#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jjs s LEU 3 N 0.00 3.28 0.09 2.23 1.43 -1.26 -4.27 118.68 120.18 2jjs s LEU 3 Ca 0.00 -0.27 0.10 0.00 -1.03 0.00 0.00 54.13 52.93 2jjs s LEU 3 Cb 0.00 -2.04 -0.03 0.00 0.03 0.00 0.00 46.19 44.15 2jjs s LEU 3 CO 0.00 0.18 -0.26 -0.36 0.23 0.00 0.00 176.35 176.13 2jjs s PHE 4 N -1.27 2.32 -0.68 0.29 0.08 -1.26 -0.43 117.98 117.03 2jjs s PHE 4 Ca 0.24 -0.39 -0.21 0.00 0.12 0.00 0.00 56.93 56.69 2jjs s PHE 4 Cb -0.11 -1.32 0.09 0.00 -0.57 0.00 0.00 43.02 41.10 2jjs s PHE 4 CO 0.16 0.24 0.92 1.21 -0.10 0.00 0.00 175.22 177.66 2jjs s ASN 5 N -1.68 6.25 0.46 1.36 3.84 -0.22 -4.87 114.94 120.09 2jjs s ASN 5 Ca 0.13 -1.27 -0.20 0.00 0.21 0.00 0.00 52.86 51.73 2jjs s ASN 5 Cb -0.10 -2.38 -0.10 0.00 -0.55 0.00 0.00 41.25 38.12 2jjs s ASN 5 CO 0.04 -1.30 0.99 -0.54 -2.79 0.00 0.00 177.10 173.50 2jjs s LYS 6 N 3.49 4.02 -0.05 0.43 1.02 -1.26 -4.48 119.74 122.91 2jjs s LYS 6 Ca 0.21 1.20 0.00 0.00 0.02 0.00 0.00 55.97 57.40 2jjs s LYS 6 Cb -0.17 -2.14 0.02 0.00 -0.52 0.00 0.00 37.83 35.02 2jjs s LYS 6 CO 0.06 -0.22 -0.03 0.99 -0.92 0.00 0.00 175.35 175.24 2jjs s THR 7 N -2.15 0.43 0.06 2.17 2.01 -1.26 -5.06 115.64 111.84 2jjs s THR 7 Ca 0.64 -0.02 -0.21 0.00 0.31 0.00 0.00 61.69 62.40 2jjs s THR 7 Cb -0.12 -0.50 -0.12 0.00 0.01 0.00 0.00 72.50 71.77 2jjs s THR 7 CO 0.18 0.22 1.50 0.50 -0.69 0.00 0.00 174.62 176.33 2jjs h LYS 8 N 7.48 0.28 -2.66 4.92 3.64 -1.96 -3.40 116.57 124.87 2jjs h LYS 8 Ca -0.34 -0.09 0.01 0.00 -1.27 0.00 0.00 60.65 58.96 2jjs h LYS 8 Cb 1.14 -0.03 -0.14 0.00 -0.41 0.00 0.00 32.23 32.80 2jjs h LYS 8 CO 0.42 0.49 0.30 -1.54 -2.27 0.00 0.00 179.45 176.85 2jjs s SER 9 N -5.77 -0.52 0.08 4.20 1.04 -1.26 -1.75 113.70 109.72 2jjs s SER 9 Ca -0.14 0.09 0.05 0.00 0.48 0.00 0.00 55.95 56.42 2jjs s SER 9 Cb 0.06 0.53 -0.03 0.00 0.10 0.00 0.00 66.02 66.67 2jjs s SER 9 CO 0.72 -0.82 -0.13 0.68 0.98 0.00 0.00 173.24 174.67 2jjs s VAL 10 N -3.23 1.09 0.07 5.02 -7.23 -0.31 -4.91 120.40 110.89 2jjs s VAL 10 Ca 0.01 -1.44 0.07 0.00 -1.81 0.00 0.00 61.98 58.82 2jjs s VAL 10 Cb -0.01 -1.19 -0.03 0.00 0.56 0.00 0.00 36.38 35.72 2jjs s VAL 10 CO -0.09 -0.34 -0.20 -0.70 -0.31 0.00 0.00 175.10 173.47 2jjs s GLU 11 N -2.11 1.19 0.09 4.82 2.12 -1.26 -1.06 118.70 122.49 2jjs s GLU 11 Ca 0.01 -1.03 -0.00 0.00 0.36 0.00 0.00 54.97 54.31 2jjs s GLU 11 Cb -0.08 -1.36 -0.04 0.00 0.26 0.00 0.00 34.13 32.91 2jjs s GLU 11 CO 0.02 0.33 -0.01 -0.59 -0.54 0.00 0.00 175.26 174.47 2jjs s PHE 12 N -1.00 0.73 0.29 5.30 -0.12 -0.67 -4.97 117.98 117.54 2jjs s PHE 12 Ca 0.06 -1.09 0.01 0.00 -0.05 0.00 0.00 56.93 55.86 2jjs s PHE 12 Cb -0.09 -0.46 -0.00 0.00 -0.63 0.00 0.00 43.02 41.83 2jjs s PHE 12 CO 0.03 -0.37 0.04 0.25 -0.05 0.00 0.00 175.22 175.12 2jjs n THR 13 N -0.00 0.00 0.16 -4.49 -2.24 -1.26 -1.02 114.28 105.42 2jjs n THR 13 Ca -0.11 -1.50 0.19 0.00 -2.27 0.00 0.00 64.05 60.36 2jjs n THR 13 Cb 0.62 0.41 0.74 0.00 -2.10 0.00 0.00 70.33 70.00 2jjs n THR 13 CO 0.00 0.00 0.00 2.19 -0.57 0.00 0.00 175.07 176.69 2jjs h PHE 14 N 1.29 0.00 0.00 4.78 -5.15 -1.97 -2.32 116.94 113.57 2jjs h PHE 14 Ca -0.23 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.54 2jjs h PHE 14 Cb 0.78 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.95 2jjs h PHE 14 CO 0.00 0.00 0.00 0.78 -2.00 0.00 0.00 178.31 177.09 2jjs h GLY 15 N 0.00 0.00 -5.41 6.09 0.00 -1.96 -3.44 103.07 98.35 2jjs h GLY 15 Ca 0.15 0.00 -0.58 0.00 0.00 0.00 0.00 47.33 46.89 2jjs h GLY 15 CO -0.00 0.00 0.57 -1.31 0.00 0.00 0.00 176.54 175.80 2jjs s ASN 16 N -5.75 6.97 0.19 0.19 -0.87 -0.87 -4.93 114.94 109.86 2jjs s ASN 16 Ca 0.02 1.20 0.02 0.00 -1.57 0.00 0.00 52.86 52.54 2jjs s ASN 16 Cb 0.08 -2.48 0.09 0.00 -0.02 0.00 0.00 41.25 38.92 2jjs s ASN 16 CO 0.56 -0.54 1.45 0.44 -2.57 0.00 0.00 177.10 176.43 2jjs h ASP 17 N 7.51 0.30 -5.22 -1.22 3.32 -1.89 -3.43 116.42 115.79 2jjs h ASP 17 Ca -0.23 -0.21 -0.26 0.00 0.02 0.00 0.00 57.03 56.34 2jjs h ASP 17 Cb 1.09 -0.09 -0.15 0.00 0.22 0.00 0.00 39.33 40.40 2jjs h ASP 17 CO 0.90 0.95 -0.63 0.42 -1.72 0.00 0.00 179.24 179.17 2jjs s THR 18 N -3.46 0.20 0.13 0.35 -4.23 -1.26 -2.03 115.64 105.34 2jjs s THR 18 Ca -0.04 -1.99 0.07 0.00 -1.18 0.00 0.00 61.69 58.55 2jjs s THR 18 Cb 0.11 -2.44 -0.04 0.00 1.34 0.00 0.00 72.50 71.47 2jjs s THR 18 CO 0.82 -0.10 -0.15 0.68 -0.54 0.00 0.00 174.62 175.33 2jjs s VAL 19 N -4.01 1.46 -0.08 2.29 -7.23 0.34 -4.84 120.40 108.32 2jjs s VAL 19 Ca 0.36 -1.77 0.04 0.00 -1.81 0.00 0.00 61.98 58.80 2jjs s VAL 19 Cb 0.07 -1.61 0.00 0.00 0.56 0.00 0.00 36.38 35.40 2jjs s VAL 19 CO 0.10 -0.39 -0.20 -0.69 -0.31 0.00 0.00 175.10 173.62 2jjs s VAL 20 N -2.11 1.73 -0.33 1.32 1.01 -1.26 -2.03 120.40 118.74 2jjs s VAL 20 Ca 0.11 -0.83 -0.07 0.00 0.00 0.00 0.00 61.98 61.18 2jjs s VAL 20 Cb -0.05 -1.51 0.03 0.00 0.00 0.00 0.00 36.38 34.85 2jjs s VAL 20 CO 0.04 0.49 0.11 -0.63 0.00 0.00 0.00 175.10 175.10 2jjs s ILE 21 N 0.40 3.93 0.41 2.22 1.01 0.44 -4.98 121.20 124.64 2jjs s ILE 21 Ca -0.16 -0.95 -0.25 0.00 0.00 0.00 0.00 60.65 59.29 2jjs s ILE 21 Cb -0.17 -3.16 -0.08 0.00 0.01 0.00 0.00 42.46 39.07 2jjs s ILE 21 CO 0.07 -0.10 1.16 -2.16 0.00 0.00 0.00 174.94 173.91 2jjs s PRO 22 N 1.45 4.00 -0.21 2.79 0.04 -1.26 -1.14 135.00 140.67 2jjs s PRO 22 Ca 0.00 1.80 -0.04 0.00 0.04 0.00 0.00 61.00 62.80 2jjs s PRO 22 Cb -0.19 -2.61 0.11 0.00 0.04 0.00 0.00 34.50 31.85 2jjs s PRO 22 CO 0.03 -0.36 0.35 0.00 0.04 0.00 0.00 177.00 177.07 2jjs s PHE 24 N 2.52 1.58 -0.03 0.00 0.08 -1.26 -0.75 117.98 120.12 2jjs s PHE 24 Ca 0.06 -1.01 -0.24 0.00 0.12 0.00 0.00 56.93 55.86 2jjs s PHE 24 Cb -0.14 -1.26 -0.04 0.00 -0.57 0.00 0.00 43.02 41.01 2jjs s PHE 24 CO -0.13 -0.60 0.75 0.08 -0.10 0.00 0.00 175.22 175.21 2jjs s VAL 25 N 1.67 4.94 -0.82 -0.44 1.01 0.14 -1.05 120.40 125.85 2jjs s VAL 25 Ca 0.01 1.56 0.22 0.00 0.00 0.00 0.00 61.98 63.77 2jjs s VAL 25 Cb -0.15 -4.09 -0.17 0.00 0.00 0.00 0.00 36.38 31.97 2jjs s VAL 25 CO -0.08 0.28 0.99 0.35 0.00 0.00 0.00 175.10 176.64 2jjs n THR 26 N 3.51 0.04 -2.00 3.92 -2.24 0.43 -4.34 114.28 113.60 2jjs n THR 26 Ca -0.01 -0.10 -0.03 0.00 -2.27 0.00 0.00 64.05 61.64 2jjs n THR 26 Cb 0.51 0.57 0.11 0.00 -2.10 0.00 0.00 70.33 69.42 2jjs n THR 26 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 2jjs n ASN 27 N -1.68 2.44 -4.75 3.42 6.94 -1.26 -5.03 115.26 115.34 2jjs n ASN 27 Ca 0.03 -3.34 -0.41 0.00 -0.02 0.00 0.00 54.58 50.84 2jjs n ASN 27 Cb 0.38 -0.43 -0.02 0.00 -2.36 0.00 0.00 39.78 37.35 2jjs n ASN 27 CO 0.00 0.00 0.00 -0.32 -1.03 0.00 0.00 177.26 175.91 2jjs s MET 28 N -2.83 4.22 -0.04 -3.83 1.75 -1.26 -4.94 119.30 112.37 2jjs s MET 28 Ca 0.40 2.39 0.10 0.00 -1.25 0.00 0.00 55.69 57.33 2jjs s MET 28 Cb 0.38 -3.07 0.18 0.00 2.84 0.00 0.00 34.83 35.17 2jjs s MET 28 CO -0.05 -0.45 1.08 0.39 -0.65 0.00 0.00 175.02 175.34 2jjs n GLU 29 N 1.86 0.38 -2.20 4.11 1.02 -1.26 -4.96 120.64 119.60 2jjs n GLU 29 Ca 0.05 -1.72 -0.41 0.00 -0.02 0.00 0.00 57.16 55.07 2jjs n GLU 29 Cb 0.40 -0.68 -0.03 0.00 -0.02 0.00 0.00 31.44 31.10 2jjs n GLU 29 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2jjs s ALA 30 N -0.84 3.53 -0.17 0.62 0.00 -1.26 -4.95 121.76 118.70 2jjs s ALA 30 Ca 0.17 1.13 0.20 0.00 0.00 0.00 0.00 51.96 53.45 2jjs s ALA 30 Cb 0.17 -3.48 -0.10 0.00 0.00 0.00 0.00 23.12 19.70 2jjs s ALA 30 CO -0.04 -0.55 0.85 0.00 0.00 0.00 0.00 175.76 176.03 2jjs n GLN 31 N 2.50 0.62 -3.70 0.00 10.64 -1.26 -4.90 117.38 121.27 2jjs n GLN 31 Ca 0.06 0.12 -0.14 0.00 -1.83 0.00 0.00 57.00 55.20 2jjs n GLN 31 Cb 0.43 -1.77 -0.08 0.00 -0.86 0.00 0.00 30.24 27.95 2jjs n GLN 31 CO 0.00 0.00 0.00 1.21 -1.83 0.00 0.00 177.06 176.44 2jjs s ASN 32 N -5.43 -0.32 0.25 2.61 3.84 -1.26 -5.05 114.94 109.58 2jjs s ASN 32 Ca -0.03 0.29 0.22 0.00 0.21 0.00 0.00 52.86 53.55 2jjs s ASN 32 Cb 0.10 0.41 0.97 0.00 -0.55 0.00 0.00 41.25 42.17 2jjs s ASN 32 CO 0.81 -0.46 1.66 0.35 -2.79 0.00 0.00 177.10 176.67 2jjs n THR 33 N 1.30 0.93 0.28 -5.21 -2.24 -1.26 -2.16 114.28 105.91 2jjs n THR 33 Ca -0.20 0.37 0.16 0.00 -2.27 0.00 0.00 64.05 62.10 2jjs n THR 33 Cb 0.56 -1.31 0.90 0.00 -2.10 0.00 0.00 70.33 68.39 2jjs n THR 33 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 2jjs h THR 34 N 0.00 0.50 -0.00 4.28 1.35 -1.95 -1.95 112.91 115.14 2jjs h THR 34 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 2jjs h THR 34 Cb 0.25 0.96 0.00 0.00 -1.73 0.00 0.00 68.15 67.63 2jjs h THR 34 CO 0.00 0.00 -0.05 -0.62 -0.25 0.00 0.00 175.52 174.60 2jjs n GLU 35 N -3.82 0.58 -4.81 4.72 1.02 -0.92 -3.22 120.64 114.20 2jjs n GLU 35 Ca -0.02 -0.09 -0.31 0.00 -0.02 0.00 0.00 57.16 56.72 2jjs n GLU 35 Cb 0.14 -1.50 -0.14 0.00 -0.02 0.00 0.00 31.44 29.93 2jjs n GLU 35 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2jjs s VAL 36 N -2.49 2.55 0.00 2.62 1.01 -0.73 -1.01 120.40 122.35 2jjs s VAL 36 Ca 0.30 -1.21 0.04 0.00 0.00 0.00 0.00 61.98 61.11 2jjs s VAL 36 Cb 0.20 -2.03 -0.01 0.00 0.00 0.00 0.00 36.38 34.54 2jjs s VAL 36 CO 0.46 0.39 -0.13 -0.47 0.00 0.00 0.00 175.10 175.35 2jjs s TYR 37 N -0.85 1.13 -0.02 5.22 5.04 -0.46 -1.72 117.35 125.69 2jjs s TYR 37 Ca 0.13 -0.25 0.03 0.00 -2.44 0.00 0.00 57.07 54.55 2jjs s TYR 37 Cb -0.10 -0.71 -0.00 0.00 0.35 0.00 0.00 41.96 41.49 2jjs s TYR 37 CO 0.03 -0.01 -0.11 0.08 -1.34 0.00 0.00 175.55 174.20 2jjs s VAL 38 N -0.44 0.95 -0.04 3.14 1.01 -0.46 -1.33 120.40 123.23 2jjs s VAL 38 Ca 0.04 -0.47 0.02 0.00 0.00 0.00 0.00 61.98 61.57 2jjs s VAL 38 Cb -0.06 -0.82 0.01 0.00 0.00 0.00 0.00 36.38 35.51 2jjs s VAL 38 CO -0.00 0.28 -0.11 -0.54 0.00 0.00 0.00 175.10 174.74 2jjs s LYS 39 N 0.03 1.31 -0.16 2.72 1.02 -0.16 -1.10 119.74 123.40 2jjs s LYS 39 Ca -0.01 -0.35 -0.04 0.00 0.02 0.00 0.00 55.97 55.59 2jjs s LYS 39 Cb -0.08 -1.15 -0.03 0.00 -0.52 0.00 0.00 37.83 36.05 2jjs s LYS 39 CO 0.00 0.07 -0.04 -1.58 -0.92 0.00 0.00 175.35 172.89 2jjs s TRP 40 N 0.44 3.00 0.05 3.18 0.52 0.09 -0.32 118.94 125.91 2jjs s TRP 40 Ca -0.08 -0.37 0.09 0.00 0.02 0.00 0.00 56.10 55.76 2jjs s TRP 40 Cb -0.12 -1.97 -0.03 0.00 -1.15 0.00 0.00 33.47 30.20 2jjs s TRP 40 CO 0.02 -0.10 -0.26 0.15 0.02 0.00 0.00 176.95 176.78 2jjs s LYS 41 N 0.48 1.75 -0.06 4.98 1.02 -0.09 -0.59 119.74 127.22 2jjs s LYS 41 Ca -0.04 -1.12 -0.03 0.00 0.02 0.00 0.00 55.97 54.80 2jjs s LYS 41 Cb -0.14 -1.95 0.04 0.00 -0.52 0.00 0.00 37.83 35.25 2jjs s LYS 41 CO 0.03 0.50 0.13 0.12 -0.92 0.00 0.00 175.35 175.21 2jjs s PHE 42 N -0.83 -0.13 -1.61 3.18 5.36 -0.44 -1.22 117.98 122.31 2jjs s PHE 42 Ca 0.12 0.47 -0.11 0.00 -0.96 0.00 0.00 56.93 56.45 2jjs s PHE 42 Cb -0.10 -0.20 0.09 0.00 -0.34 0.00 0.00 43.02 42.47 2jjs s PHE 42 CO 0.02 -0.20 0.54 1.63 -1.46 0.00 0.00 175.22 175.76 2jjs n LYS 43 N 4.71 -2.66 -0.97 10.12 5.02 -1.26 -1.26 118.16 131.86 2jjs n LYS 43 Ca -0.17 0.32 0.00 0.00 -2.02 0.00 0.00 58.31 56.44 2jjs n LYS 43 Cb 0.51 -4.67 0.00 0.00 -0.02 0.00 0.00 35.03 30.85 2jjs n LYS 43 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2jjs n GLY 44 N -1.72 0.53 3.63 0.72 0.00 -1.26 -5.03 105.19 102.06 2jjs n GLY 44 Ca -0.10 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.60 2jjs n GLY 44 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2jjs s ARG 45 N -0.33 2.63 -0.64 1.61 0.52 -0.39 -5.07 118.95 117.29 2jjs s ARG 45 Ca 0.00 -0.68 -0.27 0.00 -0.52 0.00 0.00 55.73 54.25 2jjs s ARG 45 Cb 0.00 -2.56 0.02 0.00 0.52 0.00 0.00 34.95 32.93 2jjs s ARG 45 CO 0.00 0.61 1.35 -0.51 0.02 0.00 0.00 175.30 176.77 2jjs s ASP 46 N -1.48 6.14 0.00 0.23 1.01 -1.26 -1.32 116.67 119.99 2jjs s ASP 46 Ca 0.18 -0.03 0.24 0.00 0.71 0.00 0.00 52.55 53.65 2jjs s ASP 46 Cb -0.11 -2.55 0.32 0.00 1.01 0.00 0.00 42.92 41.58 2jjs s ASP 46 CO 0.09 -1.77 1.28 2.30 0.21 0.00 0.00 175.17 177.28 2jjs n ILE 47 N 6.66 0.01 -3.68 0.77 -6.64 0.24 -4.68 119.36 112.03 2jjs n ILE 47 Ca 0.09 -0.01 -0.10 0.00 -1.77 0.00 0.00 62.75 60.96 2jjs n ILE 47 Cb 0.49 0.43 -0.10 0.00 -1.44 0.00 0.00 39.64 39.02 2jjs n ILE 47 CO 0.00 0.00 0.00 -0.47 -1.77 0.00 0.00 176.55 174.31 2jjs s TYR 48 N -3.01 -0.70 0.03 4.28 5.04 -1.09 -4.24 117.35 117.66 2jjs s TYR 48 Ca 0.10 1.50 0.04 0.00 -2.44 0.00 0.00 57.07 56.27 2jjs s TYR 48 Cb 0.17 0.34 -0.02 0.00 0.35 0.00 0.00 41.96 42.80 2jjs s TYR 48 CO 0.74 -0.37 -0.13 0.95 -1.34 0.00 0.00 175.55 175.40 2jjs s THR 49 N 1.28 0.99 -0.17 4.34 -4.23 -0.35 -0.73 115.64 116.77 2jjs s THR 49 Ca -0.08 -0.93 0.01 0.00 -1.18 0.00 0.00 61.69 59.50 2jjs s THR 49 Cb -0.07 -0.91 0.03 0.00 1.34 0.00 0.00 72.50 72.89 2jjs s THR 49 CO -0.12 -0.02 -0.13 0.12 -0.54 0.00 0.00 174.62 173.93 2jjs s PHE 50 N -0.83 2.32 -0.50 3.99 5.36 -0.26 -1.23 117.98 126.83 2jjs s PHE 50 Ca 0.00 -1.42 -0.14 0.00 -0.96 0.00 0.00 56.93 54.41 2jjs s PHE 50 Cb -0.08 -1.63 0.11 0.00 -0.34 0.00 0.00 43.02 41.08 2jjs s PHE 50 CO 0.01 -0.71 0.42 0.34 -1.46 0.00 0.00 175.22 173.82 2jjs s ASP 51 N 1.43 6.05 0.32 6.13 -1.08 -0.25 -1.36 116.67 127.91 2jjs s ASP 51 Ca 0.02 -1.66 0.01 0.00 -0.52 0.00 0.00 52.55 50.40 2jjs s ASP 51 Cb -0.14 -2.15 0.53 0.00 -1.46 0.00 0.00 42.92 39.70 2jjs s ASP 51 CO -0.10 -0.75 1.92 1.23 0.52 0.00 0.00 175.17 178.00 2jjs h GLY 52 N 8.74 0.87 2.00 2.66 0.00 -1.50 -0.67 103.07 115.17 2jjs h GLY 52 Ca -0.27 -0.41 -0.02 0.00 0.00 0.00 0.00 47.33 46.63 2jjs h GLY 52 CO 0.94 0.39 -0.09 0.00 0.00 0.00 0.00 176.54 177.78 2jjs h ALA 53 N 1.49 1.80 -0.02 3.60 0.00 -1.75 -2.10 119.26 122.28 2jjs h ALA 53 Ca 0.20 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.03 2jjs h ALA 53 Cb 0.09 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.87 2jjs h ALA 53 CO -0.03 0.11 -0.08 1.28 0.00 0.00 0.00 179.25 180.54 2jjs n LEU 54 N -4.35 2.13 -3.95 0.00 4.77 -0.94 -4.99 117.00 109.66 2jjs n LEU 54 Ca -0.03 -0.94 -0.26 0.00 -0.03 0.00 0.00 56.01 54.75 2jjs n LEU 54 Cb 0.17 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.24 2jjs n LEU 54 CO 0.34 0.39 -0.17 -3.20 -1.33 0.00 0.00 177.39 173.42 2jjs n ASN 55 N 0.64 -1.01 -4.01 -1.43 5.15 -0.32 -4.96 115.26 109.32 2jjs n ASN 55 Ca 0.08 -0.97 -0.30 0.00 -0.60 0.00 0.00 54.58 52.79 2jjs n ASN 55 Cb 0.38 -3.19 -0.16 0.00 -0.53 0.00 0.00 39.78 36.28 2jjs n ASN 55 CO 0.00 0.00 0.00 -0.75 1.40 0.00 0.00 177.26 177.91 2jjs s LYS 56 N -6.53 2.21 -0.05 1.20 2.20 -0.84 -5.00 119.74 112.92 2jjs s LYS 56 Ca 0.13 -0.55 -0.06 0.00 -0.36 0.00 0.00 55.97 55.12 2jjs s LYS 56 Cb -0.07 -2.08 -0.04 0.00 -1.51 0.00 0.00 37.83 34.13 2jjs s LYS 56 CO 0.88 -0.25 0.21 -1.12 -0.36 0.00 0.00 175.35 174.71 2jjs s SER 57 N 1.50 6.45 -0.04 1.43 0.01 -1.26 -1.09 113.70 120.70 2jjs s SER 57 Ca 0.05 0.50 -0.00 0.00 1.31 0.00 0.00 55.95 57.81 2jjs s SER 57 Cb -0.13 -2.07 0.03 0.00 0.21 0.00 0.00 66.02 64.05 2jjs s SER 57 CO -0.10 0.32 0.00 -0.89 0.41 0.00 0.00 173.24 172.98 2jjs s THR 58 N -1.19 0.23 0.07 1.44 2.01 -0.37 -4.99 115.64 112.84 2jjs s THR 58 Ca 0.22 0.12 0.05 0.00 0.31 0.00 0.00 61.69 62.40 2jjs s THR 58 Cb -0.13 -0.36 -0.03 0.00 0.01 0.00 0.00 72.50 72.00 2jjs s THR 58 CO 0.12 0.19 -0.14 0.68 -0.69 0.00 0.00 174.62 174.78 2jjs s VAL 59 N 1.43 1.11 0.75 3.82 -7.23 -1.26 -1.21 120.40 117.81 2jjs s VAL 59 Ca -0.04 -1.25 -0.11 0.00 -1.81 0.00 0.00 61.98 58.77 2jjs s VAL 59 Cb -0.13 -1.06 0.04 0.00 0.56 0.00 0.00 36.38 35.79 2jjs s VAL 59 CO -0.03 -0.19 1.08 -2.16 -0.31 0.00 0.00 175.10 173.50 2jjs s PRO 60 N -1.64 2.44 0.57 4.82 0.04 -1.26 -4.95 135.00 135.03 2jjs s PRO 60 Ca -0.01 0.79 0.35 0.00 0.04 0.00 0.00 61.00 62.16 2jjs s PRO 60 Cb -0.10 -1.95 1.63 0.00 0.04 0.00 0.00 34.50 34.13 2jjs s PRO 60 CO 0.02 -1.40 2.09 1.79 0.04 0.00 0.00 177.00 179.54 2jjs h THR 61 N -0.94 0.15 -0.00 1.26 1.35 -1.99 -1.73 112.91 111.01 2jjs h THR 61 Ca -0.46 -0.43 0.00 0.00 -0.55 0.00 0.00 66.41 64.98 2jjs h THR 61 Cb 1.24 1.37 0.00 0.00 -1.73 0.00 0.00 68.15 69.03 2jjs h THR 61 CO 0.58 0.04 -0.13 -0.90 -0.25 0.00 0.00 175.52 174.86 2jjs n ASP 62 N -3.21 0.58 -2.37 5.36 5.75 -1.26 -3.65 116.55 117.75 2jjs n ASP 62 Ca -0.01 -0.65 -0.20 0.00 -0.01 0.00 0.00 54.79 53.92 2jjs n ASP 62 Cb 0.24 -0.04 0.02 0.00 -1.03 0.00 0.00 41.12 40.31 2jjs n ASP 62 CO 0.00 0.00 0.00 0.49 -0.11 0.00 0.00 177.20 177.58 2jjs n PHE 63 N -0.87 2.61 0.30 2.11 3.72 -0.66 -4.88 117.46 119.78 2jjs n PHE 63 Ca 0.14 -2.61 0.17 0.00 -0.05 0.00 0.00 57.45 55.10 2jjs n PHE 63 Cb 0.29 -0.23 0.92 0.00 -0.94 0.00 0.00 39.48 39.52 2jjs n PHE 63 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 2jjs h SER 64 N 2.49 0.00 0.33 4.37 4.64 -1.61 -1.88 113.55 121.89 2jjs h SER 64 Ca 0.22 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.54 2jjs h SER 64 Cb 1.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 2jjs h SER 64 CO 0.69 0.04 -0.40 -1.54 -0.87 0.00 0.00 176.83 174.74 2jjs n SER 65 N -3.44 0.83 -4.74 4.97 3.41 -1.26 -4.96 113.62 108.43 2jjs n SER 65 Ca -0.02 -0.63 -0.41 0.00 -0.26 0.00 0.00 58.87 57.54 2jjs n SER 65 Cb 0.16 0.23 -0.02 0.00 -0.26 0.00 0.00 64.21 64.32 2jjs n SER 65 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2jjs s ALA 66 N -2.74 3.64 0.20 7.33 0.00 -0.71 -4.49 121.76 124.99 2jjs s ALA 66 Ca 0.18 1.33 -0.22 0.00 0.00 0.00 0.00 51.96 53.24 2jjs s ALA 66 Cb 0.18 -3.56 0.05 0.00 0.00 0.00 0.00 23.12 19.79 2jjs s ALA 66 CO 0.62 -0.74 0.63 -1.59 0.00 0.00 0.00 175.76 174.68 2jjs s LYS 67 N -0.23 1.46 0.28 0.00 -2.85 -0.42 -4.95 119.74 113.03 2jjs s LYS 67 Ca 0.60 -0.68 0.08 0.00 -1.00 0.00 0.00 55.97 54.97 2jjs s LYS 67 Cb -0.42 0.59 -0.06 0.00 -2.06 0.00 0.00 37.83 35.88 2jjs s LYS 67 CO 0.42 -0.65 -0.08 0.96 0.10 0.00 0.00 175.35 176.10 2jjs s ILE 68 N -3.82 1.81 -0.63 3.79 -4.36 -1.26 -0.50 121.20 116.23 2jjs s ILE 68 Ca 0.05 -2.17 -0.20 0.00 -0.26 0.00 0.00 60.65 58.07 2jjs s ILE 68 Cb -0.03 -2.42 0.09 0.00 1.25 0.00 0.00 42.46 41.36 2jjs s ILE 68 CO -0.06 -0.33 0.81 -0.70 0.24 0.00 0.00 174.94 174.91 2jjs s GLU 69 N -3.68 3.09 0.45 0.37 2.12 -1.26 -4.92 118.70 114.86 2jjs s GLU 69 Ca 0.29 -1.18 0.12 0.00 0.36 0.00 0.00 54.97 54.56 2jjs s GLU 69 Cb 0.02 -4.27 1.04 0.00 0.26 0.00 0.00 34.13 31.17 2jjs s GLU 69 CO 0.12 -1.64 2.06 0.28 -0.54 0.00 0.00 175.26 175.53 2jjs h VAL 70 N 5.93 1.00 0.00 3.70 2.07 -1.98 -1.29 116.25 125.68 2jjs h VAL 70 Ca -0.28 -0.12 -0.01 0.00 0.82 0.00 0.00 66.70 67.11 2jjs h VAL 70 Cb 1.08 0.62 -0.00 0.00 -1.52 0.00 0.00 31.29 31.46 2jjs h VAL 70 CO 1.13 0.06 -0.05 0.77 0.02 0.00 0.00 177.57 179.50 2jjs h SER 71 N 0.35 0.00 0.67 0.57 4.64 -1.95 -2.57 113.55 115.26 2jjs h SER 71 Ca 0.16 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.48 2jjs h SER 71 Cb 0.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.27 2jjs h SER 71 CO -0.04 0.05 -0.26 0.00 -0.87 0.00 0.00 176.83 175.71 2jjs n GLN 72 N -3.62 0.09 -0.16 4.77 1.13 -0.49 -4.05 117.38 115.06 2jjs n GLN 72 Ca -0.02 -0.04 0.07 0.00 -1.94 0.00 0.00 57.00 55.07 2jjs n GLN 72 Cb 0.16 -1.50 0.38 0.00 0.11 0.00 0.00 30.24 29.39 2jjs n GLN 72 CO 0.00 0.00 0.00 -0.07 -1.44 0.00 0.00 177.06 175.55 2jjs h LEU 73 N 0.09 0.62 -1.71 1.08 3.38 -1.37 -1.75 115.31 115.63 2jjs h LEU 73 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2jjs h LEU 73 Cb 0.49 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.11 2jjs h LEU 73 CO 0.00 0.40 0.00 -0.07 0.09 0.00 0.00 178.44 178.86 2jjs h LEU 74 N 0.70 0.00 -0.64 1.67 3.38 -1.80 -0.11 115.31 118.52 2jjs h LEU 74 Ca 0.30 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.27 2jjs h LEU 74 Cb 0.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.02 2jjs h LEU 74 CO -0.10 0.00 -0.10 0.29 0.09 0.00 0.00 178.44 178.63 2jjs n LYS 75 N -3.07 1.21 -0.29 1.13 5.02 -0.69 -4.70 118.16 116.77 2jjs n LYS 75 Ca -0.00 -0.64 0.00 0.00 -2.02 0.00 0.00 58.31 55.65 2jjs n LYS 75 Cb 0.26 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.79 2jjs n LYS 75 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2jjs n GLY 76 N 1.23 0.74 3.58 0.72 0.00 -0.05 -4.86 105.19 106.56 2jjs n GLY 76 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 2jjs n GLY 76 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2jjs s ASP 77 N -2.53 6.38 -0.13 1.61 -1.08 -1.01 0.26 116.67 120.18 2jjs s ASP 77 Ca 0.00 0.19 0.15 0.00 -0.52 0.00 0.00 52.55 52.36 2jjs s ASP 77 Cb 0.00 -2.29 0.33 0.00 -1.46 0.00 0.00 42.92 39.51 2jjs s ASP 77 CO 0.00 -0.45 1.17 0.00 0.52 0.00 0.00 175.17 176.41 2jjs n ALA 78 N 5.75 2.84 -1.72 3.66 0.00 0.07 -3.06 120.51 128.05 2jjs n ALA 78 Ca -0.04 -2.68 -0.43 0.00 0.00 0.00 0.00 53.44 50.30 2jjs n ALA 78 Cb 0.49 -0.44 -0.02 0.00 0.00 0.00 0.00 19.45 19.48 2jjs n ALA 78 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2jjs n SER 79 N -0.82 3.54 -4.77 0.00 7.64 -1.22 -4.64 113.62 113.36 2jjs n SER 79 Ca 0.14 1.14 -0.39 0.00 1.01 0.00 0.00 58.87 60.77 2jjs n SER 79 Cb 0.75 -1.55 -0.06 0.00 -1.01 0.00 0.00 64.21 62.35 2jjs n SER 79 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 2jjs s LEU 80 N -0.28 4.46 -0.06 -3.43 2.96 -0.29 -4.42 118.68 117.62 2jjs s LEU 80 Ca 0.65 1.30 0.05 0.00 -0.22 0.00 0.00 54.13 55.92 2jjs s LEU 80 Cb -0.54 -3.04 -0.02 0.00 0.50 0.00 0.00 46.19 43.09 2jjs s LEU 80 CO 0.49 0.11 -0.22 -0.54 -1.32 0.00 0.00 176.35 174.87 2jjs s LYS 81 N -0.39 2.54 0.13 1.98 1.02 0.35 -0.42 119.74 124.96 2jjs s LYS 81 Ca 0.33 -0.84 -0.09 0.00 0.02 0.00 0.00 55.97 55.39 2jjs s LYS 81 Cb -0.20 -2.23 -0.00 0.00 -0.52 0.00 0.00 37.83 34.88 2jjs s LYS 81 CO 0.20 0.45 0.25 0.00 -0.92 0.00 0.00 175.35 175.33 2jjs s MET 82 N -0.31 1.03 0.71 1.68 0.23 -0.86 -1.30 119.30 120.47 2jjs s MET 82 Ca 0.01 -1.07 -0.11 0.00 -1.03 0.00 0.00 55.69 53.49 2jjs s MET 82 Cb -0.13 0.37 0.02 0.00 -1.53 0.00 0.00 34.83 33.56 2jjs s MET 82 CO 0.02 -0.36 1.07 0.16 -2.03 0.00 0.00 175.02 173.89 2jjs s ASP 83 N -2.92 5.33 0.51 -1.18 1.47 -1.26 -0.51 116.67 118.12 2jjs s ASP 83 Ca 0.12 1.37 0.22 0.00 1.18 0.00 0.00 52.55 55.44 2jjs s ASP 83 Cb 0.04 -2.23 1.37 0.00 -0.34 0.00 0.00 42.92 41.76 2jjs s ASP 83 CO -0.05 -1.44 2.10 0.07 0.68 0.00 0.00 175.17 176.53 2jjs h LYS 84 N -0.72 0.00 0.05 2.11 2.10 -1.68 -2.10 116.57 116.34 2jjs h LYS 84 Ca -0.45 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.20 2jjs h LYS 84 Cb 1.23 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.56 2jjs h LYS 84 CO 0.60 0.10 -0.03 0.66 -2.00 0.00 0.00 179.45 178.78 2jjs h SER 85 N 0.00 -0.06 0.00 7.07 4.64 -1.93 -0.58 113.55 122.69 2jjs h SER 85 Ca -0.00 -0.31 -0.03 0.00 -0.47 0.00 0.00 61.79 60.99 2jjs h SER 85 Cb 0.20 0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 62.30 2jjs h SER 85 CO 0.01 0.28 -0.06 0.44 -0.87 0.00 0.00 176.83 176.63 2jjs h ASP 86 N -0.41 0.14 0.01 4.97 3.32 -1.86 -3.24 116.42 119.34 2jjs h ASP 86 Ca -0.01 -0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.03 2jjs h ASP 86 Cb 0.36 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.88 2jjs h ASP 86 CO 0.01 0.22 -0.00 0.00 -1.72 0.00 0.00 179.24 177.75 2jjs h ALA 87 N 1.80 -0.01 0.00 3.45 0.00 -1.17 -3.19 119.26 120.14 2jjs h ALA 87 Ca 0.03 -0.36 -0.03 0.00 0.00 0.00 0.00 54.91 54.55 2jjs h ALA 87 Cb 0.20 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 2jjs h ALA 87 CO 0.01 -0.13 -0.16 -0.24 0.00 0.00 0.00 179.25 178.73 2jjs h VAL 88 N -0.75 0.99 -0.01 0.00 3.04 -1.13 -1.92 116.25 116.47 2jjs h VAL 88 Ca -0.00 -0.57 0.00 0.00 -1.01 0.00 0.00 66.70 65.12 2jjs h VAL 88 Cb 0.73 1.32 0.00 0.00 -2.01 0.00 0.00 31.29 31.33 2jjs h VAL 88 CO 0.00 0.16 -0.22 -1.54 -1.01 0.00 0.00 177.57 174.96 2jjs n SER 89 N -4.18 1.51 -2.68 3.17 3.41 -1.23 -4.38 113.62 109.25 2jjs n SER 89 Ca -0.02 -1.25 -0.15 0.00 -0.26 0.00 0.00 58.87 57.18 2jjs n SER 89 Cb 0.23 0.16 0.01 0.00 -0.26 0.00 0.00 64.21 64.36 2jjs n SER 89 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 2jjs n HIS 90 N -0.16 1.72 -2.38 7.33 8.25 -0.73 -5.09 115.22 124.16 2jjs n HIS 90 Ca 0.13 -3.02 -0.33 0.00 -0.26 0.00 0.00 57.72 54.24 2jjs n HIS 90 Cb 0.40 -0.32 -0.03 0.00 1.12 0.00 0.00 29.99 31.16 2jjs n HIS 90 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 2jjs s THR 91 N -3.69 4.26 -4.01 1.59 -4.23 -1.19 -4.89 115.64 103.48 2jjs s THR 91 Ca 0.34 1.15 0.00 0.00 -1.18 0.00 0.00 61.69 62.01 2jjs s THR 91 Cb 0.43 -3.59 0.00 0.00 1.34 0.00 0.00 72.50 70.67 2jjs s THR 91 CO -0.04 -0.55 0.00 0.61 -0.54 0.00 0.00 174.62 174.10 2jjs n GLY 92 N -1.18 0.87 3.67 3.99 0.00 -0.65 -5.01 105.19 106.88 2jjs n GLY 92 Ca 0.07 -1.94 -0.39 0.00 0.00 0.00 0.00 46.02 43.76 2jjs n GLY 92 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2jjs s ASN 93 N -4.00 6.59 -0.11 1.61 0.01 -1.26 -0.45 114.94 117.33 2jjs s ASN 93 Ca 0.00 0.71 -0.01 0.00 -0.71 0.00 0.00 52.86 52.85 2jjs s ASN 93 Cb 0.00 -2.30 -0.03 0.00 0.41 0.00 0.00 41.25 39.33 2jjs s ASN 93 CO 0.00 -0.18 -0.05 -0.31 -1.51 0.00 0.00 177.10 175.05 2jjs s TYR 94 N 1.58 2.99 -0.19 2.20 2.02 -0.15 -4.35 117.35 121.46 2jjs s TYR 94 Ca 0.25 -0.13 -0.05 0.00 -0.37 0.00 0.00 57.07 56.78 2jjs s TYR 94 Cb -0.15 -1.83 -0.03 0.00 -0.40 0.00 0.00 41.96 39.55 2jjs s TYR 94 CO 0.10 0.17 -0.01 0.99 -1.57 0.00 0.00 175.55 175.23 2jjs s THR 95 N -0.28 3.95 -0.32 -0.71 2.01 -0.36 -0.91 115.64 119.02 2jjs s THR 95 Ca 0.04 -0.32 -0.11 0.00 0.31 0.00 0.00 61.69 61.61 2jjs s THR 95 Cb -0.13 -2.77 -0.02 0.00 0.01 0.00 0.00 72.50 69.60 2jjs s THR 95 CO 0.02 0.45 0.20 0.00 -0.69 0.00 0.00 174.62 174.61 2jjs s GLU 97 N 1.68 3.36 -0.01 0.00 2.12 0.57 -1.38 118.70 125.04 2jjs s GLU 97 Ca 0.06 -0.65 0.08 0.00 0.36 0.00 0.00 54.97 54.81 2jjs s GLU 97 Cb -0.17 -2.88 -0.02 0.00 0.26 0.00 0.00 34.13 31.32 2jjs s GLU 97 CO 0.09 -0.08 -0.25 0.08 -0.54 0.00 0.00 175.26 174.56 2jjs s VAL 98 N 1.15 1.96 -0.03 3.70 1.01 -0.49 -0.99 120.40 126.71 2jjs s VAL 98 Ca 0.02 -1.09 0.04 0.00 0.00 0.00 0.00 61.98 60.94 2jjs s VAL 98 Cb -0.14 -1.63 -0.00 0.00 0.00 0.00 0.00 36.38 34.60 2jjs s VAL 98 CO -0.02 0.53 -0.14 -0.89 0.00 0.00 0.00 175.10 174.58 2jjs s THR 99 N -0.60 1.14 -0.16 3.92 2.01 -0.44 -1.84 115.64 119.67 2jjs s THR 99 Ca 0.10 -0.57 -0.03 0.00 0.31 0.00 0.00 61.69 61.50 2jjs s THR 99 Cb -0.10 -0.97 0.05 0.00 0.01 0.00 0.00 72.50 71.49 2jjs s THR 99 CO -0.01 0.33 0.03 -0.70 -0.69 0.00 0.00 174.62 173.58 2jjs s GLU 100 N -0.03 0.60 3.73 4.92 2.12 -0.06 -1.35 118.70 128.64 2jjs s GLU 100 Ca -0.01 -0.24 0.00 0.00 0.36 0.00 0.00 54.97 55.08 2jjs s GLU 100 Cb -0.09 -1.76 0.00 0.00 0.26 0.00 0.00 34.13 32.55 2jjs s GLU 100 CO 0.01 -0.54 0.00 1.28 -0.54 0.00 0.00 175.26 175.47 2jjs n LEU 101 N 5.09 0.00 -0.01 2.70 4.77 -0.18 -1.53 117.00 127.85 2jjs n LEU 101 Ca -0.08 0.00 0.10 0.00 -0.03 0.00 0.00 56.01 56.00 2jjs n LEU 101 Cb 0.48 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.43 2jjs n LEU 101 CO 0.12 0.00 -0.53 0.41 -1.33 0.00 0.00 177.39 176.06 2jjs n THR 102 N 0.00 0.00 -2.37 -5.08 -1.04 -1.26 -4.96 114.28 99.56 2jjs n THR 102 Ca 0.00 -0.34 -0.41 0.00 -2.04 0.00 0.00 64.05 61.27 2jjs n THR 102 Cb 0.00 0.32 -0.04 0.00 -1.82 0.00 0.00 70.33 68.80 2jjs n THR 102 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 2jjs s ARG 103 N -3.23 4.54 0.11 -2.82 0.52 -0.58 -5.04 118.95 112.44 2jjs s ARG 103 Ca -0.03 1.91 -0.01 0.00 -0.52 0.00 0.00 55.73 57.08 2jjs s ARG 103 Cb 0.13 -3.18 -0.04 0.00 0.52 0.00 0.00 34.95 32.38 2jjs s ARG 103 CO 0.83 0.04 0.02 -1.83 0.02 0.00 0.00 175.30 174.37 2jjs s GLU 104 N -1.12 0.83 -0.03 3.54 -1.05 -1.26 -0.88 118.70 118.74 2jjs s GLU 104 Ca 0.48 -1.37 -0.30 0.00 -0.15 0.00 0.00 54.97 53.62 2jjs s GLU 104 Cb -0.34 0.18 0.11 0.00 -0.44 0.00 0.00 34.13 33.64 2jjs s GLU 104 CO 0.42 -0.19 1.11 0.20 0.95 0.00 0.00 175.26 177.75 2jjs s GLY 105 N -3.02 -0.35 0.12 -3.83 0.00 -0.76 -1.74 107.32 97.74 2jjs s GLY 105 Ca 0.18 0.92 -0.09 0.00 0.00 0.00 0.00 44.72 45.74 2jjs s GLY 105 CO -0.02 0.27 0.23 -1.83 0.00 0.00 0.00 173.10 171.75 2jjs s GLU 106 N -2.74 0.99 0.05 2.90 -1.05 -1.26 -1.40 118.70 116.18 2jjs s GLU 106 Ca 0.10 -1.06 -0.09 0.00 -0.15 0.00 0.00 54.97 53.78 2jjs s GLU 106 Cb 0.01 0.36 -0.00 0.00 -0.44 0.00 0.00 34.13 34.05 2jjs s GLU 106 CO -0.04 -0.34 0.17 -0.08 0.95 0.00 0.00 175.26 175.93 2jjs s THR 107 N -3.91 0.12 -0.02 1.83 -1.32 -0.48 -4.97 115.64 106.89 2jjs s THR 107 Ca 0.11 -0.97 0.07 0.00 -1.21 0.00 0.00 61.69 59.69 2jjs s THR 107 Cb 0.04 -0.97 -0.02 0.00 -1.51 0.00 0.00 72.50 70.04 2jjs s THR 107 CO -0.06 -0.54 -0.24 -0.63 -2.21 0.00 0.00 174.62 170.95 2jjs s ILE 108 N -2.74 2.26 -0.03 5.08 1.01 -1.26 -0.63 121.20 124.89 2jjs s ILE 108 Ca -0.04 -1.06 0.01 0.00 0.00 0.00 0.00 60.65 59.57 2jjs s ILE 108 Cb -0.00 -1.81 0.01 0.00 0.01 0.00 0.00 42.46 40.67 2jjs s ILE 108 CO -0.05 0.56 -0.05 -0.63 0.00 0.00 0.00 174.94 174.78 2jjs s ILE 109 N -0.65 0.49 -0.17 2.92 1.09 -0.09 -4.72 121.20 120.07 2jjs s ILE 109 Ca 0.11 -0.15 -0.22 0.00 -1.10 0.00 0.00 60.65 59.28 2jjs s ILE 109 Cb -0.10 -0.49 -0.02 0.00 -1.06 0.00 0.00 42.46 40.78 2jjs s ILE 109 CO -0.00 0.19 0.68 -0.70 -0.10 0.00 0.00 174.94 175.01 2jjs s GLU 110 N 0.57 4.27 -0.33 2.79 2.12 -0.72 -0.98 118.70 126.43 2jjs s GLU 110 Ca -0.07 0.75 -0.20 0.00 0.36 0.00 0.00 54.97 55.81 2jjs s GLU 110 Cb -0.11 -3.55 -0.01 0.00 0.26 0.00 0.00 34.13 30.73 2jjs s GLU 110 CO -0.00 -0.20 0.60 -1.17 -0.54 0.00 0.00 175.26 173.95 2jjs s LEU 111 N 1.74 4.21 -0.09 2.70 2.96 0.41 -1.17 118.68 129.45 2jjs s LEU 111 Ca 0.32 0.25 0.02 0.00 -0.22 0.00 0.00 54.13 54.50 2jjs s LEU 111 Cb -0.16 -2.75 -0.02 0.00 0.50 0.00 0.00 46.19 43.76 2jjs s LEU 111 CO 0.12 -0.50 -0.15 -0.54 -1.32 0.00 0.00 176.35 173.95 2jjs s LYS 112 N 2.58 2.89 -0.22 1.98 1.02 -0.22 -1.64 119.74 126.13 2jjs s LYS 112 Ca 0.23 -0.72 -0.07 0.00 0.02 0.00 0.00 55.97 55.43 2jjs s LYS 112 Cb -0.15 -2.46 -0.03 0.00 -0.52 0.00 0.00 37.83 34.67 2jjs s LYS 112 CO 0.13 0.41 0.05 -0.47 -0.92 0.00 0.00 175.35 174.56 2jjs s TYR 113 N -0.19 3.12 -0.25 3.18 5.04 -1.26 -1.66 117.35 125.32 2jjs s TYR 113 Ca -0.00 -0.27 -0.11 0.00 -2.44 0.00 0.00 57.07 54.25 2jjs s TYR 113 Cb -0.13 -2.16 -0.05 0.00 0.35 0.00 0.00 41.96 39.97 2jjs s TYR 113 CO 0.03 -0.18 0.17 0.50 -1.34 0.00 0.00 175.55 174.73 2jjs s ARG 114 N 1.11 4.03 -0.09 4.97 3.52 -0.19 -4.98 118.95 127.32 2jjs s ARG 114 Ca 0.04 -0.29 -0.28 0.00 -0.13 0.00 0.00 55.73 55.07 2jjs s ARG 114 Cb -0.14 -3.57 -0.02 0.00 -1.56 0.00 0.00 34.95 29.66 2jjs s ARG 114 CO 0.03 -0.02 0.94 0.08 -0.81 0.00 0.00 175.30 175.52 2jjs s VAL 115 N 1.29 4.84 -1.17 7.11 1.01 -1.26 -4.44 120.40 127.78 2jjs s VAL 115 Ca 0.07 1.92 0.09 0.00 0.00 0.00 0.00 61.98 64.06 2jjs s VAL 115 Cb -0.14 -4.26 0.07 0.00 0.00 0.00 0.00 36.38 32.05 2jjs s VAL 115 CO 0.07 0.06 0.80 0.52 0.00 0.00 0.00 175.10 176.54