#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2j03 s LYS 2 N 0.00 4.21 0.04 0.03 -0.14 -1.26 0.11 119.74 122.74 2j03 s LYS 2 Ca 0.00 0.52 -0.03 0.00 -1.36 0.00 0.00 55.97 55.11 2j03 s LYS 2 Cb 0.00 -3.56 -0.03 0.00 -1.68 0.00 0.00 37.83 32.56 2j03 s LYS 2 CO 0.00 -0.18 0.02 0.14 -0.76 0.00 0.00 175.35 174.57 2j03 s VAL 3 N 1.71 0.17 -0.25 3.17 -7.23 0.15 0.16 120.40 118.28 2j03 s VAL 3 Ca 0.27 -1.41 -0.06 0.00 -1.81 0.00 0.00 61.98 58.96 2j03 s VAL 3 Cb -0.16 -1.11 -0.02 0.00 0.56 0.00 0.00 36.38 35.65 2j03 s VAL 3 CO 0.10 -0.78 0.04 -0.63 -0.31 0.00 0.00 175.10 173.53 2j03 s ILE 4 N -3.12 4.05 0.67 -0.62 1.01 0.27 -0.11 121.20 123.34 2j03 s ILE 4 Ca -0.01 -0.29 -0.12 0.00 0.00 0.00 0.00 60.65 60.23 2j03 s ILE 4 Cb 0.02 -2.90 -0.00 0.00 0.01 0.00 0.00 42.46 39.59 2j03 s ILE 4 CO -0.07 0.34 1.06 -0.76 0.00 0.00 0.00 174.94 175.51 2j03 s LEU 5 N 1.57 3.24 0.02 2.97 1.43 -1.08 -0.97 118.68 125.86 2j03 s LEU 5 Ca 0.06 1.71 -0.00 0.00 -1.03 0.00 0.00 54.13 54.87 2j03 s LEU 5 Cb -0.15 -4.51 -0.00 0.00 0.03 0.00 0.00 46.19 41.56 2j03 s LEU 5 CO 0.02 -1.43 -0.00 0.18 0.23 0.00 0.00 176.35 175.34 2j03 n LEU 6 N -2.83 0.29 -4.80 1.79 4.77 -0.31 -1.02 117.00 114.89 2j03 n LEU 6 Ca 0.08 0.04 -0.34 0.00 -0.03 0.00 0.00 56.01 55.76 2j03 n LEU 6 Cb 0.53 -0.11 -0.06 0.00 -2.33 0.00 0.00 43.42 41.46 2j03 n LEU 6 CO 0.53 -0.56 0.68 -1.61 -1.33 0.00 0.00 177.39 175.09 2j03 s GLU 7 N -1.26 4.17 0.13 3.23 8.01 -1.24 -4.37 118.70 127.36 2j03 s GLU 7 Ca -0.00 1.26 -0.30 0.00 0.01 0.00 0.00 54.97 55.93 2j03 s GLU 7 Cb 0.00 -2.29 -0.07 0.00 -4.31 0.00 0.00 34.13 27.46 2j03 s GLU 7 CO 0.00 -0.10 1.21 -1.25 0.01 0.00 0.00 175.26 175.14 2j03 s PRO 8 N -2.95 4.46 0.41 0.39 0.04 -1.25 -4.74 135.00 131.36 2j03 s PRO 8 Ca 0.61 1.85 0.05 0.00 0.04 0.00 0.00 61.00 63.55 2j03 s PRO 8 Cb -0.14 -3.28 -0.06 0.00 0.04 0.00 0.00 34.50 31.06 2j03 s PRO 8 CO 0.18 -0.18 0.03 -0.51 0.04 0.00 0.00 177.00 176.56 2j03 s LEU 9 N 0.37 2.54 -0.10 -3.56 1.43 -0.98 -4.90 118.68 113.48 2j03 s LEU 9 Ca 0.56 -1.45 -0.25 0.00 -1.03 0.00 0.00 54.13 51.96 2j03 s LEU 9 Cb -0.32 -0.69 -0.03 0.00 0.03 0.00 0.00 46.19 45.18 2j03 s LEU 9 CO 0.33 -0.60 0.79 -0.70 0.23 0.00 0.00 176.35 176.40 2j03 s GLU 10 N -3.78 4.40 0.00 1.70 -6.30 -1.26 -1.58 118.70 111.87 2j03 s GLU 10 Ca 0.29 1.01 0.00 0.00 -2.50 0.00 0.00 54.97 53.77 2j03 s GLU 10 Cb 0.07 -3.50 0.00 0.00 0.00 0.00 0.00 34.13 30.70 2j03 s GLU 10 CO 0.14 -0.11 0.00 -1.71 0.02 0.00 0.00 175.26 173.60 2j03 n ASN 11 N 4.38 0.00 -2.94 -1.70 5.15 -1.26 -4.77 115.26 114.12 2j03 n ASN 11 Ca 0.02 0.00 -0.01 0.00 -0.60 0.00 0.00 54.58 53.99 2j03 n ASN 11 Cb 0.50 -0.24 0.00 0.00 -0.53 0.00 0.00 39.78 39.52 2j03 n ASN 11 CO 0.00 0.00 0.00 -1.48 1.40 0.00 0.00 177.26 177.18 2j03 s LEU 12 N 0.00 -1.10 0.05 1.20 2.34 -1.22 -5.08 118.68 114.88 2j03 s LEU 12 Ca 0.00 -0.82 -0.00 0.00 0.06 0.00 0.00 54.13 53.37 2j03 s LEU 12 Cb 0.00 1.41 -0.00 0.00 -0.56 0.00 0.00 46.19 47.04 2j03 s LEU 12 CO 0.00 -0.09 -0.00 0.61 -1.06 0.00 0.00 176.35 175.80 2j03 n GLY 13 N 3.68 -0.03 3.46 -3.48 0.00 -0.61 -2.32 105.19 105.89 2j03 n GLY 13 Ca 0.12 -0.00 -0.63 0.00 0.00 0.00 0.00 46.02 45.50 2j03 n GLY 13 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2j03 n ASP 14 N -3.27 1.00 -3.69 1.61 8.00 -1.26 -3.63 116.55 115.31 2j03 n ASP 14 Ca -0.00 0.88 -0.23 0.00 0.71 0.00 0.00 54.79 56.15 2j03 n ASP 14 Cb 0.25 -0.91 0.18 0.00 -0.02 0.00 0.00 41.12 40.62 2j03 n ASP 14 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 2j03 n VAL 15 N 5.50 0.00 -0.52 2.53 0.24 -1.26 -2.18 118.33 122.64 2j03 n VAL 15 Ca 0.45 -0.10 -0.01 0.00 -2.04 0.00 0.00 64.34 62.64 2j03 n VAL 15 Cb -0.04 -0.61 -0.00 0.00 -1.47 0.00 0.00 33.84 31.72 2j03 n VAL 15 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2j03 n GLY 16 N 2.23 0.06 3.63 7.63 0.00 -0.19 -4.85 105.19 113.70 2j03 n GLY 16 Ca 0.06 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.68 2j03 n GLY 16 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2j03 s GLN 17 N -1.05 4.11 -0.30 1.61 0.74 -0.93 -4.85 119.66 118.99 2j03 s GLN 17 Ca 0.00 0.43 -0.29 0.00 0.05 0.00 0.00 55.36 55.55 2j03 s GLN 17 Cb 0.00 -3.64 0.02 0.00 1.10 0.00 0.00 33.01 30.49 2j03 s GLN 17 CO 0.00 -0.34 1.06 0.08 -0.55 0.00 0.00 175.29 175.54 2j03 s VAL 18 N 2.28 4.55 0.04 1.34 1.01 -1.26 -2.62 120.40 125.74 2j03 s VAL 18 Ca 0.24 1.79 0.04 0.00 0.00 0.00 0.00 61.98 64.04 2j03 s VAL 18 Cb -0.16 -4.39 -0.02 0.00 0.00 0.00 0.00 36.38 31.81 2j03 s VAL 18 CO 0.09 -0.42 -0.11 0.54 0.00 0.00 0.00 175.10 175.20 2j03 s VAL 19 N 3.55 0.82 -0.29 2.92 0.11 0.84 -4.90 120.40 123.46 2j03 s VAL 19 Ca 0.45 -0.96 -0.20 0.00 -2.93 0.00 0.00 61.98 58.34 2j03 s VAL 19 Cb -0.13 -0.79 -0.01 0.00 -1.53 0.00 0.00 36.38 33.92 2j03 s VAL 19 CO 0.13 -0.14 0.60 1.51 -3.33 0.00 0.00 175.10 173.87 2j03 s ASP 20 N -1.24 6.48 0.49 3.54 3.84 -1.24 -0.67 116.67 127.88 2j03 s ASP 20 Ca -0.03 0.46 0.03 0.00 -0.00 0.00 0.00 52.55 53.01 2j03 s ASP 20 Cb -0.08 -2.32 -0.02 0.00 -1.38 0.00 0.00 42.92 39.12 2j03 s ASP 20 CO 0.01 -0.43 0.04 0.68 -0.00 0.00 0.00 175.17 175.48 2j03 s VAL 21 N 2.52 1.38 0.08 2.11 -7.23 0.30 -4.85 120.40 114.71 2j03 s VAL 21 Ca 0.24 -1.95 -0.31 0.00 -1.81 0.00 0.00 61.98 58.16 2j03 s VAL 21 Cb -0.15 -2.32 -0.07 0.00 0.56 0.00 0.00 36.38 34.40 2j03 s VAL 21 CO 0.11 0.00 1.32 -0.75 -0.31 0.00 0.00 175.10 175.47 2j03 s LYS 22 N -3.89 4.36 0.22 4.82 2.47 -1.26 -2.36 119.74 124.10 2j03 s LYS 22 Ca 0.14 1.96 -0.17 0.00 -1.56 0.00 0.00 55.97 56.34 2j03 s LYS 22 Cb 0.03 -3.31 0.24 0.00 -1.46 0.00 0.00 37.83 33.32 2j03 s LYS 22 CO 0.08 -0.39 1.50 -2.30 0.16 0.00 0.00 175.35 174.40 2j03 n PRO 23 N 4.07 -0.22 -0.01 4.03 -0.02 -1.26 -0.47 135.00 141.12 2j03 n PRO 23 Ca 0.11 1.49 -0.09 0.00 -2.02 0.00 0.00 63.50 62.98 2j03 n PRO 23 Cb 0.44 -2.21 -0.03 0.00 -0.02 0.00 0.00 33.50 31.68 2j03 n PRO 23 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 2j03 h GLY 24 N 0.00 -0.00 0.37 -1.23 0.00 -1.98 -0.14 103.07 100.09 2j03 h GLY 24 Ca 0.34 0.14 0.06 0.00 0.00 0.00 0.00 47.33 47.87 2j03 h GLY 24 CO -0.96 -0.12 -0.07 -1.82 0.00 0.00 0.00 176.54 173.57 2j03 h TYR 25 N -0.12 -0.15 0.58 5.60 -0.00 -1.15 0.89 116.97 122.62 2j03 h TYR 25 Ca 0.09 0.03 -0.02 0.00 -0.00 0.00 0.00 58.73 58.83 2j03 h TYR 25 Cb 0.25 0.12 -0.02 0.00 -0.00 0.00 0.00 36.73 37.08 2j03 h TYR 25 CO -0.24 -0.13 -0.49 0.00 -0.00 0.00 0.00 178.16 177.30 2j03 h ALA 26 N 1.32 -1.16 -0.41 1.82 0.00 -0.91 -0.53 119.26 119.39 2j03 h ALA 26 Ca 0.16 -0.20 0.05 0.00 0.00 0.00 0.00 54.91 54.92 2j03 h ALA 26 Cb 0.23 0.68 -0.05 0.00 0.00 0.00 0.00 17.79 18.66 2j03 h ALA 26 CO -0.32 -1.18 0.13 0.00 0.00 0.00 0.00 179.25 177.87 2j03 h ARG 27 N -1.05 0.27 -0.30 0.00 3.08 -0.37 -0.24 114.38 115.77 2j03 h ARG 27 Ca -0.07 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.96 2j03 h ARG 27 Cb 0.89 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.88 2j03 h ARG 27 CO -0.01 0.18 0.00 0.09 -1.07 0.00 0.00 179.97 179.15 2j03 n ASN 28 N -5.04 3.17 0.00 7.04 3.02 0.30 -4.11 115.26 119.65 2j03 n ASN 28 Ca 0.03 -1.93 0.00 0.00 -0.03 0.00 0.00 54.58 52.65 2j03 n ASN 28 Cb 0.16 -0.19 0.00 0.00 -0.61 0.00 0.00 39.78 39.15 2j03 n ASN 28 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2j03 n TYR 29 N 1.27 0.00 -0.10 3.10 9.36 -0.24 -4.73 117.16 125.82 2j03 n TYR 29 Ca 0.16 0.00 -0.12 0.00 3.32 0.00 0.00 57.90 61.26 2j03 n TYR 29 Cb 0.55 0.16 -0.07 0.00 -0.63 0.00 0.00 39.34 39.34 2j03 n TYR 29 CO 0.00 0.00 0.00 -0.07 0.22 0.00 0.00 176.86 177.01 2j03 h LEU 30 N 0.00 -1.58 -0.23 2.98 3.38 -1.55 0.15 115.31 118.45 2j03 h LEU 30 Ca 0.00 0.22 -0.03 0.00 0.09 0.00 0.00 57.88 58.16 2j03 h LEU 30 Cb 0.00 0.66 -0.01 0.00 0.09 0.00 0.00 40.66 41.40 2j03 h LEU 30 CO 0.00 -0.40 0.04 0.25 0.09 0.00 0.00 178.44 178.42 2j03 h LEU 31 N -0.40 0.36 -1.32 1.67 5.85 -1.22 0.47 115.31 120.72 2j03 h LEU 31 Ca 0.10 -0.25 -0.03 0.00 0.84 0.00 0.00 57.88 58.54 2j03 h LEU 31 Cb 0.61 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.52 2j03 h LEU 31 CO -0.55 0.52 0.12 -0.65 -0.34 0.00 0.00 178.44 177.54 2j03 h PRO 32 N 0.19 0.58 -0.23 5.25 0.11 -1.62 -1.61 132.00 134.67 2j03 h PRO 32 Ca 0.07 -0.09 0.00 0.00 0.11 0.00 0.00 66.00 66.09 2j03 h PRO 32 Cb 0.31 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 31.32 2j03 h PRO 32 CO 0.00 0.52 0.00 0.54 -0.21 0.00 0.00 178.00 178.85 2j03 n ARG 33 N -4.34 1.83 -3.60 1.05 1.74 0.49 -4.93 116.66 108.89 2j03 n ARG 33 Ca 0.03 -1.25 -0.22 0.00 -0.77 0.00 0.00 57.85 55.63 2j03 n ARG 33 Cb 0.18 -1.39 0.07 0.00 -1.02 0.00 0.00 32.46 30.30 2j03 n ARG 33 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2j03 n GLY 34 N 1.16 -0.46 0.62 -0.13 0.00 -0.61 -4.88 105.19 100.89 2j03 n GLY 34 Ca 0.16 0.19 0.10 0.00 0.00 0.00 0.00 46.02 46.47 2j03 n GLY 34 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2j03 n LEU 35 N -4.63 2.25 -3.74 0.99 4.77 0.16 -4.83 117.00 111.97 2j03 n LEU 35 Ca -0.11 -0.87 -0.01 0.00 -0.03 0.00 0.00 56.01 54.99 2j03 n LEU 35 Cb 0.60 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.69 2j03 n LEU 35 CO 0.66 0.40 0.88 0.00 -1.33 0.00 0.00 177.39 178.00 2j03 s ALA 36 N -1.99 -1.90 0.12 -1.18 0.00 -1.18 -1.16 121.76 114.47 2j03 s ALA 36 Ca 0.20 0.26 0.02 0.00 0.00 0.00 0.00 51.96 52.43 2j03 s ALA 36 Cb 0.16 0.57 -0.04 0.00 0.00 0.00 0.00 23.12 23.81 2j03 s ALA 36 CO 0.39 -1.06 -0.05 0.08 0.00 0.00 0.00 175.76 175.12 2j03 s VAL 37 N -2.74 0.68 -0.08 0.00 1.01 -0.15 -4.32 120.40 114.79 2j03 s VAL 37 Ca 0.15 -1.95 -0.30 0.00 0.00 0.00 0.00 61.98 59.89 2j03 s VAL 37 Cb 0.01 -1.79 -0.05 0.00 0.00 0.00 0.00 36.38 34.55 2j03 s VAL 37 CO 0.00 -0.77 1.65 -0.76 0.00 0.00 0.00 175.10 175.22 2j03 s LEU 38 N -3.07 4.24 -0.23 3.92 1.02 -1.26 -0.57 118.68 122.73 2j03 s LEU 38 Ca 0.15 2.13 -0.23 0.00 0.02 0.00 0.00 54.13 56.20 2j03 s LEU 38 Cb 0.05 -3.53 -0.25 0.00 0.02 0.00 0.00 46.19 42.48 2j03 s LEU 38 CO -0.03 -0.99 1.61 0.00 0.02 0.00 0.00 176.35 176.97 2j03 n ALA 39 N 7.39 1.66 -2.78 4.21 0.00 0.12 -4.73 120.51 126.38 2j03 n ALA 39 Ca 0.18 -2.39 -0.37 0.00 0.00 0.00 0.00 53.44 50.86 2j03 n ALA 39 Cb 0.43 -3.49 -0.06 0.00 0.00 0.00 0.00 19.45 16.33 2j03 n ALA 39 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2j03 s THR 40 N 6.02 5.40 0.21 0.00 -4.23 -1.26 -4.84 115.64 116.93 2j03 s THR 40 Ca 0.54 0.34 -0.03 0.00 -1.18 0.00 0.00 61.69 61.36 2j03 s THR 40 Cb 0.12 -3.48 0.32 0.00 1.34 0.00 0.00 72.50 70.80 2j03 s THR 40 CO 0.22 0.56 1.11 -0.62 -0.54 0.00 0.00 174.62 175.35 2j03 n GLU 41 N 2.36 -0.06 -0.07 3.99 1.02 -1.26 0.85 120.64 127.48 2j03 n GLU 41 Ca -0.18 1.09 -0.08 0.00 -0.02 0.00 0.00 57.16 57.98 2j03 n GLU 41 Cb 0.54 -1.67 -0.06 0.00 -0.02 0.00 0.00 31.44 30.23 2j03 n GLU 41 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 2j03 h SER 42 N 0.00 -1.06 -0.25 1.62 0.87 -1.94 0.24 113.55 113.04 2j03 h SER 42 Ca 0.38 0.14 -0.09 0.00 -1.23 0.00 0.00 61.79 60.99 2j03 h SER 42 Cb 0.66 0.43 -0.01 0.00 -0.44 0.00 0.00 62.40 63.05 2j03 h SER 42 CO -0.71 -0.24 -0.18 0.78 -0.53 0.00 0.00 176.83 175.96 2j03 h ASN 43 N -0.25 0.59 -0.43 6.23 2.35 -0.47 -2.30 115.58 121.30 2j03 h ASN 43 Ca 0.04 -0.44 0.09 0.00 -0.55 0.00 0.00 56.30 55.43 2j03 h ASN 43 Cb 0.35 -0.16 -0.09 0.00 0.05 0.00 0.00 38.32 38.47 2j03 h ASN 43 CO -0.32 0.90 -0.18 0.25 -1.65 0.00 0.00 177.43 176.43 2j03 h LEU 44 N 0.28 -0.64 -0.23 1.61 6.46 0.74 0.87 115.31 124.40 2j03 h LEU 44 Ca 0.05 0.15 -0.10 0.00 -0.12 0.00 0.00 57.88 57.86 2j03 h LEU 44 Cb 0.71 0.36 -0.00 0.00 -0.73 0.00 0.00 40.66 40.99 2j03 h LEU 44 CO 0.05 -0.22 -0.26 0.07 -0.62 0.00 0.00 178.44 177.46 2j03 h LYS 45 N -0.10 0.58 -0.31 1.25 2.10 -0.58 -1.95 116.57 117.56 2j03 h LYS 45 Ca 0.21 -0.32 0.09 0.00 -2.00 0.00 0.00 60.65 58.63 2j03 h LYS 45 Cb 0.42 0.02 -0.01 0.00 -0.90 0.00 0.00 32.23 31.75 2j03 h LYS 45 CO -0.49 0.91 0.27 0.00 -2.00 0.00 0.00 179.45 178.15 2j03 h ALA 46 N 0.66 2.11 0.34 0.07 0.00 -0.70 0.81 119.26 122.54 2j03 h ALA 46 Ca 0.03 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 2j03 h ALA 46 Cb 0.82 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.64 2j03 h ALA 46 CO 0.06 -0.43 -0.16 1.25 0.00 0.00 0.00 179.25 179.97 2j03 h LEU 47 N 0.00 -0.38 -1.05 0.00 5.85 0.13 -2.85 115.31 116.99 2j03 h LEU 47 Ca 0.15 -0.16 0.41 0.00 0.84 0.00 0.00 57.88 59.12 2j03 h LEU 47 Cb 0.69 0.10 -0.17 0.00 0.37 0.00 0.00 40.66 41.65 2j03 h LEU 47 CO -0.00 0.06 0.59 -0.08 -0.34 0.00 0.00 178.44 178.67 2j03 h GLU 48 N -0.94 0.06 0.02 1.25 4.22 -0.16 0.42 114.58 119.44 2j03 h GLU 48 Ca -0.05 -0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.39 2j03 h GLU 48 Cb 0.52 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.75 2j03 h GLU 48 CO 0.08 0.04 -0.06 0.00 -2.18 0.00 0.00 179.01 176.89 2j03 h ALA 49 N 1.92 -0.62 0.00 2.92 0.00 -0.93 0.35 119.26 122.90 2j03 h ALA 49 Ca 0.83 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.73 2j03 h ALA 49 Cb 2.22 0.48 0.00 0.00 0.00 0.00 0.00 17.79 20.49 2j03 h ALA 49 CO -0.70 -0.63 0.11 0.54 0.00 0.00 0.00 179.25 178.57 2j03 n ARG 50 N -2.76 0.00 0.00 0.00 1.74 0.13 -1.24 116.66 114.53 2j03 n ARG 50 Ca -0.01 0.37 0.00 0.00 -0.77 0.00 0.00 57.85 57.44 2j03 n ARG 50 Cb 0.04 -1.61 0.00 0.00 -1.02 0.00 0.00 32.46 29.87 2j03 n ARG 50 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 2j03 n ILE 51 N -1.36 0.00 0.51 0.55 2.08 0.10 -3.86 119.36 117.39 2j03 n ILE 51 Ca 0.00 0.41 -0.20 0.00 0.56 0.00 0.00 62.75 63.52 2j03 n ILE 51 Cb 0.11 -1.25 -0.10 0.00 -0.75 0.00 0.00 39.64 37.66 2j03 n ILE 51 CO 0.00 0.00 0.00 0.08 0.56 0.00 0.00 176.55 177.19 2j03 h ARG 52 N 0.00 -1.26 -0.68 0.38 0.11 -0.72 0.53 114.38 112.74 2j03 h ARG 52 Ca 0.00 0.09 0.22 0.00 0.10 0.00 0.00 59.98 60.39 2j03 h ARG 52 Cb 0.00 0.29 -0.13 0.00 1.11 0.00 0.00 29.97 31.24 2j03 h ARG 52 CO 0.00 -0.84 0.14 0.00 0.10 0.00 0.00 179.97 179.37 2j03 n ALA 53 N -2.68 0.47 -0.00 0.08 0.00 -0.37 0.12 120.51 118.13 2j03 n ALA 53 Ca -0.16 0.72 0.09 0.00 0.00 0.00 0.00 53.44 54.08 2j03 n ALA 53 Cb 0.52 -0.59 -0.14 0.00 0.00 0.00 0.00 19.45 19.23 2j03 n ALA 53 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 2j03 n GLN 54 N -4.78 0.65 0.18 0.00 0.00 -1.16 -2.59 117.38 109.69 2j03 n GLN 54 Ca 0.20 -0.12 0.13 0.00 -0.00 0.00 0.00 57.00 57.20 2j03 n GLN 54 Cb 0.65 -1.57 0.61 0.00 0.00 0.00 0.00 30.24 29.93 2j03 n GLN 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2j03 h ALA 55 N 1.88 1.00 0.00 1.69 0.00 0.63 -1.82 119.26 122.64 2j03 h ALA 55 Ca -0.06 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.78 2j03 h ALA 55 Cb 1.15 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 2j03 h ALA 55 CO 0.00 0.00 -1.27 0.36 0.00 0.00 0.00 179.25 178.34 2j03 n LYS 56 N -2.41 1.68 0.29 0.00 2.85 -0.50 -4.08 118.16 115.99 2j03 n LYS 56 Ca 0.00 0.01 0.15 0.00 -1.05 0.00 0.00 58.31 57.43 2j03 n LYS 56 Cb 0.16 -1.10 0.89 0.00 -0.65 0.00 0.00 35.03 34.33 2j03 n LYS 56 CO 0.00 0.00 0.00 -0.09 -0.05 0.00 0.00 177.40 177.26 2j03 h ARG 57 N 0.00 0.00 0.00 -1.58 2.43 -1.39 0.35 114.38 114.19 2j03 h ARG 57 Ca -0.11 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.06 2j03 h ARG 57 Cb 1.20 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.75 2j03 h ARG 57 CO -0.01 0.04 -1.34 -0.11 -1.51 0.00 0.00 179.97 177.05 2j03 n LEU 58 N -3.64 0.51 -0.76 3.80 0.00 -0.69 -3.39 117.00 112.82 2j03 n LEU 58 Ca -0.02 0.11 0.05 0.00 0.00 0.00 0.00 56.01 56.15 2j03 n LEU 58 Cb 0.14 -0.05 0.16 0.00 0.00 0.00 0.00 43.42 43.68 2j03 n LEU 58 CO 0.27 -0.06 0.61 0.00 0.00 0.00 0.00 177.39 178.21 2j03 n ALA 59 N -2.10 2.62 -0.07 1.96 0.00 0.95 -3.80 120.51 120.06 2j03 n ALA 59 Ca -0.01 -0.68 -0.10 0.00 0.00 0.00 0.00 53.44 52.66 2j03 n ALA 59 Cb 0.52 -0.99 -0.06 0.00 0.00 0.00 0.00 19.45 18.92 2j03 n ALA 59 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 2j03 h GLU 60 N 1.99 0.00 0.00 0.00 4.57 -0.76 -2.77 114.58 117.61 2j03 h GLU 60 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 2j03 h GLU 60 Cb 0.64 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.23 2j03 h GLU 60 CO 0.06 0.48 0.00 0.54 -1.18 0.00 0.00 179.01 178.91 2j03 n ARG 61 N -4.61 0.27 -0.08 1.92 3.00 -1.25 -0.04 116.66 115.87 2j03 n ARG 61 Ca -0.12 0.00 -0.08 0.00 -0.01 0.00 0.00 57.85 57.64 2j03 n ARG 61 Cb 0.35 -1.34 -0.14 0.00 0.00 0.00 0.00 32.46 31.34 2j03 n ARG 61 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.63 178.80 2j03 n LYS 62 N -0.84 1.17 0.17 5.56 0.00 -1.23 -3.31 118.16 119.68 2j03 n LYS 62 Ca 0.04 -0.02 0.09 0.00 0.00 0.00 0.00 58.31 58.43 2j03 n LYS 62 Cb 0.02 -1.44 0.09 0.00 0.00 0.00 0.00 35.03 33.70 2j03 n LYS 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2j03 h ALA 63 N 0.88 0.80 0.00 3.14 0.00 -0.15 -3.27 119.26 120.67 2j03 h ALA 63 Ca -0.44 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.29 2j03 h ALA 63 Cb 2.00 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.79 2j03 h ALA 63 CO 0.02 0.18 -1.76 0.39 0.00 0.00 0.00 179.25 178.09 2j03 n GLU 64 N -3.01 0.65 0.02 0.00 -0.58 -0.67 -2.91 120.64 114.13 2j03 n GLU 64 Ca 0.02 -0.08 0.13 0.00 -0.42 0.00 0.00 57.16 56.80 2j03 n GLU 64 Cb 0.59 -1.61 0.54 0.00 -0.57 0.00 0.00 31.44 30.39 2j03 n GLU 64 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2j03 n ALA 65 N -2.29 2.20 -0.09 0.62 0.00 -1.21 -2.43 120.51 117.32 2j03 n ALA 65 Ca -0.06 -0.08 -0.09 0.00 0.00 0.00 0.00 53.44 53.22 2j03 n ALA 65 Cb 0.63 -1.43 -0.13 0.00 0.00 0.00 0.00 19.45 18.51 2j03 n ALA 65 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2j03 n GLU 66 N -1.63 1.13 -0.57 0.00 -0.58 -1.23 -2.77 120.64 114.98 2j03 n GLU 66 Ca 0.06 0.01 -0.04 0.00 -0.42 0.00 0.00 57.16 56.77 2j03 n GLU 66 Cb 0.32 -1.44 0.17 0.00 -0.57 0.00 0.00 31.44 29.92 2j03 n GLU 66 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 2j03 n ARG 67 N -2.69 2.47 0.09 3.49 1.74 -1.15 -3.67 116.66 116.95 2j03 n ARG 67 Ca -0.29 -1.67 0.00 0.00 -0.77 0.00 0.00 57.85 55.12 2j03 n ARG 67 Cb 1.04 -1.79 0.00 0.00 -1.02 0.00 0.00 32.46 30.69 2j03 n ARG 67 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 2j03 n LEU 68 N 0.01 0.48 -0.42 0.55 7.94 -1.02 -4.83 117.00 119.72 2j03 n LEU 68 Ca 0.23 0.29 0.34 0.00 -1.11 0.00 0.00 56.01 55.76 2j03 n LEU 68 Cb 0.93 0.02 0.62 0.00 0.53 0.00 0.00 43.42 45.52 2j03 n LEU 68 CO 0.25 -0.76 1.23 0.50 -1.11 0.00 0.00 177.39 177.49 2j03 h LYS 69 N 0.00 0.14 0.00 1.96 3.64 -1.62 0.15 116.57 120.84 2j03 h LYS 69 Ca 0.00 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 2j03 h LYS 69 Cb 0.00 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 31.79 2j03 h LYS 69 CO 0.00 0.09 0.00 0.39 -2.27 0.00 0.00 179.45 177.66 2j03 n GLU 70 N -4.70 0.25 0.00 1.90 -0.58 -1.24 -2.02 120.64 114.25 2j03 n GLU 70 Ca 0.35 0.05 0.00 0.00 -0.42 0.00 0.00 57.16 57.14 2j03 n GLU 70 Cb 1.32 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 30.69 2j03 n GLU 70 CO 0.00 0.00 0.00 0.44 -0.48 0.00 0.00 177.13 177.09 2j03 n ILE 71 N -1.07 0.00 0.47 -3.67 -5.35 0.50 -4.60 119.36 105.64 2j03 n ILE 71 Ca 0.06 0.00 0.10 0.00 -0.27 0.00 0.00 62.75 62.65 2j03 n ILE 71 Cb 0.04 -1.02 0.43 0.00 -1.74 0.00 0.00 39.64 37.35 2j03 n ILE 71 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 2j03 n LEU 72 N -2.72 0.44 0.06 7.28 7.99 -1.17 0.10 117.00 128.97 2j03 n LEU 72 Ca 0.00 0.60 -0.13 0.00 -0.01 0.00 0.00 56.01 56.47 2j03 n LEU 72 Cb 0.43 -0.53 -0.04 0.00 -0.11 0.00 0.00 43.42 43.17 2j03 n LEU 72 CO 0.00 -0.42 0.21 -0.08 -1.51 0.00 0.00 177.39 175.59 2j03 h GLU 73 N 0.00 0.45 0.00 3.23 4.57 -1.52 -3.19 114.58 118.13 2j03 h GLU 73 Ca 0.00 -0.46 -0.35 0.00 -1.18 0.00 0.00 59.36 57.38 2j03 h GLU 73 Cb 0.35 0.12 -0.06 0.00 -0.16 0.00 0.00 28.75 29.01 2j03 h GLU 73 CO 0.00 1.11 -2.17 0.09 -1.18 0.00 0.00 179.01 176.86 2j03 n ASN 74 N -3.78 0.48 -4.76 1.04 4.13 -0.86 -4.88 115.26 106.63 2j03 n ASN 74 Ca -0.07 0.13 -0.40 0.00 1.68 0.00 0.00 54.58 55.93 2j03 n ASN 74 Cb 0.81 0.51 -0.05 0.00 -1.54 0.00 0.00 39.78 39.51 2j03 n ASN 74 CO 0.00 0.00 0.00 -0.22 0.28 0.00 0.00 177.26 177.32 2j03 s LEU 75 N -5.80 4.50 0.02 3.41 2.96 0.11 -5.02 118.68 118.86 2j03 s LEU 75 Ca -0.10 1.49 0.08 0.00 -0.22 0.00 0.00 54.13 55.37 2j03 s LEU 75 Cb 0.07 -3.22 -0.02 0.00 0.50 0.00 0.00 46.19 43.51 2j03 s LEU 75 CO 0.81 0.09 -0.23 0.42 -1.32 0.00 0.00 176.35 176.12 2j03 s THR 76 N -0.45 1.85 -0.09 3.68 -4.23 -1.26 -3.49 115.64 111.64 2j03 s THR 76 Ca 0.37 -1.17 -0.10 0.00 -1.18 0.00 0.00 61.69 59.61 2j03 s THR 76 Cb -0.21 -1.57 -0.08 0.00 1.34 0.00 0.00 72.50 71.98 2j03 s THR 76 CO 0.24 0.36 0.33 -0.07 -0.54 0.00 0.00 174.62 174.94 2j03 h LEU 77 N 5.12 -0.09 -2.96 4.79 3.38 -1.55 -3.46 115.31 120.53 2j03 h LEU 77 Ca -0.43 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 57.32 2j03 h LEU 77 Cb 1.14 0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.91 2j03 h LEU 77 CO 0.45 0.50 -0.06 0.41 0.09 0.00 0.00 178.44 179.83 2j03 n THR 78 N -4.82 -3.09 -3.57 0.22 -1.04 -1.25 -4.75 114.28 95.98 2j03 n THR 78 Ca -0.04 0.10 -0.36 0.00 -2.04 0.00 0.00 64.05 61.71 2j03 n THR 78 Cb 0.15 -3.76 -0.07 0.00 -1.82 0.00 0.00 70.33 64.82 2j03 n THR 78 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 2j03 s ILE 79 N -0.04 5.32 0.00 12.58 -1.09 -0.81 -4.80 121.20 132.36 2j03 s ILE 79 Ca -0.01 0.50 -0.02 0.00 -2.23 0.00 0.00 60.65 58.89 2j03 s ILE 79 Cb 0.00 -3.61 -0.11 0.00 -1.58 0.00 0.00 42.46 37.17 2j03 s ILE 79 CO 0.03 0.41 2.32 -2.65 -1.23 0.00 0.00 174.94 173.82 2j03 n PRO 80 N 3.42 1.21 -1.68 2.79 -0.02 -1.26 0.72 135.00 140.19 2j03 n PRO 80 Ca -0.13 -0.39 -0.44 0.00 -2.02 0.00 0.00 63.50 60.52 2j03 n PRO 80 Cb 0.52 -1.48 -0.03 0.00 -0.02 0.00 0.00 33.50 32.48 2j03 n PRO 80 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 2j03 n VAL 81 N 2.07 0.53 -2.34 -1.45 0.31 -0.83 -4.66 118.33 111.97 2j03 n VAL 81 Ca 0.17 -0.10 -0.42 0.00 -0.01 0.00 0.00 64.34 63.98 2j03 n VAL 81 Cb 0.57 -2.11 -0.02 0.00 -0.91 0.00 0.00 33.84 31.37 2j03 n VAL 81 CO 0.00 0.00 0.00 -0.60 -1.32 0.00 0.00 176.83 174.91 2j03 s ARG 82 N 3.51 3.36 0.11 5.55 3.52 -1.26 -4.08 118.95 129.66 2j03 s ARG 82 Ca 0.86 0.69 0.00 0.00 -0.13 0.00 0.00 55.73 57.15 2j03 s ARG 82 Cb -0.52 -4.11 -0.00 0.00 -1.56 0.00 0.00 34.95 28.76 2j03 s ARG 82 CO 0.42 -1.85 0.13 0.00 -0.81 0.00 0.00 175.30 173.19 2j03 n ALA 83 N 9.53 -0.01 -3.45 6.12 0.00 -1.26 -3.55 120.51 127.88 2j03 n ALA 83 Ca 0.15 -0.53 -0.24 0.00 0.00 0.00 0.00 53.44 52.82 2j03 n ALA 83 Cb 0.49 0.43 -0.12 0.00 0.00 0.00 0.00 19.45 20.25 2j03 n ALA 83 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2j03 s GLY 84 N -1.68 0.32 0.00 0.00 0.00 -1.22 -4.75 107.32 99.98 2j03 s GLY 84 Ca 0.10 -1.05 0.00 0.00 0.00 0.00 0.00 44.72 43.77 2j03 s GLY 84 CO 0.07 2.35 0.00 1.18 0.00 0.00 0.00 173.10 176.70 2j03 n GLU 85 N 4.80 0.00 0.00 2.90 -0.58 -1.26 -4.03 120.64 122.47 2j03 n GLU 85 Ca 0.02 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.76 2j03 n GLU 85 Cb 0.42 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.29 2j03 n GLU 85 CO 0.00 0.00 0.00 2.41 -0.48 0.00 0.00 177.13 179.06 2j03 n THR 86 N 0.00 0.00 -1.77 2.62 -1.04 -1.26 -4.58 114.28 108.25 2j03 n THR 86 Ca 0.00 0.00 -0.42 0.00 -2.04 0.00 0.00 64.05 61.59 2j03 n THR 86 Cb 0.00 -0.52 -0.03 0.00 -1.82 0.00 0.00 70.33 67.96 2j03 n THR 86 CO 0.00 0.00 0.00 -0.75 -0.64 0.00 0.00 175.07 173.68 2j03 s LYS 87 N 0.00 4.15 1.01 -2.82 2.47 -1.26 -2.58 119.74 120.71 2j03 s LYS 87 Ca 0.00 2.52 -0.17 0.00 -1.56 0.00 0.00 55.97 56.76 2j03 s LYS 87 Cb 0.00 -3.61 0.23 0.00 -1.46 0.00 0.00 37.83 32.99 2j03 s LYS 87 CO 0.00 -0.82 1.34 0.42 0.16 0.00 0.00 175.35 176.45 2j03 s ILE 88 N 2.76 1.97 -0.20 5.43 -1.09 -1.26 -3.40 121.20 125.42 2j03 s ILE 88 Ca 0.79 0.00 0.05 0.00 -2.23 0.00 0.00 60.65 59.26 2j03 s ILE 88 Cb -0.44 -2.97 -0.15 0.00 -1.58 0.00 0.00 42.46 37.32 2j03 s ILE 88 CO 0.35 0.00 -0.13 -1.22 -1.23 0.00 0.00 174.94 172.72 2j03 n TYR 89 N -3.93 0.00 -3.61 3.97 4.02 -1.23 -4.87 117.16 111.51 2j03 n TYR 89 Ca 0.17 0.00 -0.29 0.00 -0.01 0.00 0.00 57.90 57.76 2j03 n TYR 89 Cb 0.59 -0.80 -0.14 0.00 -0.02 0.00 0.00 39.34 38.97 2j03 n TYR 89 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 176.86 176.05 2j03 s GLY 90 N -5.76 0.91 0.22 2.72 0.00 -1.26 -5.12 107.32 99.04 2j03 s GLY 90 Ca -0.23 -1.65 -0.18 0.00 0.00 0.00 0.00 44.72 42.65 2j03 s GLY 90 CO 0.52 1.86 0.23 -1.14 0.00 0.00 0.00 173.10 174.57 2j03 n SER 91 N 4.62 -1.53 -4.46 1.64 3.41 -1.26 -4.87 113.62 111.17 2j03 n SER 91 Ca 0.01 0.73 -0.43 0.00 -0.26 0.00 0.00 58.87 58.92 2j03 n SER 91 Cb 0.40 -0.68 -0.05 0.00 -0.26 0.00 0.00 64.21 63.62 2j03 n SER 91 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2j03 s VAL 92 N -0.99 4.54 0.59 -3.33 0.11 -0.49 -4.93 120.40 115.91 2j03 s VAL 92 Ca 0.46 -0.27 -0.06 0.00 -2.93 0.00 0.00 61.98 59.19 2j03 s VAL 92 Cb -0.59 -4.52 0.01 0.00 -1.53 0.00 0.00 36.38 29.76 2j03 s VAL 92 CO 0.44 -1.14 0.90 0.42 -3.33 0.00 0.00 175.10 172.39 2j03 s THR 93 N 3.50 3.54 0.26 5.04 -4.23 -1.26 -4.38 115.64 118.10 2j03 s THR 93 Ca 0.22 -0.04 -0.02 0.00 -1.18 0.00 0.00 61.69 60.66 2j03 s THR 93 Cb -0.17 -3.41 0.24 0.00 1.34 0.00 0.00 72.50 70.50 2j03 s THR 93 CO 0.13 -0.42 1.70 0.00 -0.54 0.00 0.00 174.62 175.50 2j03 h ALA 94 N -0.19 1.12 -0.60 3.99 0.00 -1.94 0.32 119.26 121.96 2j03 h ALA 94 Ca -0.45 0.15 0.17 0.00 0.00 0.00 0.00 54.91 54.78 2j03 h ALA 94 Cb 1.26 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 19.18 2j03 h ALA 94 CO 0.60 -0.29 0.48 0.87 0.00 0.00 0.00 179.25 180.91 2j03 h LYS 95 N 0.37 0.00 0.13 0.00 1.57 -1.93 2.20 116.57 118.91 2j03 h LYS 95 Ca 0.45 0.00 -0.36 0.00 -1.87 0.00 0.00 60.65 58.88 2j03 h LYS 95 Cb 0.77 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.07 2j03 h LYS 95 CO -0.48 0.00 -1.92 -0.44 -0.57 0.00 0.00 179.45 176.04 2j03 h ASP 96 N 0.00 0.43 0.25 0.86 3.32 -0.88 0.93 116.42 121.33 2j03 h ASP 96 Ca 0.29 -0.94 0.00 0.00 0.02 0.00 0.00 57.03 56.40 2j03 h ASP 96 Cb 1.24 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 40.65 2j03 h ASP 96 CO -0.00 1.83 0.00 -0.38 -1.72 0.00 0.00 179.24 178.97 2j03 n ILE 97 N -3.55 0.86 -0.04 0.35 5.41 0.54 0.12 119.36 123.04 2j03 n ILE 97 Ca -0.31 0.21 -0.09 0.00 1.00 0.00 0.00 62.75 63.57 2j03 n ILE 97 Cb 1.03 -1.03 -0.03 0.00 -0.71 0.00 0.00 39.64 38.90 2j03 n ILE 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2j03 n ALA 98 N -1.34 2.34 0.29 -1.39 0.00 0.71 -4.38 120.51 116.75 2j03 n ALA 98 Ca 0.05 -0.37 -0.15 0.00 0.00 0.00 0.00 53.44 52.96 2j03 n ALA 98 Cb 0.10 0.33 -0.08 0.00 0.00 0.00 0.00 19.45 19.80 2j03 n ALA 98 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 2j03 h GLU 99 N -0.35 -0.85 0.00 0.00 4.81 0.12 1.15 114.58 119.46 2j03 h GLU 99 Ca -0.20 0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.09 2j03 h GLU 99 Cb 1.05 0.19 0.00 0.00 0.63 0.00 0.00 28.75 30.62 2j03 h GLU 99 CO -0.12 -0.57 0.02 0.00 -0.73 0.00 0.00 179.01 177.61 2j03 n ALA 100 N -2.65 1.15 -0.06 2.92 0.00 0.32 -0.76 120.51 121.42 2j03 n ALA 100 Ca -0.11 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.21 2j03 n ALA 100 Cb 0.39 -0.85 -0.04 0.00 0.00 0.00 0.00 19.45 18.94 2j03 n ALA 100 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2j03 n LEU 101 N -1.08 1.45 -0.33 0.00 7.94 0.11 -4.02 117.00 121.07 2j03 n LEU 101 Ca 0.00 0.24 -0.03 0.00 -1.11 0.00 0.00 56.01 55.11 2j03 n LEU 101 Cb 0.02 -0.56 0.09 0.00 0.53 0.00 0.00 43.42 43.51 2j03 n LEU 101 CO 0.00 -0.04 1.24 -1.28 -1.11 0.00 0.00 177.39 176.20 2j03 h SER 102 N -0.64 1.00 -0.35 1.96 0.87 0.17 0.77 113.55 117.33 2j03 h SER 102 Ca -0.23 -0.02 -0.03 0.00 -1.23 0.00 0.00 61.79 60.29 2j03 h SER 102 Cb 1.02 -0.24 -0.02 0.00 -0.44 0.00 0.00 62.40 62.72 2j03 h SER 102 CO -0.14 0.72 0.03 0.54 -0.53 0.00 0.00 176.83 177.45 2j03 n ARG 103 N -4.48 3.11 0.00 2.24 1.74 0.06 -0.48 116.66 118.85 2j03 n ARG 103 Ca 0.10 -1.79 0.00 0.00 -0.77 0.00 0.00 57.85 55.39 2j03 n ARG 103 Cb 0.03 -1.92 0.00 0.00 -1.02 0.00 0.00 32.46 29.55 2j03 n ARG 103 CO 0.00 0.00 0.00 0.94 -1.52 0.00 0.00 177.63 177.05 2j03 n GLN 104 N 0.29 2.33 0.00 5.56 7.27 -0.48 -4.91 117.38 127.44 2j03 n GLN 104 Ca 0.17 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.24 2j03 n GLN 104 Cb 0.83 -0.88 0.00 0.00 2.41 0.00 0.00 30.24 32.59 2j03 n GLN 104 CO 0.00 0.00 0.00 0.72 0.07 0.00 0.00 177.06 177.85 2j03 n HIS 105 N -1.80 0.00 0.00 3.69 8.25 0.14 -5.04 115.22 120.46 2j03 n HIS 105 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 2j03 n HIS 105 Cb 0.38 0.04 0.00 0.00 1.12 0.00 0.00 29.99 31.53 2j03 n HIS 105 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2j03 n GLY 106 N 2.84 1.42 3.81 -1.41 0.00 0.37 -5.05 105.19 107.16 2j03 n GLY 106 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 2j03 n GLY 106 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2j03 s VAL 107 N -2.00 4.94 -0.04 1.61 1.01 -1.25 -4.95 120.40 119.71 2j03 s VAL 107 Ca 0.00 1.02 -0.21 0.00 0.00 0.00 0.00 61.98 62.79 2j03 s VAL 107 Cb 0.00 -3.81 -0.05 0.00 0.00 0.00 0.00 36.38 32.52 2j03 s VAL 107 CO 0.00 0.52 0.61 -0.89 0.00 0.00 0.00 175.10 175.34 2j03 s THR 108 N -0.79 5.00 -0.02 3.92 2.01 -1.26 -3.11 115.64 121.39 2j03 s THR 108 Ca 0.26 1.26 0.00 0.00 0.31 0.00 0.00 61.69 63.52 2j03 s THR 108 Cb -0.18 -3.95 0.03 0.00 0.01 0.00 0.00 72.50 68.41 2j03 s THR 108 CO 0.15 0.35 0.03 0.27 -0.69 0.00 0.00 174.62 174.73 2j03 s ILE 109 N 0.27 -0.04 -0.25 1.82 -5.25 -1.26 -5.06 121.20 111.43 2j03 s ILE 109 Ca 0.32 0.20 -0.29 0.00 -0.99 0.00 0.00 60.65 59.89 2j03 s ILE 109 Cb -0.17 -0.09 -0.01 0.00 2.95 0.00 0.00 42.46 45.14 2j03 s ILE 109 CO 0.16 0.09 1.38 -1.81 -1.79 0.00 0.00 174.94 172.97 2j03 s ASP 110 N 1.01 6.65 0.00 4.36 1.01 -1.26 -4.86 116.67 123.58 2j03 s ASP 110 Ca -0.09 1.41 0.00 0.00 0.71 0.00 0.00 52.55 54.59 2j03 s ASP 110 Cb -0.12 -2.54 0.00 0.00 1.01 0.00 0.00 42.92 41.27 2j03 s ASP 110 CO -0.03 -1.06 0.20 -0.81 0.21 0.00 0.00 175.17 173.69 2j03 n PRO 111 N 7.27 0.24 0.00 8.23 -0.04 -1.26 -1.77 135.00 147.67 2j03 n PRO 111 Ca 0.16 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.62 2j03 n PRO 111 Cb 0.46 -1.29 0.00 0.00 -0.04 0.00 0.00 33.50 32.62 2j03 n PRO 111 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2j03 n LYS 112 N 0.71 0.00 0.20 0.54 5.02 -1.26 -4.65 118.16 118.73 2j03 n LYS 112 Ca 0.00 0.00 0.05 0.00 -2.02 0.00 0.00 58.31 56.34 2j03 n LYS 112 Cb 0.10 -0.20 0.43 0.00 -0.02 0.00 0.00 35.03 35.34 2j03 n LYS 112 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2j03 h ARG 113 N 0.00 0.00 -0.38 1.97 2.47 -1.71 -3.15 114.38 113.58 2j03 h ARG 113 Ca 0.00 0.00 0.11 0.00 -1.26 0.00 0.00 59.98 58.83 2j03 h ARG 113 Cb 0.00 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.30 2j03 h ARG 113 CO 0.00 0.31 0.96 -0.07 0.56 0.00 0.00 179.97 181.73 2j03 h LEU 114 N 0.00 0.00 -2.76 3.04 3.38 -1.76 -2.46 115.31 114.74 2j03 h LEU 114 Ca -0.00 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.86 2j03 h LEU 114 Cb 0.60 0.00 0.08 0.00 0.09 0.00 0.00 40.66 41.43 2j03 h LEU 114 CO 0.04 0.00 -0.36 0.00 0.09 0.00 0.00 178.44 178.21 2j03 n ALA 115 N -1.86 -1.37 -2.54 1.53 0.00 -1.19 -3.88 120.51 111.21 2j03 n ALA 115 Ca 0.08 0.06 -0.32 0.00 0.00 0.00 0.00 53.44 53.26 2j03 n ALA 115 Cb 1.08 -2.76 -0.14 0.00 0.00 0.00 0.00 19.45 17.63 2j03 n ALA 115 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 2j03 s LEU 116 N -4.01 2.46 -0.04 0.00 2.96 -1.26 -4.78 118.68 114.01 2j03 s LEU 116 Ca 0.20 -0.32 0.22 0.00 -0.22 0.00 0.00 54.13 54.00 2j03 s LEU 116 Cb -0.03 -1.48 -0.33 0.00 0.50 0.00 0.00 46.19 44.85 2j03 s LEU 116 CO 0.32 0.31 0.45 -1.84 -1.32 0.00 0.00 176.35 174.26 2j03 n GLU 117 N 2.56 0.66 -3.59 1.98 0.28 -1.26 -5.02 120.64 116.26 2j03 n GLU 117 Ca -0.17 -0.19 -0.13 0.00 -0.16 0.00 0.00 57.16 56.52 2j03 n GLU 117 Cb 0.52 -1.52 -0.06 0.00 1.43 0.00 0.00 31.44 31.81 2j03 n GLU 117 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 177.13 177.12 2j03 s LYS 118 N -3.44 0.74 0.00 3.44 1.02 -1.26 -5.04 119.74 115.20 2j03 s LYS 118 Ca -0.08 0.45 0.00 0.00 0.02 0.00 0.00 55.97 56.36 2j03 s LYS 118 Cb 0.13 0.35 0.00 0.00 -0.52 0.00 0.00 37.83 37.80 2j03 s LYS 118 CO 0.90 -0.18 0.41 -0.35 -0.92 0.00 0.00 175.35 175.22 2j03 n PRO 119 N 1.52 0.35 0.00 -1.68 -0.04 -1.26 -4.90 135.00 128.99 2j03 n PRO 119 Ca -0.14 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.32 2j03 n PRO 119 Cb 0.57 -1.32 0.00 0.00 -0.04 0.00 0.00 33.50 32.70 2j03 n PRO 119 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 2j03 n ILE 120 N 0.99 0.00 -1.31 0.52 5.41 -1.26 -1.40 119.36 122.31 2j03 n ILE 120 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 2j03 n ILE 120 Cb 0.18 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.11 2j03 n ILE 120 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 176.55 177.72 2j03 n LYS 121 N 0.00 0.00 0.00 0.38 4.81 -1.26 -4.95 118.16 117.14 2j03 n LYS 121 Ca 0.00 0.02 0.00 0.00 -0.87 0.00 0.00 58.31 57.46 2j03 n LYS 121 Cb 0.00 -1.31 0.00 0.00 0.02 0.00 0.00 35.03 33.74 2j03 n LYS 121 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 2j03 n GLU 122 N -1.29 0.00 -1.06 1.64 0.00 -1.26 -4.08 120.64 114.59 2j03 n GLU 122 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 57.16 56.81 2j03 n GLU 122 Cb 0.44 0.00 0.07 0.00 0.00 0.00 0.00 31.44 31.95 2j03 n GLU 122 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 2j03 n LEU 123 N 0.00 -1.62 0.00 4.31 4.77 -1.07 -4.96 117.00 118.44 2j03 n LEU 123 Ca 0.00 0.42 0.00 0.00 -0.03 0.00 0.00 56.01 56.40 2j03 n LEU 123 Cb 0.00 -1.06 0.00 0.00 -2.33 0.00 0.00 43.42 40.03 2j03 n LEU 123 CO 0.00 -4.15 0.00 0.61 -1.33 0.00 0.00 177.39 172.52 2j03 n GLY 124 N 2.14 -0.90 3.09 -0.72 0.00 -1.25 -4.98 105.19 102.56 2j03 n GLY 124 Ca 0.06 -1.22 -0.36 0.00 0.00 0.00 0.00 46.02 44.50 2j03 n GLY 124 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2j03 s GLU 125 N -2.00 2.73 -0.02 1.61 0.41 -1.26 -2.76 118.70 117.40 2j03 s GLU 125 Ca 0.00 -2.75 -0.17 0.00 -0.41 0.00 0.00 54.97 51.64 2j03 s GLU 125 Cb 0.00 -3.77 -0.05 0.00 -1.78 0.00 0.00 34.13 28.53 2j03 s GLU 125 CO 0.00 -1.20 0.46 0.71 -0.49 0.00 0.00 175.26 174.74 2j03 s TYR 126 N -0.44 3.68 -0.07 1.61 4.12 -0.57 -4.93 117.35 120.74 2j03 s TYR 126 Ca 0.20 1.02 0.01 0.00 0.02 0.00 0.00 57.07 58.31 2j03 s TYR 126 Cb -0.17 -2.41 0.02 0.00 -1.52 0.00 0.00 41.96 37.88 2j03 s TYR 126 CO -0.06 0.49 -0.08 0.08 0.02 0.00 0.00 175.55 176.00 2j03 s VAL 127 N -0.58 0.89 0.00 0.71 1.01 -1.26 0.22 120.40 121.39 2j03 s VAL 127 Ca 0.25 -0.29 0.00 0.00 0.00 0.00 0.00 61.98 61.95 2j03 s VAL 127 Cb -0.17 -0.88 0.00 0.00 0.00 0.00 0.00 36.38 35.33 2j03 s VAL 127 CO 0.14 0.32 0.00 0.18 0.00 0.00 0.00 175.10 175.73 2j03 n LEU 128 N 4.29 0.00 -3.64 3.92 4.32 0.91 -4.96 117.00 121.84 2j03 n LEU 128 Ca -0.19 0.00 -0.05 0.00 -0.02 0.00 0.00 56.01 55.74 2j03 n LEU 128 Cb 0.51 0.00 -0.07 0.00 -1.62 0.00 0.00 43.42 42.24 2j03 n LEU 128 CO 0.21 0.00 0.39 -0.89 -1.22 0.00 0.00 177.39 175.88 2j03 s THR 129 N 3.67 -0.13 0.62 -5.08 2.01 -1.26 -3.60 115.64 111.88 2j03 s THR 129 Ca 0.00 0.00 -0.11 0.00 0.31 0.00 0.00 61.69 61.89 2j03 s THR 129 Cb 0.00 -1.00 0.15 0.00 0.01 0.00 0.00 72.50 71.66 2j03 s THR 129 CO 0.00 0.00 0.72 0.00 -0.69 0.00 0.00 174.62 174.65 2j03 n TYR 130 N 4.38 -3.82 -3.95 4.92 9.36 -1.12 -4.17 117.16 122.76 2j03 n TYR 130 Ca -0.19 -0.64 -0.09 0.00 3.32 0.00 0.00 57.90 60.31 2j03 n TYR 130 Cb 0.58 -0.62 -0.08 0.00 -0.63 0.00 0.00 39.34 38.58 2j03 n TYR 130 CO 0.00 0.00 0.00 0.21 0.22 0.00 0.00 176.86 177.29 2j03 s LYS 131 N -4.60 0.85 0.00 2.98 2.20 -0.93 -4.47 119.74 115.77 2j03 s LYS 131 Ca 0.43 -1.09 0.00 0.00 -0.36 0.00 0.00 55.97 54.95 2j03 s LYS 131 Cb -0.02 0.31 0.00 0.00 -1.51 0.00 0.00 37.83 36.61 2j03 s LYS 131 CO 0.31 -0.25 0.00 -2.30 -0.36 0.00 0.00 175.35 172.75 2j03 n PRO 132 N -0.05 3.07 0.00 4.03 -0.02 -1.26 -4.85 135.00 135.92 2j03 n PRO 132 Ca -0.13 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.35 2j03 n PRO 132 Cb 0.62 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.10 2j03 n PRO 132 CO 0.00 0.00 0.00 -2.39 1.98 0.00 0.00 175.50 175.09 2j03 n HIS 133 N 0.00 0.00 -1.55 6.00 1.44 -1.26 -4.21 115.22 115.65 2j03 n HIS 133 Ca 0.00 0.00 -0.58 0.00 -2.01 0.00 0.00 57.72 55.13 2j03 n HIS 133 Cb 0.00 0.00 -0.08 0.00 0.12 0.00 0.00 29.99 30.03 2j03 n HIS 133 CO 0.00 0.00 0.00 -2.30 -2.81 0.00 0.00 176.34 171.23 2j03 n PRO 134 N 0.00 0.26 -3.44 -1.40 -0.02 -1.26 -4.90 135.00 124.25 2j03 n PRO 134 Ca 0.00 0.10 -0.28 0.00 -2.02 0.00 0.00 63.50 61.29 2j03 n PRO 134 Cb 0.00 -1.63 -0.03 0.00 -0.02 0.00 0.00 33.50 31.82 2j03 n PRO 134 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 2j03 s GLU 135 N 0.50 3.61 -0.39 -0.52 8.01 -1.26 -4.89 118.70 123.77 2j03 s GLU 135 Ca 0.91 -0.07 0.02 0.00 0.01 0.00 0.00 54.97 55.84 2j03 s GLU 135 Cb -1.22 -2.70 0.12 0.00 -4.31 0.00 0.00 34.13 26.01 2j03 s GLU 135 CO 0.58 0.27 0.16 0.54 0.01 0.00 0.00 175.26 176.81 2j03 s VAL 136 N -2.01 1.53 -0.57 2.63 0.11 -1.26 -4.95 120.40 115.87 2j03 s VAL 136 Ca 0.43 -2.22 -0.26 0.00 -2.93 0.00 0.00 61.98 57.00 2j03 s VAL 136 Cb -0.11 -2.11 -0.06 0.00 -1.53 0.00 0.00 36.38 32.58 2j03 s VAL 136 CO 0.29 -0.76 2.19 -2.16 -3.33 0.00 0.00 175.10 171.34 2j03 s PRO 137 N 0.81 2.27 0.12 1.54 0.04 -1.26 -2.80 135.00 135.72 2j03 s PRO 137 Ca 0.14 0.99 -0.18 0.00 0.04 0.00 0.00 61.00 61.99 2j03 s PRO 137 Cb -0.21 -4.55 -0.07 0.00 0.04 0.00 0.00 34.50 29.71 2j03 s PRO 137 CO -0.10 -3.17 0.59 0.42 0.04 0.00 0.00 177.00 174.78 2j03 s ILE 138 N 11.17 4.75 0.20 0.56 1.01 -1.20 -3.90 121.20 133.80 2j03 s ILE 138 Ca 0.85 1.09 0.08 0.00 0.00 0.00 0.00 60.65 62.67 2j03 s ILE 138 Cb -0.15 -3.84 -0.04 0.00 0.01 0.00 0.00 42.46 38.45 2j03 s ILE 138 CO 0.22 0.39 -0.00 -1.58 0.00 0.00 0.00 174.94 173.97 2j03 s GLN 139 N -1.54 2.36 -0.07 2.79 0.74 -1.23 -0.06 119.66 122.66 2j03 s GLN 139 Ca 0.34 -1.19 0.02 0.00 0.05 0.00 0.00 55.36 54.57 2j03 s GLN 139 Cb -0.17 -2.30 0.02 0.00 1.10 0.00 0.00 33.01 31.65 2j03 s GLN 139 CO 0.19 0.43 -0.10 -1.17 -0.55 0.00 0.00 175.29 174.09 2j03 s LEU 140 N -3.14 1.51 -0.91 3.68 2.96 0.59 -1.32 118.68 122.06 2j03 s LEU 140 Ca 0.28 -0.26 -0.01 0.00 -0.22 0.00 0.00 54.13 53.92 2j03 s LEU 140 Cb -0.08 -0.74 0.24 0.00 0.50 0.00 0.00 46.19 46.11 2j03 s LEU 140 CO 0.19 -0.00 0.92 0.29 -1.32 0.00 0.00 176.35 176.42 2j03 n LYS 141 N 4.00 2.99 -1.93 1.98 5.02 -1.26 -1.51 118.16 127.46 2j03 n LYS 141 Ca -0.22 -4.52 -0.43 0.00 -2.02 0.00 0.00 58.31 51.12 2j03 n LYS 141 Cb 0.51 -2.41 -0.03 0.00 -0.02 0.00 0.00 35.03 33.08 2j03 n LYS 141 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 2j03 s VAL 142 N -1.79 3.40 0.50 -0.18 -7.23 -1.11 -1.92 120.40 112.07 2j03 s VAL 142 Ca 0.30 0.42 0.08 0.00 -1.81 0.00 0.00 61.98 60.98 2j03 s VAL 142 Cb -0.02 -3.50 0.03 0.00 0.56 0.00 0.00 36.38 33.45 2j03 s VAL 142 CO -0.07 -0.29 0.53 -0.55 -0.31 0.00 0.00 175.10 174.42 2j03 s SER 143 N 6.09 5.01 0.10 4.85 0.15 0.22 -3.91 113.70 126.21 2j03 s SER 143 Ca 0.83 -0.89 0.00 0.00 0.70 0.00 0.00 55.95 56.59 2j03 s SER 143 Cb -0.26 -0.02 0.00 0.00 -1.71 0.00 0.00 66.02 64.03 2j03 s SER 143 CO 0.34 -1.01 0.00 0.52 1.20 0.00 0.00 173.24 174.29 2j03 n VAL 144 N -1.86 0.00 -0.67 4.45 0.31 -1.26 -1.97 118.33 117.33 2j03 n VAL 144 Ca 0.06 0.00 0.09 0.00 -0.01 0.00 0.00 64.34 64.48 2j03 n VAL 144 Cb 0.62 -1.14 -0.02 0.00 -0.91 0.00 0.00 33.84 32.39 2j03 n VAL 144 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 2j03 n VAL 145 N -0.80 0.00 0.00 2.52 0.31 -1.26 -4.71 118.33 114.38 2j03 n VAL 145 Ca 0.00 0.03 0.00 0.00 -0.01 0.00 0.00 64.34 64.36 2j03 n VAL 145 Cb 0.00 -0.26 0.00 0.00 -0.91 0.00 0.00 33.84 32.67 2j03 n VAL 145 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51