n GLY 240 Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 1jma n GLY 240 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 1jma n TRP 241 N -0.10 0.89 0.16 1.61 -0.00 -0.95 -4.92 117.44 114.13 1jma n TRP 241 Ca 0.00 0.56 0.09 0.00 -0.00 0.00 0.00 57.50 58.14 1jma n TRP 241 Cb 0.00 -2.18 0.25 0.00 -0.00 0.00 0.00 31.31 29.38 1jma n TRP 241 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 177.69 178.41 1jma n HIS 242 N -0.64 0.83 -2.14 5.87 8.25 -1.26 -4.48 115.22 121.65 1jma n HIS 242 Ca 0.10 -0.39 -0.21 0.00 -0.26 0.00 0.00 57.72 56.95 1jma n HIS 242 Cb 0.40 -0.04 0.13 0.00 1.12 0.00 0.00 29.99 31.60 1jma n HIS 242 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1jma n GLY 243 N 1.29 -0.41 3.76 -1.41 0.00 -1.26 -4.77 105.19 102.39 1jma n GLY 243 Ca 0.19 -1.86 -0.38 0.00 0.00 0.00 0.00 46.02 43.97 1jma n GLY 243 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1jma s PRO 244 N -5.00 4.28 0.29 1.61 0.05 -1.26 -4.90 135.00 130.07 1jma s PRO 244 Ca 0.58 0.61 0.09 0.00 0.05 0.00 0.00 61.00 62.33 1jma s PRO 244 Cb -0.02 -3.36 -0.04 0.00 0.05 0.00 0.00 34.50 31.12 1jma s PRO 244 CO 0.40 0.32 0.05 0.15 0.05 0.00 0.00 177.00 177.97 1jma s LYS 245 N 0.02 2.32 0.18 4.56 3.01 -1.26 -5.06 119.74 123.52 1jma s LYS 245 Ca 0.29 -1.47 -0.33 0.00 -1.01 0.00 0.00 55.97 53.45 1jma s LYS 245 Cb -0.17 -2.16 -0.14 0.00 -1.01 0.00 0.00 37.83 34.35 1jma s LYS 245 CO 0.15 0.27 1.49 0.00 0.51 0.00 0.00 175.35 177.77 1jma n ALA 246 N -0.99 1.02 -1.80 5.17 0.00 -1.26 -4.75 120.51 117.90 1jma n ALA 246 Ca -0.05 0.44 -0.33 0.00 0.00 0.00 0.00 53.44 53.50 1jma n ALA 246 Cb 0.60 -2.29 -0.04 0.00 0.00 0.00 0.00 19.45 17.71 1jma n ALA 246 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1jma s PRO 247 N 0.42 3.93 0.22 0.00 0.04 -1.26 -4.75 135.00 133.59 1jma s PRO 247 Ca 0.76 1.19 -0.31 0.00 0.04 0.00 0.00 61.00 62.69 1jma s PRO 247 Cb -0.70 -2.13 -0.10 0.00 0.04 0.00 0.00 34.50 31.62 1jma s PRO 247 CO 0.43 -0.30 1.49 0.71 0.04 0.00 0.00 177.00 179.37 1jma s TYR 248 N -2.20 3.03 0.45 0.56 1.51 0.05 -4.67 117.35 116.07 1jma s TYR 248 Ca 0.64 0.86 0.01 0.00 -1.01 0.00 0.00 57.07 57.57 1jma s TYR 248 Cb -0.13 -3.87 0.00 0.00 -0.11 0.00 0.00 41.96 37.86 1jma s TYR 248 CO 0.21 -2.99 0.66 0.95 -1.11 0.00 0.00 175.55 173.27 1jma s THR 249 N 0.46 3.78 0.59 -0.71 -4.23 -1.26 -0.46 115.64 113.81 1jma s THR 249 Ca 0.64 -0.60 -0.17 0.00 -1.18 0.00 0.00 61.69 60.38 1jma s THR 249 Cb -0.43 -3.38 -0.03 0.00 1.34 0.00 0.00 72.50 70.00 1jma s THR 249 CO 0.39 -0.25 1.10 -0.44 -0.54 0.00 0.00 174.62 174.87 1jma s SER 250 N -4.25 5.55 0.16 3.99 0.01 -1.20 -4.72 113.70 113.25 1jma s SER 250 Ca 0.49 2.00 0.02 0.00 1.31 0.00 0.00 55.95 59.78 1jma s SER 250 Cb -0.10 -2.56 -0.05 0.00 0.21 0.00 0.00 66.02 63.53 1jma s SER 250 CO 0.37 -1.33 -0.02 0.42 0.41 0.00 0.00 173.24 173.09 1jma s THR 251 N -2.16 0.78 -0.06 1.44 -4.23 0.21 -4.93 115.64 106.69 1jma s THR 251 Ca 0.68 -1.99 -0.00 0.00 -1.18 0.00 0.00 61.69 59.20 1jma s THR 251 Cb -0.20 -2.04 0.03 0.00 1.34 0.00 0.00 72.50 71.63 1jma s THR 251 CO 0.34 -0.56 -0.01 -0.22 -0.54 0.00 0.00 174.62 173.63 1jma s LEU 252 N -3.17 0.90 0.71 4.79 2.96 -1.26 -0.47 118.68 123.15 1jma s LEU 252 Ca 0.22 -0.09 -0.15 0.00 -0.22 0.00 0.00 54.13 53.89 1jma s LEU 252 Cb 0.05 -0.41 0.03 0.00 0.50 0.00 0.00 46.19 46.36 1jma s LEU 252 CO 0.03 -0.14 1.17 -0.22 -1.32 0.00 0.00 176.35 175.87 1jma s LEU 253 N 1.51 3.32 0.46 -0.68 2.96 -1.26 -4.94 118.68 120.05 1jma s LEU 253 Ca -0.02 2.22 -0.25 0.00 -0.22 0.00 0.00 54.13 55.87 1jma s LEU 253 Cb -0.13 -4.57 -0.08 0.00 0.50 0.00 0.00 46.19 41.91 1jma s LEU 253 CO -0.03 -2.07 1.41 -2.84 -1.32 0.00 0.00 176.35 171.50 1jma s PRO 254 N -4.00 3.61 0.21 0.98 0.02 -1.26 -4.85 135.00 129.70 1jma s PRO 254 Ca 0.71 2.39 -0.10 0.00 0.02 0.00 0.00 61.00 64.02 1jma s PRO 254 Cb -0.26 -2.60 0.29 0.00 0.02 0.00 0.00 34.50 31.96 1jma s PRO 254 CO 0.44 -0.87 1.69 -1.35 -0.33 0.00 0.00 177.00 176.59 1jma h PRO 255 N 2.20 0.20 -0.03 5.54 0.11 -2.01 -1.09 132.00 136.91 1jma h PRO 255 Ca -0.51 -0.01 0.01 0.00 0.11 0.00 0.00 66.00 65.60 1jma h PRO 255 Cb 1.27 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 32.33 1jma h PRO 255 CO 0.61 0.13 0.17 0.93 -0.21 0.00 0.00 178.00 179.63 1jma h GLU 256 N 0.21 0.00 0.00 1.05 3.07 -2.04 -1.57 114.58 115.30 1jma h GLU 256 Ca 0.31 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.17 1jma h GLU 256 Cb 0.48 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.39 1jma h GLU 256 CO -0.44 0.00 -1.08 1.28 -1.40 0.00 0.00 179.01 177.38 1jma n LEU 257 N -3.13 0.84 0.00 1.33 4.32 -0.43 -4.76 117.00 115.17 1jma n LEU 257 Ca -0.02 -0.44 0.00 0.00 -0.02 0.00 0.00 56.01 55.53 1jma n LEU 257 Cb 0.24 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.04 1jma n LEU 257 CO 0.19 0.21 0.15 -1.20 -1.22 0.00 0.00 177.39 175.51 1jma n SER 258 N -1.57 0.00 -0.39 -1.43 7.64 -0.59 -5.00 113.62 112.28 1jma n SER 258 Ca 0.03 0.33 0.14 0.00 1.01 0.00 0.00 58.87 60.39 1jma n SER 258 Cb 0.34 -0.08 0.60 0.00 -1.01 0.00 0.00 64.21 64.07 1jma n SER 258 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24