#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2j03 n ASN 2 N 0.00 0.00 -3.17 6.12 3.02 -1.26 -0.96 115.26 119.01 2j03 n ASN 2 Ca 0.00 0.26 -0.23 0.00 -0.03 0.00 0.00 54.58 54.59 2j03 n ASN 2 Cb 0.00 -0.26 -0.05 0.00 -0.61 0.00 0.00 39.78 38.86 2j03 n ASN 2 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2j03 n ARG 3 N -1.26 1.57 -0.63 3.52 5.12 -1.26 -4.89 116.66 118.83 2j03 n ARG 3 Ca 0.00 -3.82 0.50 0.00 -1.93 0.00 0.00 57.85 52.60 2j03 n ARG 3 Cb 0.23 -1.75 0.81 0.00 -1.16 0.00 0.00 32.46 30.58 2j03 n ARG 3 CO 0.00 0.00 0.00 0.78 -1.93 0.00 0.00 177.63 176.48 2j03 h GLY 4 N 3.44 0.04 0.12 -0.13 0.00 -1.49 0.31 103.07 105.36 2j03 h GLY 4 Ca 0.11 -0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.43 2j03 h GLY 4 CO 0.60 -0.01 -0.06 0.00 0.00 0.00 0.00 176.54 177.07 2j03 h ALA 5 N 1.10 -0.41 -1.00 3.60 0.00 -1.90 -2.79 119.26 117.86 2j03 h ALA 5 Ca 0.86 -0.04 0.36 0.00 0.00 0.00 0.00 54.91 56.10 2j03 h ALA 5 Cb 3.45 0.06 -0.16 0.00 0.00 0.00 0.00 17.79 21.14 2j03 h ALA 5 CO -0.02 -0.40 0.54 1.25 0.00 0.00 0.00 179.25 180.62 2j03 h LEU 6 N -0.36 0.41 0.00 0.00 6.46 -0.93 0.73 115.31 121.62 2j03 h LEU 6 Ca -0.02 0.22 0.00 0.00 -0.12 0.00 0.00 57.88 57.96 2j03 h LEU 6 Cb 0.12 0.20 0.00 0.00 -0.73 0.00 0.00 40.66 40.25 2j03 h LEU 6 CO 0.03 -0.26 0.00 -0.38 -0.62 0.00 0.00 178.44 177.20 2j03 n ILE 7 N -5.15 0.00 -0.33 4.05 2.08 0.35 -0.20 119.36 120.16 2j03 n ILE 7 Ca 0.34 1.45 0.18 0.00 0.56 0.00 0.00 62.75 65.28 2j03 n ILE 7 Cb 1.10 -2.44 0.35 0.00 -0.75 0.00 0.00 39.64 37.90 2j03 n ILE 7 CO 0.00 0.00 0.00 0.50 0.56 0.00 0.00 176.55 177.61 2j03 h LYS 8 N 0.00 0.03 0.41 0.38 3.64 -0.37 0.63 116.57 121.28 2j03 h LYS 8 Ca 0.00 -0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 2j03 h LYS 8 Cb 0.00 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 31.79 2j03 h LYS 8 CO 0.00 0.02 -0.47 -0.07 -2.27 0.00 0.00 179.45 176.66 2j03 h LEU 9 N 0.03 -1.29 -0.44 5.20 3.38 0.60 -2.89 115.31 119.90 2j03 h LEU 9 Ca 0.65 0.11 0.04 0.00 0.09 0.00 0.00 57.88 58.77 2j03 h LEU 9 Cb 1.43 0.44 -0.06 0.00 0.09 0.00 0.00 40.66 42.55 2j03 h LEU 9 CO -0.87 -0.61 -0.35 0.58 0.09 0.00 0.00 178.44 177.28 2j03 h VAL 10 N -0.90 0.00 -0.74 1.22 2.07 0.36 0.78 116.25 119.04 2j03 h VAL 10 Ca -0.04 0.00 0.30 0.00 0.82 0.00 0.00 66.70 67.78 2j03 h VAL 10 Cb 0.80 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 30.46 2j03 h VAL 10 CO -0.10 0.00 0.42 -0.62 0.02 0.00 0.00 177.57 177.29 2j03 n GLU 11 N -4.37 -0.04 -2.79 1.57 4.71 -0.84 -2.99 120.64 115.90 2j03 n GLU 11 Ca -0.00 0.93 -0.43 0.00 -0.01 0.00 0.00 57.16 57.65 2j03 n GLU 11 Cb 0.18 -1.70 -0.03 0.00 -1.01 0.00 0.00 31.44 28.88 2j03 n GLU 11 CO 0.00 0.00 0.00 -1.54 0.09 0.00 0.00 177.13 175.68 2j03 s SER 12 N -4.61 6.40 -0.14 1.62 1.04 0.27 -4.71 113.70 113.56 2j03 s SER 12 Ca -0.06 -1.41 0.15 0.00 0.48 0.00 0.00 55.95 55.12 2j03 s SER 12 Cb 0.23 -2.46 0.32 0.00 0.10 0.00 0.00 66.02 64.21 2j03 s SER 12 CO 0.54 -1.36 1.16 -1.14 0.98 0.00 0.00 173.24 173.42 2j03 n ARG 13 N 7.72 1.23 -0.29 4.02 0.00 -1.16 -4.60 116.66 123.58 2j03 n ARG 13 Ca 0.15 -2.68 0.09 0.00 -0.00 0.00 0.00 57.85 55.41 2j03 n ARG 13 Cb 0.48 -1.40 0.25 0.00 0.00 0.00 0.00 32.46 31.79 2j03 n ARG 13 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.63 178.29 2j03 n TYR 14 N -1.15 0.77 -0.75 -0.14 4.02 -1.26 -4.99 117.16 113.66 2j03 n TYR 14 Ca 0.15 -0.51 -0.19 0.00 -0.01 0.00 0.00 57.90 57.34 2j03 n TYR 14 Cb 0.68 -0.02 0.17 0.00 -0.02 0.00 0.00 39.34 40.15 2j03 n TYR 14 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 176.86 177.18 2j03 n VAL 15 N 1.13 0.00 -3.64 -0.72 0.24 -1.26 -4.84 118.33 109.24 2j03 n VAL 15 Ca 0.19 -0.26 -0.08 0.00 -2.04 0.00 0.00 64.34 62.15 2j03 n VAL 15 Cb 0.55 -1.07 -0.07 0.00 -1.47 0.00 0.00 33.84 31.77 2j03 n VAL 15 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 2j03 s ARG 16 N -4.56 0.56 -0.33 7.34 1.81 -1.26 -5.06 118.95 117.45 2j03 s ARG 16 Ca 0.45 0.78 -0.03 0.00 -1.72 0.00 0.00 55.73 55.22 2j03 s ARG 16 Cb -0.05 0.21 0.06 0.00 -0.45 0.00 0.00 34.95 34.72 2j03 s ARG 16 CO 0.35 -0.09 0.05 -0.08 -0.68 0.00 0.00 175.30 174.86 2j03 s THR 17 N 0.78 3.16 0.00 0.02 -1.32 -1.26 -4.67 115.64 112.35 2j03 s THR 17 Ca -0.03 -1.47 0.00 0.00 -1.21 0.00 0.00 61.69 58.98 2j03 s THR 17 Cb -0.05 -2.88 0.00 0.00 -1.51 0.00 0.00 72.50 68.06 2j03 s THR 17 CO -0.10 -0.23 0.00 -0.90 -2.21 0.00 0.00 174.62 171.19 2j03 n ASP 18 N 4.64 0.00 -4.77 8.08 5.75 -1.26 -5.13 116.55 123.87 2j03 n ASP 18 Ca -0.11 0.00 -0.39 0.00 -0.01 0.00 0.00 54.79 54.28 2j03 n ASP 18 Cb 0.43 0.00 -0.03 0.00 -1.03 0.00 0.00 41.12 40.49 2j03 n ASP 18 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 2j03 s LEU 19 N -0.21 4.40 0.99 -2.12 1.43 -1.26 -4.99 118.68 116.91 2j03 s LEU 19 Ca 0.00 2.36 -0.14 0.00 -1.03 0.00 0.00 54.13 55.31 2j03 s LEU 19 Cb 0.00 -3.78 0.04 0.00 0.03 0.00 0.00 46.19 42.48 2j03 s LEU 19 CO 0.00 -0.39 0.28 -2.65 0.23 0.00 0.00 176.35 173.81 2j03 n PRO 20 N 0.71 -0.57 -3.63 1.29 -0.02 -1.26 -4.97 135.00 126.54 2j03 n PRO 20 Ca 0.01 -0.13 -0.39 0.00 -2.02 0.00 0.00 63.50 60.97 2j03 n PRO 20 Cb 0.45 -1.79 -0.10 0.00 -0.02 0.00 0.00 33.50 32.04 2j03 n PRO 20 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 2j03 s GLU 21 N -3.54 2.42 0.42 -0.52 2.12 -1.26 -5.07 118.70 113.27 2j03 s GLU 21 Ca 0.56 -1.65 0.07 0.00 0.36 0.00 0.00 54.97 54.32 2j03 s GLU 21 Cb -0.19 -3.77 -0.04 0.00 0.26 0.00 0.00 34.13 30.39 2j03 s GLU 21 CO 0.68 -1.06 0.24 -0.59 -0.54 0.00 0.00 175.26 173.99 2j03 s PHE 22 N 1.33 2.60 -0.29 5.30 -0.12 -1.26 -5.15 117.98 120.39 2j03 s PHE 22 Ca 0.05 -0.57 -0.14 0.00 -0.05 0.00 0.00 56.93 56.22 2j03 s PHE 22 Cb -0.24 -2.02 0.12 0.00 -0.63 0.00 0.00 43.02 40.25 2j03 s PHE 22 CO -0.01 0.08 0.76 -0.98 -0.05 0.00 0.00 175.22 175.03 2j03 s ARG 23 N -3.98 0.56 0.00 1.99 1.70 -1.26 -5.00 118.95 112.96 2j03 s ARG 23 Ca 0.43 1.15 0.00 0.00 -0.47 0.00 0.00 55.73 56.83 2j03 s ARG 23 Cb 0.02 0.42 0.00 0.00 -0.57 0.00 0.00 34.95 34.82 2j03 s ARG 23 CO 0.24 -0.15 0.00 -2.30 -1.08 0.00 0.00 175.30 172.01 2j03 n PRO 24 N 4.69 -0.80 0.00 3.89 -0.02 -1.26 -4.66 135.00 136.84 2j03 n PRO 24 Ca -0.16 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.32 2j03 n PRO 24 Cb 0.55 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.03 2j03 n PRO 24 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2j03 n GLY 25 N -0.72 0.82 2.68 -1.23 0.00 -1.26 -4.63 105.19 100.84 2j03 n GLY 25 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.99 2j03 n GLY 25 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2j03 n ASP 26 N 0.00 -1.57 -1.04 1.61 4.64 -1.24 -4.04 116.55 114.91 2j03 n ASP 26 Ca 0.00 -1.09 0.00 0.00 -1.38 0.00 0.00 54.79 52.32 2j03 n ASP 26 Cb 0.00 0.79 0.00 0.00 -1.04 0.00 0.00 41.12 40.87 2j03 n ASP 26 CO 0.00 0.00 0.00 1.07 -0.82 0.00 0.00 177.20 177.45 2j03 n THR 27 N 2.56 0.00 0.00 5.18 5.66 -1.25 -2.66 114.28 123.77 2j03 n THR 27 Ca 0.11 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.11 2j03 n THR 27 Cb 0.65 -0.63 0.00 0.00 -1.55 0.00 0.00 70.33 68.80 2j03 n THR 27 CO 0.00 0.00 0.00 0.52 -3.05 0.00 0.00 175.07 172.54 2j03 n VAL 28 N 0.00 0.00 -3.56 1.08 0.31 -1.02 -4.10 118.33 111.03 2j03 n VAL 28 Ca 0.00 0.00 -0.06 0.00 -0.01 0.00 0.00 64.34 64.27 2j03 n VAL 28 Cb 0.00 0.00 -0.02 0.00 -0.91 0.00 0.00 33.84 32.91 2j03 n VAL 28 CO 0.00 0.00 0.00 -0.60 -1.32 0.00 0.00 176.83 174.91 2j03 s ARG 29 N 0.00 0.53 0.00 5.55 6.06 -1.21 -4.23 118.95 125.65 2j03 s ARG 29 Ca 0.00 -0.20 0.00 0.00 -2.50 0.00 0.00 55.73 53.03 2j03 s ARG 29 Cb 0.00 0.24 0.00 0.00 0.06 0.00 0.00 34.95 35.25 2j03 s ARG 29 CO 0.00 -0.23 0.00 1.33 -2.50 0.00 0.00 175.30 173.90 2j03 n VAL 30 N -0.17 0.00 -1.28 7.11 0.24 -1.26 -4.16 118.33 118.81 2j03 n VAL 30 Ca -0.04 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.26 2j03 n VAL 30 Cb 0.60 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.97 2j03 n VAL 30 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 2j03 n SER 31 N 0.00 0.40 0.04 -1.34 3.41 -0.93 -4.76 113.62 110.44 2j03 n SER 31 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 2j03 n SER 31 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 2j03 n SER 31 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2j03 n TYR 32 N 0.00 -0.65 -2.07 7.33 -0.00 -1.23 -4.04 117.16 116.50 2j03 n TYR 32 Ca 0.00 0.12 0.00 0.00 -0.00 0.00 0.00 57.90 58.02 2j03 n TYR 32 Cb 0.00 0.44 0.00 0.00 -0.00 0.00 0.00 39.34 39.78 2j03 n TYR 32 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.86 178.49 2j03 n LYS 33 N -2.80 -5.10 -4.10 -3.48 4.76 -1.23 -2.88 118.16 103.32 2j03 n LYS 33 Ca 0.00 3.68 -0.33 0.00 -2.87 0.00 0.00 58.31 58.79 2j03 n LYS 33 Cb 0.00 -4.15 -0.16 0.00 -1.84 0.00 0.00 35.03 28.89 2j03 n LYS 33 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 2j03 s VAL 34 N -0.51 2.13 -1.62 -0.18 1.01 -1.26 -3.39 120.40 116.57 2j03 s VAL 34 Ca 0.00 -1.03 0.00 0.00 0.00 0.00 0.00 61.98 60.95 2j03 s VAL 34 Cb 0.00 -1.95 0.00 0.00 0.00 0.00 0.00 36.38 34.43 2j03 s VAL 34 CO 0.00 0.45 0.00 2.29 0.00 0.00 0.00 175.10 177.84 2j03 n LYS 35 N 4.60 -0.41 -0.72 2.72 2.85 -0.80 -4.99 118.16 121.41 2j03 n LYS 35 Ca -0.20 0.00 -0.03 0.00 -1.05 0.00 0.00 58.31 57.03 2j03 n LYS 35 Cb 0.49 0.00 -0.01 0.00 -0.65 0.00 0.00 35.03 34.86 2j03 n LYS 35 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 177.40 175.44 2j03 n GLU 36 N 0.00 -1.78 0.00 -1.58 2.13 -1.26 0.12 120.64 118.28 2j03 n GLU 36 Ca 0.00 0.35 0.00 0.00 0.66 0.00 0.00 57.16 58.17 2j03 n GLU 36 Cb 0.00 -4.04 0.00 0.00 0.27 0.00 0.00 31.44 27.67 2j03 n GLU 36 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2j03 n GLY 37 N 0.29 3.00 3.50 8.31 0.00 -1.26 -5.00 105.19 114.02 2j03 n GLY 37 Ca -0.03 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.66 2j03 n GLY 37 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2j03 s ASN 38 N -1.31 4.15 0.00 1.61 4.22 0.33 -5.00 114.94 118.94 2j03 s ASN 38 Ca 0.00 -0.16 0.00 0.00 -2.14 0.00 0.00 52.86 50.56 2j03 s ASN 38 Cb 0.00 -0.91 0.00 0.00 1.28 0.00 0.00 41.25 41.62 2j03 s ASN 38 CO 0.00 0.35 0.85 0.54 -2.04 0.00 0.00 177.10 176.80 2j03 n ARG 39 N 2.28 0.87 -3.38 3.55 1.74 -1.26 -1.90 116.66 118.57 2j03 n ARG 39 Ca -0.17 0.00 -0.20 0.00 -0.77 0.00 0.00 57.85 56.71 2j03 n ARG 39 Cb 0.52 -1.02 -0.01 0.00 -1.02 0.00 0.00 32.46 30.93 2j03 n ARG 39 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 2j03 s THR 40 N -1.95 2.60 0.00 0.55 -4.23 -1.22 -4.52 115.64 106.87 2j03 s THR 40 Ca 0.00 -1.22 0.00 0.00 -1.18 0.00 0.00 61.69 59.29 2j03 s THR 40 Cb 0.00 -2.82 0.00 0.00 1.34 0.00 0.00 72.50 71.02 2j03 s THR 40 CO 0.00 0.00 0.00 -1.14 -0.54 0.00 0.00 174.62 172.94 2j03 n ARG 41 N -1.73 0.00 -0.83 3.99 0.00 -1.14 -4.58 116.66 112.37 2j03 n ARG 41 Ca 0.06 0.00 -0.17 0.00 -0.00 0.00 0.00 57.85 57.74 2j03 n ARG 41 Cb 0.61 0.00 0.08 0.00 0.00 0.00 0.00 32.46 33.16 2j03 n ARG 41 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.63 178.07 2j03 n ILE 42 N 0.00 2.56 -1.07 5.15 -5.35 -1.26 -3.55 119.36 115.84 2j03 n ILE 42 Ca 0.00 -1.45 -0.42 0.00 -0.27 0.00 0.00 62.75 60.61 2j03 n ILE 42 Cb 0.00 -0.92 -0.06 0.00 -1.74 0.00 0.00 39.64 36.92 2j03 n ILE 42 CO 0.00 0.00 0.00 1.67 -1.76 0.00 0.00 176.55 176.46 2j03 n GLN 43 N -0.27 0.00 -2.34 6.28 7.27 -1.26 -3.79 117.38 123.27 2j03 n GLN 43 Ca 0.36 0.00 -0.20 0.00 0.07 0.00 0.00 57.00 57.23 2j03 n GLN 43 Cb 0.97 -1.03 0.11 0.00 2.41 0.00 0.00 30.24 32.70 2j03 n GLN 43 CO 0.00 0.00 0.00 -0.25 0.07 0.00 0.00 177.06 176.88 2j03 n ASP 44 N 1.50 1.20 -3.37 1.69 9.92 -1.26 -2.20 116.55 124.03 2j03 n ASP 44 Ca 0.16 -2.01 -0.22 0.00 -0.53 0.00 0.00 54.79 52.19 2j03 n ASP 44 Cb 0.03 -0.57 -0.09 0.00 -0.64 0.00 0.00 41.12 39.85 2j03 n ASP 44 CO 0.00 0.00 0.00 0.12 0.13 0.00 0.00 177.20 177.45 2j03 s PHE 45 N -2.70 0.21 -0.32 1.24 5.36 -1.26 -4.87 117.98 115.65 2j03 s PHE 45 Ca 0.58 -1.33 -0.28 0.00 -0.96 0.00 0.00 56.93 54.94 2j03 s PHE 45 Cb -0.03 -0.62 -0.03 0.00 -0.34 0.00 0.00 43.02 42.00 2j03 s PHE 45 CO 0.39 -0.91 1.94 -2.00 -1.46 0.00 0.00 175.22 173.17 2j03 s GLU 46 N 1.05 3.21 0.28 10.12 2.56 -1.26 -3.34 118.70 131.32 2j03 s GLU 46 Ca 0.21 1.56 -0.19 0.00 0.00 0.00 0.00 54.97 56.54 2j03 s GLU 46 Cb -0.14 -4.27 0.06 0.00 2.00 0.00 0.00 34.13 31.78 2j03 s GLU 46 CO -0.04 -2.01 0.90 0.20 -0.56 0.00 0.00 175.26 173.75 2j03 s GLY 47 N 6.98 0.19 0.12 -1.50 0.00 -1.26 -4.46 107.32 107.40 2j03 s GLY 47 Ca 0.85 -0.49 0.05 0.00 0.00 0.00 0.00 44.72 45.14 2j03 s GLY 47 CO 0.33 0.86 0.04 -0.42 0.00 0.00 0.00 173.10 173.91 2j03 s ILE 48 N -2.41 4.12 -0.54 0.90 1.09 -1.15 -3.90 121.20 119.32 2j03 s ILE 48 Ca 0.18 -1.07 -0.20 0.00 -1.10 0.00 0.00 60.65 58.46 2j03 s ILE 48 Cb -0.04 -3.02 0.07 0.00 -1.06 0.00 0.00 42.46 38.41 2j03 s ILE 48 CO 0.08 0.02 0.69 0.54 -0.10 0.00 0.00 174.94 176.18 2j03 s VAL 49 N -1.50 4.78 0.18 2.92 0.11 -1.26 0.40 120.40 126.02 2j03 s VAL 49 Ca 0.28 -0.50 -0.02 0.00 -2.93 0.00 0.00 61.98 58.81 2j03 s VAL 49 Cb -0.11 -4.38 -0.10 0.00 -1.53 0.00 0.00 36.38 30.26 2j03 s VAL 49 CO 0.20 -0.94 1.44 0.40 -3.33 0.00 0.00 175.10 172.87 2j03 h ILE 50 N 5.90 1.36 -1.65 7.04 5.03 -1.28 -3.37 117.51 130.54 2j03 h ILE 50 Ca -0.28 -2.06 0.05 0.00 -0.12 0.00 0.00 64.86 62.45 2j03 h ILE 50 Cb 1.09 2.04 -0.23 0.00 -3.03 0.00 0.00 36.82 36.69 2j03 h ILE 50 CO 1.02 0.62 0.46 -0.60 -0.68 0.00 0.00 178.15 178.97 2j03 s ARG 51 N -3.70 0.65 -0.23 2.37 3.52 -1.22 -1.78 118.95 118.56 2j03 s ARG 51 Ca -0.06 0.29 0.01 0.00 -0.13 0.00 0.00 55.73 55.84 2j03 s ARG 51 Cb 0.11 0.31 0.06 0.00 -1.56 0.00 0.00 34.95 33.86 2j03 s ARG 51 CO 0.84 -0.18 -0.08 0.42 -0.81 0.00 0.00 175.30 175.49 2j03 s ILE 52 N -0.79 1.72 -0.35 4.11 1.01 -1.26 -0.27 121.20 125.37 2j03 s ILE 52 Ca -0.02 -1.27 -0.07 0.00 0.00 0.00 0.00 60.65 59.28 2j03 s ILE 52 Cb -0.01 -1.90 0.04 0.00 0.01 0.00 0.00 42.46 40.59 2j03 s ILE 52 CO 0.01 -0.01 0.13 -0.60 0.00 0.00 0.00 174.94 174.48 2j03 s ARG 53 N 1.32 2.66 0.41 2.79 3.00 -0.50 -4.97 118.95 123.66 2j03 s ARG 53 Ca -0.05 -1.18 -0.22 0.00 -1.00 0.00 0.00 55.73 53.28 2j03 s ARG 53 Cb -0.18 -3.53 -0.11 0.00 0.00 0.00 0.00 34.95 31.13 2j03 s ARG 53 CO -0.06 -0.69 0.96 1.03 0.00 0.00 0.00 175.30 176.53 2j03 s ARG 54 N 1.43 4.28 -0.04 5.12 0.52 -1.26 -2.71 118.95 126.29 2j03 s ARG 54 Ca -0.01 1.20 0.02 0.00 -0.52 0.00 0.00 55.73 56.42 2j03 s ARG 54 Cb -0.20 -2.33 0.05 0.00 0.52 0.00 0.00 34.95 33.00 2j03 s ARG 54 CO 0.04 0.01 0.78 -1.71 0.02 0.00 0.00 175.30 174.44 2j03 n ASN 55 N -0.37 -0.74 0.00 0.23 5.15 -1.26 -4.97 115.26 113.30 2j03 n ASN 55 Ca 0.06 -1.45 0.00 0.00 -0.60 0.00 0.00 54.58 52.59 2j03 n ASN 55 Cb 0.53 0.25 0.00 0.00 -0.53 0.00 0.00 39.78 40.03 2j03 n ASN 55 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2j03 n GLY 56 N -0.20 1.79 3.74 8.20 0.00 -1.26 -4.54 105.19 112.92 2j03 n GLY 56 Ca -0.18 0.10 -0.29 0.00 0.00 0.00 0.00 46.02 45.66 2j03 n GLY 56 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2j03 s PHE 57 N 0.00 2.19 0.00 1.61 5.99 -1.26 -4.55 117.98 121.96 2j03 s PHE 57 Ca 0.00 -0.77 0.00 0.00 0.00 0.00 0.00 56.93 56.16 2j03 s PHE 57 Cb 0.00 -1.79 0.00 0.00 0.00 0.00 0.00 43.02 41.23 2j03 s PHE 57 CO 0.00 0.17 0.00 0.27 -0.00 0.00 0.00 175.22 175.66 2j03 n ASN 58 N -1.26 -0.28 -4.67 6.13 2.04 -1.26 -4.81 115.26 111.15 2j03 n ASN 58 Ca -0.08 0.00 -0.42 0.00 -0.44 0.00 0.00 54.58 53.63 2j03 n ASN 58 Cb 0.66 -1.13 -0.03 0.00 -2.53 0.00 0.00 39.78 36.75 2j03 n ASN 58 CO 0.00 0.00 0.00 0.28 -0.44 0.00 0.00 177.26 177.10 2j03 s THR 59 N -0.42 3.25 0.54 5.53 -1.32 -1.26 -4.86 115.64 117.10 2j03 s THR 59 Ca 0.00 0.50 0.09 0.00 -1.21 0.00 0.00 61.69 61.07 2j03 s THR 59 Cb 0.00 -3.32 0.07 0.00 -1.51 0.00 0.00 72.50 67.74 2j03 s THR 59 CO 0.00 -0.03 0.74 0.42 -2.21 0.00 0.00 174.62 173.55 2j03 s THR 60 N 3.47 2.36 0.05 5.08 -4.23 -1.10 -4.26 115.64 117.02 2j03 s THR 60 Ca 0.76 -0.99 -0.23 0.00 -1.18 0.00 0.00 61.69 60.05 2j03 s THR 60 Cb -0.38 -2.36 0.06 0.00 1.34 0.00 0.00 72.50 71.16 2j03 s THR 60 CO 0.33 0.00 0.54 0.72 -0.54 0.00 0.00 174.62 175.67 2j03 s PHE 61 N -2.60 -0.46 0.13 3.99 -0.12 -0.57 -1.41 117.98 116.94 2j03 s PHE 61 Ca 0.60 0.50 0.08 0.00 -0.05 0.00 0.00 56.93 58.07 2j03 s PHE 61 Cb -0.07 0.38 -0.04 0.00 -0.63 0.00 0.00 43.02 42.66 2j03 s PHE 61 CO 0.38 -0.67 -0.20 0.95 -0.05 0.00 0.00 175.22 175.63 2j03 s THR 62 N -2.53 1.78 0.01 -4.49 -4.23 0.63 -0.93 115.64 105.87 2j03 s THR 62 Ca -0.05 -1.71 0.03 0.00 -1.18 0.00 0.00 61.69 58.79 2j03 s THR 62 Cb -0.01 -1.69 -0.01 0.00 1.34 0.00 0.00 72.50 72.13 2j03 s THR 62 CO -0.02 -0.16 -0.10 0.68 -0.54 0.00 0.00 174.62 174.47 2j03 s VAL 63 N -1.52 0.81 -0.10 2.29 -7.23 -0.97 -0.74 120.40 112.94 2j03 s VAL 63 Ca 0.10 -0.68 -0.01 0.00 -1.81 0.00 0.00 61.98 59.59 2j03 s VAL 63 Cb -0.08 -0.73 0.03 0.00 0.56 0.00 0.00 36.38 36.16 2j03 s VAL 63 CO 0.05 0.06 -0.03 -0.60 -0.31 0.00 0.00 175.10 174.27 2j03 s ARG 64 N -0.70 1.03 0.20 4.82 3.52 0.16 -1.00 118.95 126.98 2j03 s ARG 64 Ca 0.01 -0.08 0.05 0.00 -0.13 0.00 0.00 55.73 55.58 2j03 s ARG 64 Cb -0.06 -1.30 -0.05 0.00 -1.56 0.00 0.00 34.95 31.98 2j03 s ARG 64 CO 0.00 -0.30 -0.07 0.21 -0.81 0.00 0.00 175.30 174.33 2j03 s LYS 65 N 1.85 1.25 -0.61 5.12 2.47 0.30 -2.91 119.74 127.21 2j03 s LYS 65 Ca 0.05 -1.59 -0.16 0.00 -1.56 0.00 0.00 55.97 52.71 2j03 s LYS 65 Cb -0.13 -0.75 0.15 0.00 -1.46 0.00 0.00 37.83 35.64 2j03 s LYS 65 CO -0.07 0.03 0.58 0.08 0.16 0.00 0.00 175.35 176.13 2j03 s VAL 66 N -3.27 5.26 -1.17 4.02 1.01 -1.26 0.13 120.40 125.11 2j03 s VAL 66 Ca 0.23 -1.66 -0.20 0.00 0.00 0.00 0.00 61.98 60.35 2j03 s VAL 66 Cb 0.03 -4.38 0.06 0.00 0.00 0.00 0.00 36.38 32.09 2j03 s VAL 66 CO 0.05 -0.93 1.61 -0.55 0.00 0.00 0.00 175.10 175.28 2j03 s SER 67 N 3.31 6.67 1.12 3.32 0.15 0.06 -4.75 113.70 123.58 2j03 s SER 67 Ca 0.07 -1.98 0.00 0.00 0.70 0.00 0.00 55.95 54.74 2j03 s SER 67 Cb -0.25 -2.58 0.00 0.00 -1.71 0.00 0.00 66.02 61.48 2j03 s SER 67 CO 0.01 -1.34 0.00 -1.22 1.20 0.00 0.00 173.24 171.89 2j03 n TYR 68 N 8.66 0.00 -0.09 3.44 0.53 -1.26 -3.51 117.16 124.93 2j03 n TYR 68 Ca 0.41 0.00 -0.14 0.00 -1.02 0.00 0.00 57.90 57.16 2j03 n TYR 68 Cb 0.48 0.00 -0.07 0.00 -1.03 0.00 0.00 39.34 38.72 2j03 n TYR 68 CO 0.00 0.00 0.00 0.78 -1.02 0.00 0.00 176.86 176.62 2j03 h GLY 69 N 0.00 0.00 -4.94 2.72 0.00 -2.01 -3.46 103.07 95.38 2j03 h GLY 69 Ca 0.00 0.00 -0.54 0.00 0.00 0.00 0.00 47.33 46.79 2j03 h GLY 69 CO 0.00 0.00 0.92 0.14 0.00 0.00 0.00 176.54 177.60 2j03 s VAL 70 N -2.25 3.49 0.24 4.60 1.01 -1.23 -5.00 120.40 121.27 2j03 s VAL 70 Ca -0.21 0.87 -0.29 0.00 0.00 0.00 0.00 61.98 62.34 2j03 s VAL 70 Cb 0.03 -3.56 -0.09 0.00 0.00 0.00 0.00 36.38 32.77 2j03 s VAL 70 CO 0.43 -0.01 0.93 -0.83 0.00 0.00 0.00 175.10 175.61 2j03 s GLY 71 N 2.22 3.08 0.05 4.51 0.00 -1.26 -0.76 107.32 115.15 2j03 s GLY 71 Ca 0.68 0.59 0.03 0.00 0.00 0.00 0.00 44.72 46.02 2j03 s GLY 71 CO 0.28 1.14 -0.09 0.14 0.00 0.00 0.00 173.10 174.57 2j03 s VAL 72 N -1.21 0.67 0.00 1.40 1.01 0.35 -4.86 120.40 117.76 2j03 s VAL 72 Ca 0.41 -1.14 0.03 0.00 0.00 0.00 0.00 61.98 61.29 2j03 s VAL 72 Cb -0.25 -0.72 -0.01 0.00 0.00 0.00 0.00 36.38 35.40 2j03 s VAL 72 CO 0.31 -0.35 -0.10 -1.83 0.00 0.00 0.00 175.10 173.13 2j03 s GLU 73 N -1.63 0.74 0.17 2.72 -1.05 -1.25 -0.54 118.70 117.87 2j03 s GLU 73 Ca -0.08 -0.43 0.08 0.00 -0.15 0.00 0.00 54.97 54.39 2j03 s GLU 73 Cb -0.10 -0.71 -0.04 0.00 -0.44 0.00 0.00 34.13 32.84 2j03 s GLU 73 CO 0.01 0.19 -0.06 1.03 0.95 0.00 0.00 175.26 177.37 2j03 s ARG 74 N -0.47 2.19 -0.29 -4.83 1.81 -0.17 -4.94 118.95 112.25 2j03 s ARG 74 Ca 0.02 -1.20 0.03 0.00 -1.72 0.00 0.00 55.73 52.86 2j03 s ARG 74 Cb -0.05 -2.24 0.08 0.00 -0.45 0.00 0.00 34.95 32.29 2j03 s ARG 74 CO -0.00 0.45 -0.03 0.42 -0.68 0.00 0.00 175.30 175.46 2j03 s ILE 75 N -1.69 2.08 -0.24 1.52 1.01 -1.26 -2.29 121.20 120.33 2j03 s ILE 75 Ca 0.26 -1.87 -0.08 0.00 0.00 0.00 0.00 60.65 58.96 2j03 s ILE 75 Cb -0.09 -2.36 -0.04 0.00 0.01 0.00 0.00 42.46 39.98 2j03 s ILE 75 CO 0.16 -0.30 0.09 -0.36 0.00 0.00 0.00 174.94 174.53 2j03 s PHE 76 N 1.08 3.15 -0.57 3.97 2.99 -0.11 -4.95 117.98 123.54 2j03 s PHE 76 Ca 0.00 -0.19 0.15 0.00 0.00 0.00 0.00 56.93 56.89 2j03 s PHE 76 Cb -0.19 -2.22 0.74 0.00 0.00 0.00 0.00 43.02 41.35 2j03 s PHE 76 CO -0.07 -0.18 1.46 -2.30 -0.00 0.00 0.00 175.22 174.12 2j03 n PRO 77 N 4.56 0.09 -1.20 0.24 -0.02 -1.26 -1.51 135.00 135.90 2j03 n PRO 77 Ca -0.16 0.52 -0.07 0.00 -2.02 0.00 0.00 63.50 61.77 2j03 n PRO 77 Cb 0.52 -1.76 -0.03 0.00 -0.02 0.00 0.00 33.50 32.21 2j03 n PRO 77 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 2j03 n LEU 78 N -1.95 -0.17 -3.73 2.45 0.00 -1.26 -4.27 117.00 108.07 2j03 n LEU 78 Ca 0.00 0.17 -0.12 0.00 0.00 0.00 0.00 56.01 56.06 2j03 n LEU 78 Cb 0.07 -1.95 -0.12 0.00 0.00 0.00 0.00 43.42 41.43 2j03 n LEU 78 CO 0.09 -0.69 -0.08 -1.00 0.00 0.00 0.00 177.39 175.71 2j03 s HIS 79 N -1.92 -0.38 0.00 1.96 3.76 -1.26 -4.93 115.29 112.52 2j03 s HIS 79 Ca 0.00 0.87 0.00 0.00 -0.15 0.00 0.00 55.06 55.78 2j03 s HIS 79 Cb 0.00 0.10 0.00 0.00 1.11 0.00 0.00 32.58 33.79 2j03 s HIS 79 CO 0.00 -0.24 0.00 0.45 -0.85 0.00 0.00 174.74 174.10 2j03 n SER 80 N 3.95 0.00 -4.52 1.40 2.88 -1.26 -4.90 113.62 111.17 2j03 n SER 80 Ca -0.22 0.00 -0.14 0.00 -1.33 0.00 0.00 58.87 57.18 2j03 n SER 80 Cb 0.54 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.91 2j03 n SER 80 CO 0.00 0.00 0.00 -2.65 -1.23 0.00 0.00 175.04 171.16 2j03 n PRO 81 N 0.00 0.33 -2.68 -1.46 -0.02 -1.26 -4.45 135.00 125.45 2j03 n PRO 81 Ca 0.00 -0.94 -0.05 0.00 -2.02 0.00 0.00 63.50 60.49 2j03 n PRO 81 Cb 0.00 -3.28 0.09 0.00 -0.02 0.00 0.00 33.50 30.29 2j03 n PRO 81 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2j03 n LEU 82 N 16.69 -1.59 -0.08 2.45 4.32 -1.26 -4.40 117.00 133.14 2j03 n LEU 82 Ca 0.45 -2.25 0.03 0.00 -0.02 0.00 0.00 56.01 54.22 2j03 n LEU 82 Cb 0.41 0.83 0.07 0.00 -1.62 0.00 0.00 43.42 43.11 2j03 n LEU 82 CO 0.62 1.70 0.18 2.30 -1.22 0.00 0.00 177.39 180.97 2j03 n ILE 83 N 0.91 -0.10 -2.89 -0.08 -5.35 -1.26 -4.45 119.36 106.15 2j03 n ILE 83 Ca -0.00 0.50 0.00 0.00 -0.27 0.00 0.00 62.75 62.98 2j03 n ILE 83 Cb 0.72 -0.73 0.00 0.00 -1.74 0.00 0.00 39.64 37.89 2j03 n ILE 83 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2j03 n GLN 84 N -4.06 0.18 -1.82 6.28 10.64 -1.26 -5.09 117.38 122.24 2j03 n GLN 84 Ca 0.05 0.00 -0.01 0.00 -1.83 0.00 0.00 57.00 55.22 2j03 n GLN 84 Cb 0.18 0.00 0.04 0.00 -0.86 0.00 0.00 30.24 29.60 2j03 n GLN 84 CO 0.00 0.00 0.00 1.17 -1.83 0.00 0.00 177.06 176.40 2j03 n LYS 85 N 0.00 0.40 -1.56 2.61 4.81 -1.26 -4.48 118.16 118.68 2j03 n LYS 85 Ca 0.00 -0.36 -0.48 0.00 -0.87 0.00 0.00 58.31 56.60 2j03 n LYS 85 Cb 0.00 0.14 -0.04 0.00 0.02 0.00 0.00 35.03 35.15 2j03 n LYS 85 CO 0.00 0.00 0.00 1.51 1.17 0.00 0.00 177.40 180.08 2j03 n ILE 86 N -0.46 1.23 -3.94 3.15 3.06 -1.26 -4.67 119.36 116.47 2j03 n ILE 86 Ca -0.05 -0.31 -0.32 0.00 -2.50 0.00 0.00 62.75 59.57 2j03 n ILE 86 Cb 0.61 -0.75 -0.05 0.00 0.54 0.00 0.00 39.64 40.00 2j03 n ILE 86 CO 0.00 0.00 0.00 1.51 -2.50 0.00 0.00 176.55 175.56 2j03 s ASP 87 N -0.24 6.22 0.00 9.51 -4.77 -1.26 -2.44 116.67 123.68 2j03 s ASP 87 Ca 0.70 0.25 0.00 0.00 -3.30 0.00 0.00 52.55 50.19 2j03 s ASP 87 Cb -0.84 -1.89 0.00 0.00 -1.09 0.00 0.00 42.92 39.09 2j03 s ASP 87 CO 0.55 0.20 0.00 -0.38 0.70 0.00 0.00 175.17 176.24 2j03 n ILE 88 N 0.53 0.00 -4.12 2.11 5.41 -1.09 -4.91 119.36 117.29 2j03 n ILE 88 Ca -0.07 0.00 -0.35 0.00 1.00 0.00 0.00 62.75 63.33 2j03 n ILE 88 Cb 0.52 0.00 -0.13 0.00 -0.71 0.00 0.00 39.64 39.31 2j03 n ILE 88 CO 0.00 0.00 0.00 -0.69 0.00 0.00 0.00 176.55 175.86 2j03 s VAL 89 N 0.78 3.69 -0.20 1.39 1.01 -1.18 -5.01 120.40 120.88 2j03 s VAL 89 Ca 0.00 -0.41 -0.21 0.00 0.00 0.00 0.00 61.98 61.36 2j03 s VAL 89 Cb 0.00 -2.65 -0.02 0.00 0.00 0.00 0.00 36.38 33.70 2j03 s VAL 89 CO 0.00 0.44 0.66 -1.10 0.00 0.00 0.00 175.10 175.10 2j03 s GLN 90 N 1.02 4.21 0.00 2.72 -0.21 -1.26 -3.73 119.66 122.42 2j03 s GLN 90 Ca 0.01 0.66 0.00 0.00 0.02 0.00 0.00 55.36 56.05 2j03 s GLN 90 Cb -0.15 -3.59 0.00 0.00 1.00 0.00 0.00 33.01 30.28 2j03 s GLN 90 CO 0.01 -0.28 0.00 0.54 -2.12 0.00 0.00 175.29 173.44 2j03 n ARG 91 N 5.17 0.00 0.00 2.91 1.74 -1.26 -3.71 116.66 121.51 2j03 n ARG 91 Ca -0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 2j03 n ARG 91 Cb 0.49 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.93 2j03 n ARG 91 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2j03 n GLY 92 N 0.00 0.73 4.88 -0.13 0.00 -1.20 -4.30 105.19 105.17 2j03 n GLY 92 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2j03 n GLY 92 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2j03 n ARG 93 N -0.10 0.00 -3.07 1.61 0.63 -1.26 -4.05 116.66 110.42 2j03 n ARG 93 Ca 0.00 0.00 -0.08 0.00 -0.92 0.00 0.00 57.85 56.85 2j03 n ARG 93 Cb 0.00 -0.06 0.01 0.00 0.45 0.00 0.00 32.46 32.86 2j03 n ARG 93 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2j03 n ALA 94 N 0.00 -2.62 0.69 5.13 0.00 -1.26 -4.77 120.51 117.68 2j03 n ALA 94 Ca 0.00 0.36 0.05 0.00 0.00 0.00 0.00 53.44 53.85 2j03 n ALA 94 Cb 0.00 -1.38 0.29 0.00 0.00 0.00 0.00 19.45 18.36 2j03 n ALA 94 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2j03 n ARG 95 N 0.65 0.35 -3.88 0.00 5.12 -1.26 -4.75 116.66 112.88 2j03 n ARG 95 Ca -0.00 0.00 -0.09 0.00 -1.93 0.00 0.00 57.85 55.83 2j03 n ARG 95 Cb 0.38 -1.44 -0.07 0.00 -1.16 0.00 0.00 32.46 30.16 2j03 n ARG 95 CO 0.00 0.00 0.00 -0.98 -1.93 0.00 0.00 177.63 174.72 2j03 s ARG 96 N -2.00 0.88 0.00 5.56 1.70 -1.26 -5.13 118.95 118.70 2j03 s ARG 96 Ca 0.15 -1.01 0.00 0.00 -0.47 0.00 0.00 55.73 54.40 2j03 s ARG 96 Cb 0.07 0.34 0.00 0.00 -0.57 0.00 0.00 34.95 34.79 2j03 s ARG 96 CO 0.11 -0.28 0.00 0.00 -1.08 0.00 0.00 175.30 174.05 2j03 n ALA 97 N -0.08 0.00 -2.03 7.88 0.00 -1.26 -4.66 120.51 120.36 2j03 n ALA 97 Ca -0.14 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 52.88 2j03 n ALA 97 Cb 0.62 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.04 2j03 n ALA 97 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2j03 s LYS 98 N 0.00 4.25 -0.51 0.00 3.01 -1.26 -4.84 119.74 120.39 2j03 s LYS 98 Ca 0.00 2.24 0.07 0.00 -1.01 0.00 0.00 55.97 57.28 2j03 s LYS 98 Cb 0.00 -3.23 0.26 0.00 -1.01 0.00 0.00 37.83 33.86 2j03 s LYS 98 CO 0.00 -0.55 0.66 1.47 0.51 0.00 0.00 175.35 177.44 2j03 n LEU 99 N 4.10 2.04 0.00 3.17 -0.00 -0.74 -4.86 117.00 120.71 2j03 n LEU 99 Ca 0.13 -5.10 0.14 0.00 -0.00 0.00 0.00 56.01 51.18 2j03 n LEU 99 Cb 0.40 0.00 0.74 0.00 -0.00 0.00 0.00 43.42 44.57 2j03 n LEU 99 CO 0.60 2.10 1.00 -1.22 -0.00 0.00 0.00 177.39 179.88 2j03 n TYR 100 N 0.99 0.00 0.00 1.47 4.02 -1.26 -3.80 117.16 118.58 2j03 n TYR 100 Ca 0.26 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 58.15 2j03 n TYR 100 Cb 0.48 -0.27 0.00 0.00 -0.02 0.00 0.00 39.34 39.53 2j03 n TYR 100 CO 0.00 0.00 0.00 1.97 -1.01 0.00 0.00 176.86 177.82 2j03 n PHE 101 N -1.27 0.00 -0.01 -0.72 -1.74 -1.26 -0.48 117.46 111.98 2j03 n PHE 101 Ca 0.14 0.00 0.02 0.00 -0.56 0.00 0.00 57.45 57.05 2j03 n PHE 101 Cb 0.23 0.00 -0.13 0.00 1.52 0.00 0.00 39.48 41.10 2j03 n PHE 101 CO 0.00 0.00 0.00 0.44 -0.56 0.00 0.00 176.76 176.64 2j03 n ILE 102 N -0.88 0.77 0.00 1.97 -5.35 -1.25 -4.33 119.36 110.30 2j03 n ILE 102 Ca 0.00 -0.66 0.00 0.00 -0.27 0.00 0.00 62.75 61.82 2j03 n ILE 102 Cb 0.00 -0.36 0.00 0.00 -1.74 0.00 0.00 39.64 37.54 2j03 n ILE 102 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 2j03 n ARG 103 N -2.61 0.00 -0.27 6.28 1.74 0.37 -2.71 116.66 119.46 2j03 n ARG 103 Ca -0.13 0.15 0.17 0.00 -0.77 0.00 0.00 57.85 57.27 2j03 n ARG 103 Cb 0.81 -0.81 0.32 0.00 -1.02 0.00 0.00 32.46 31.76 2j03 n ARG 103 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 2j03 n ASN 104 N -0.46 0.04 -3.89 0.55 3.02 -1.26 -3.34 115.26 109.91 2j03 n ASN 104 Ca 0.00 1.36 -0.30 0.00 -0.03 0.00 0.00 54.58 55.61 2j03 n ASN 104 Cb 0.00 -0.56 -0.14 0.00 -0.61 0.00 0.00 39.78 38.48 2j03 n ASN 104 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2j03 s LEU 105 N -10.06 3.90 0.07 3.41 1.43 -1.10 -5.09 118.68 111.25 2j03 s LEU 105 Ca -0.09 -2.77 0.05 0.00 -1.03 0.00 0.00 54.13 50.28 2j03 s LEU 105 Cb 0.25 -1.47 -0.04 0.00 0.03 0.00 0.00 46.19 44.97 2j03 s LEU 105 CO 0.63 -0.26 -0.03 -0.94 0.23 0.00 0.00 176.35 175.97 2j03 s SER 106 N 0.07 4.84 0.00 2.29 1.04 -1.11 -4.65 113.70 116.18 2j03 s SER 106 Ca 0.16 -0.20 0.00 0.00 0.48 0.00 0.00 55.95 56.39 2j03 s SER 106 Cb -0.24 -1.12 0.00 0.00 0.10 0.00 0.00 66.02 64.76 2j03 s SER 106 CO -0.02 0.20 0.00 -0.90 0.98 0.00 0.00 173.24 173.51 2j03 n ASP 107 N 0.84 0.00 0.14 7.02 5.75 -1.26 -4.90 116.55 124.14 2j03 n ASP 107 Ca -0.12 0.00 0.10 0.00 -0.01 0.00 0.00 54.79 54.76 2j03 n ASP 107 Cb 0.52 0.00 0.06 0.00 -1.03 0.00 0.00 41.12 40.67 2j03 n ASP 107 CO 0.00 0.00 0.00 0.08 -0.11 0.00 0.00 177.20 177.17 2j03 h ARG 108 N 0.00 0.00 -0.71 0.11 0.11 -2.00 -3.24 114.38 108.65 2j03 h ARG 108 Ca 0.00 0.00 0.02 0.00 0.10 0.00 0.00 59.98 60.10 2j03 h ARG 108 Cb 0.00 0.00 -0.04 0.00 1.11 0.00 0.00 29.97 31.04 2j03 h ARG 108 CO 0.00 0.06 0.47 0.93 0.10 0.00 0.00 179.97 181.53 2j03 h GLU 109 N 0.00 0.89 -0.61 0.08 5.08 -1.93 -1.24 114.58 116.85 2j03 h GLU 109 Ca -0.01 -0.05 0.11 0.00 -1.00 0.00 0.00 59.36 58.40 2j03 h GLU 109 Cb 1.08 -0.20 -0.08 0.00 0.50 0.00 0.00 28.75 30.05 2j03 h GLU 109 CO 0.01 0.59 0.18 0.82 -1.00 0.00 0.00 179.01 179.61 2j03 h ILE 110 N 0.92 0.70 -0.03 3.13 2.04 -1.85 0.15 117.51 122.57 2j03 h ILE 110 Ca 0.27 -0.12 0.00 0.00 1.00 0.00 0.00 64.86 66.01 2j03 h ILE 110 Cb -0.05 0.34 0.00 0.00 -0.74 0.00 0.00 36.82 36.37 2j03 h ILE 110 CO -0.07 0.06 0.00 -2.11 0.00 0.00 0.00 178.15 176.04 2j03 n ARG 111 N -5.06 1.13 -0.05 2.37 1.85 -0.49 0.40 116.66 116.81 2j03 n ARG 111 Ca 0.09 -0.20 0.01 0.00 -1.00 0.00 0.00 57.85 56.75 2j03 n ARG 111 Cb 0.31 -1.28 -0.15 0.00 -1.05 0.00 0.00 32.46 30.29 2j03 n ARG 111 CO 0.00 0.00 0.00 2.89 -0.01 0.00 0.00 177.63 180.51 2j03 n ARG 112 N -0.56 0.82 0.04 2.89 -4.01 0.30 -4.20 116.66 111.95 2j03 n ARG 112 Ca 0.13 -0.10 -0.18 0.00 -1.04 0.00 0.00 57.85 56.67 2j03 n ARG 112 Cb 0.10 -1.46 -0.14 0.00 -3.04 0.00 0.00 32.46 27.92 2j03 n ARG 112 CO 0.00 0.00 0.00 0.87 -3.04 0.00 0.00 177.63 175.46 2j03 h LYS 113 N 0.00 0.25 -2.89 2.89 1.57 -0.41 -3.39 116.57 114.58 2j03 h LYS 113 Ca -0.23 -0.42 -0.76 0.00 -1.87 0.00 0.00 60.65 57.36 2j03 h LYS 113 Cb 1.47 0.16 -0.31 0.00 0.08 0.00 0.00 32.23 33.62 2j03 h LYS 113 CO 0.01 1.09 0.41 1.28 -0.57 0.00 0.00 179.45 181.67 2j03 n LEU 114 N -3.43 5.62 0.00 2.94 4.77 0.16 -4.68 117.00 122.38 2j03 n LEU 114 Ca -0.21 -5.23 0.00 0.00 -0.03 0.00 0.00 56.01 50.54 2j03 n LEU 114 Cb 1.05 -1.17 0.00 0.00 -2.33 0.00 0.00 43.42 40.97 2j03 n LEU 114 CO 0.48 1.71 0.00 0.54 -1.33 0.00 0.00 177.39 178.80 2j03 n ARG 115 N 1.48 0.00 -3.63 3.23 5.12 -1.26 -3.89 116.66 117.71 2j03 n ARG 115 Ca 0.26 0.00 -0.04 0.00 -1.93 0.00 0.00 57.85 56.14 2j03 n ARG 115 Cb 0.36 0.00 -0.06 0.00 -1.16 0.00 0.00 32.46 31.59 2j03 n ARG 115 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2j03 s ALA 116 N -2.83 -2.14 -1.06 7.54 0.00 -1.26 -3.21 121.76 118.81 2j03 s ALA 116 Ca 0.00 2.29 -0.21 0.00 0.00 0.00 0.00 51.96 54.04 2j03 s ALA 116 Cb 0.00 -1.62 0.07 0.00 0.00 0.00 0.00 23.12 21.57 2j03 s ALA 116 CO 0.00 -0.42 1.44 0.34 0.00 0.00 0.00 175.76 177.12 2j03 s ASP 117 N 1.58 6.61 0.11 0.00 -1.08 -1.24 -4.79 116.67 117.85 2j03 s ASP 117 Ca -0.09 -1.81 -0.33 0.00 -0.52 0.00 0.00 52.55 49.81 2j03 s ASP 117 Cb -0.05 -2.53 -0.12 0.00 -1.46 0.00 0.00 42.92 38.77 2j03 s ASP 117 CO -0.17 -1.33 1.57 0.03 0.52 0.00 0.00 175.17 175.79 2j03 h ARG 118 N 9.12 -0.67 -0.41 4.34 3.08 -1.98 0.26 114.38 128.11 2j03 h ARG 118 Ca 0.24 0.05 0.07 0.00 0.07 0.00 0.00 59.98 60.41 2j03 h ARG 118 Cb 0.98 0.15 -0.07 0.00 0.08 0.00 0.00 29.97 31.11 2j03 h ARG 118 CO 1.36 -0.45 -0.12 1.17 -1.07 0.00 0.00 179.97 180.86 2j03 n LYS 119 N -5.48 -0.06 0.08 0.04 4.81 -1.26 0.28 118.16 116.58 2j03 n LYS 119 Ca -0.08 0.63 0.09 0.00 -0.87 0.00 0.00 58.31 58.09 2j03 n LYS 119 Cb 0.40 -0.94 -0.03 0.00 0.02 0.00 0.00 35.03 34.48 2j03 n LYS 119 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 2j03 n ARG 120 N -4.64 0.61 0.07 1.64 1.74 -0.88 -3.24 116.66 111.96 2j03 n ARG 120 Ca 0.06 0.13 -0.13 0.00 -0.77 0.00 0.00 57.85 57.13 2j03 n ARG 120 Cb 0.19 -1.81 -0.08 0.00 -1.02 0.00 0.00 32.46 29.75 2j03 n ARG 120 CO 0.00 0.00 0.00 0.97 -1.52 0.00 0.00 177.63 177.08 2j03 h ILE 121 N 0.00 0.97 0.14 0.55 -0.00 0.76 -3.27 117.51 116.66 2j03 h ILE 121 Ca -0.03 -0.18 -0.01 0.00 -0.00 0.00 0.00 64.86 64.63 2j03 h ILE 121 Cb 1.12 1.09 0.00 0.00 -0.00 0.00 0.00 36.82 39.03 2j03 h ILE 121 CO 0.01 0.05 -0.07 0.44 -0.00 0.00 0.00 178.15 178.58 2j03 h ASP 122 N -0.19 -0.16 0.00 2.19 3.32 -1.05 -3.09 116.42 117.44 2j03 h ASP 122 Ca -0.01 -0.21 0.00 0.00 0.02 0.00 0.00 57.03 56.83 2j03 h ASP 122 Cb 0.16 0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.75 2j03 h ASP 122 CO 0.02 0.13 0.35 0.00 -1.72 0.00 0.00 179.24 178.02 2j03 n GLN 123 N -5.05 0.07 -0.06 3.56 10.64 -1.20 0.12 117.38 125.46 2j03 n GLN 123 Ca -0.09 0.53 -0.15 0.00 -1.83 0.00 0.00 57.00 55.46 2j03 n GLN 123 Cb 0.19 -2.09 -0.14 0.00 -0.86 0.00 0.00 30.24 27.35 2j03 n GLN 123 CO 0.00 0.00 0.00 -0.25 -1.83 0.00 0.00 177.06 174.98 2j03 n ASP 124 N -1.95 1.39 0.18 2.61 9.92 -1.18 -3.15 116.55 124.37 2j03 n ASP 124 Ca -0.01 0.11 0.05 0.00 -0.53 0.00 0.00 54.79 54.41 2j03 n ASP 124 Cb 0.37 -0.19 0.33 0.00 -0.64 0.00 0.00 41.12 40.98 2j03 n ASP 124 CO 0.00 0.00 0.00 0.03 0.13 0.00 0.00 177.20 177.36 2j03 h ARG 125 N 0.02 0.00 -0.10 -1.24 2.47 0.96 -0.67 114.38 115.83 2j03 h ARG 125 Ca -0.46 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.26 2j03 h ARG 125 Cb 2.04 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 30.36 2j03 h ARG 125 CO 0.02 0.40 0.00 0.00 0.56 0.00 0.00 179.97 180.95 2j03 n ALA 126 N -2.32 2.56 -0.63 0.04 0.00 0.23 -3.51 120.51 116.88 2j03 n ALA 126 Ca -0.00 -0.42 -0.18 0.00 0.00 0.00 0.00 53.44 52.84 2j03 n ALA 126 Cb 0.51 -1.17 0.09 0.00 0.00 0.00 0.00 19.45 18.89 2j03 n ALA 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2j03 n ALA 127 N 0.01 4.83 1.20 0.00 0.00 -0.26 -4.42 120.51 121.87 2j03 n ALA 127 Ca 0.17 -1.98 0.01 0.00 0.00 0.00 0.00 53.44 51.63 2j03 n ALA 127 Cb 0.27 -1.36 0.03 0.00 0.00 0.00 0.00 19.45 18.39 2j03 n ALA 127 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 2j03 n GLU 128 N -0.39 1.22 -1.36 0.00 -0.00 -1.23 -4.74 120.64 114.14 2j03 n GLU 128 Ca 0.39 -0.21 -0.30 0.00 -0.00 0.00 0.00 57.16 57.05 2j03 n GLU 128 Cb 1.04 -1.38 -0.10 0.00 -0.00 0.00 0.00 31.44 31.00 2j03 n GLU 128 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.13 175.00 2j03 n ARG 129 N -0.09 0.65 -2.93 3.44 3.00 -1.26 -4.37 116.66 115.10 2j03 n ARG 129 Ca 0.02 -1.74 -0.18 0.00 -0.00 0.00 0.00 57.85 55.95 2j03 n ARG 129 Cb 0.22 -3.38 -0.01 0.00 0.00 0.00 0.00 32.46 29.29 2j03 n ARG 129 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2j03 n ALA 130 N 14.03 3.15 -1.77 5.13 0.00 -1.26 -5.11 120.51 134.68 2j03 n ALA 130 Ca 0.45 -3.65 -0.38 0.00 0.00 0.00 0.00 53.44 49.86 2j03 n ALA 130 Cb 0.45 -0.86 -0.02 0.00 0.00 0.00 0.00 19.45 19.02 2j03 n ALA 130 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2j03 s ALA 131 N -2.91 3.17 -0.24 0.00 0.00 -1.26 -4.98 121.76 115.55 2j03 s ALA 131 Ca 0.39 1.01 0.14 0.00 0.00 0.00 0.00 51.96 53.49 2j03 s ALA 131 Cb 0.37 -3.40 0.61 0.00 0.00 0.00 0.00 23.12 20.71 2j03 s ALA 131 CO -0.07 -0.57 1.56 1.63 0.00 0.00 0.00 175.76 178.31 2j03 n LYS 132 N 0.08 3.20 0.00 0.00 5.02 -1.26 -4.68 118.16 120.52 2j03 n LYS 132 Ca 0.04 -2.99 0.00 0.00 -2.02 0.00 0.00 58.31 53.34 2j03 n LYS 132 Cb 0.46 -1.98 0.00 0.00 -0.02 0.00 0.00 35.03 33.49 2j03 n LYS 132 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 2j03 n GLU 133 N -0.38 0.68 -3.06 1.97 2.13 -1.26 -4.75 120.64 115.96 2j03 n GLU 133 Ca 0.28 0.00 -0.24 0.00 0.66 0.00 0.00 57.16 57.86 2j03 n GLU 133 Cb 1.07 -1.17 0.00 0.00 0.27 0.00 0.00 31.44 31.61 2j03 n GLU 133 CO 0.00 0.00 0.00 -2.00 -0.41 0.00 0.00 177.13 174.72 2j03 s GLU 134 N 0.28 3.28 0.00 5.31 2.56 -1.26 -3.83 118.70 125.04 2j03 s GLU 134 Ca 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 54.97 54.65 2j03 s GLU 134 Cb 0.00 -2.56 0.00 0.00 2.00 0.00 0.00 34.13 33.57 2j03 s GLU 134 CO 0.00 -0.12 0.00 0.00 -0.56 0.00 0.00 175.26 174.58 2j03 n ALA 135 N -2.01 0.00 -0.23 6.30 0.00 -1.26 -4.64 120.51 118.67 2j03 n ALA 135 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 2j03 n ALA 135 Cb 0.57 -0.75 0.00 0.00 0.00 0.00 0.00 19.45 19.26 2j03 n ALA 135 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 2j03 n GLN 136 N -1.28 0.79 -2.85 0.00 -0.06 -1.25 -4.83 117.38 107.90 2j03 n GLN 136 Ca 0.00 -0.25 -0.11 0.00 -2.00 0.00 0.00 57.00 54.64 2j03 n GLN 136 Cb 0.16 -0.71 0.06 0.00 -4.06 0.00 0.00 30.24 25.69 2j03 n GLN 136 CO 0.00 0.00 0.00 1.63 -0.20 0.00 0.00 177.06 178.49 2j03 n LYS 137 N -0.18 1.02 0.00 3.69 5.02 -1.25 -5.14 118.16 121.31 2j03 n LYS 137 Ca 0.00 -2.33 0.00 0.00 -2.02 0.00 0.00 58.31 53.96 2j03 n LYS 137 Cb 0.06 -1.17 0.00 0.00 -0.02 0.00 0.00 35.03 33.90 2j03 n LYS 137 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88