#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kjz s THR 2 N 0.00 0.62 -0.42 3.17 2.01 -1.26 -5.14 115.64 114.62 2kjz s THR 2 Ca 0.00 -0.55 -0.16 0.00 0.31 0.00 0.00 61.69 61.29 2kjz s THR 2 Cb 0.00 -0.56 0.02 0.00 0.01 0.00 0.00 72.50 71.97 2kjz s THR 2 CO 0.00 0.03 0.36 -1.38 -0.69 0.00 0.00 174.62 172.94 2kjz s HIS 3 N -0.50 3.21 -1.40 4.92 0.00 -1.26 -5.00 115.29 115.26 2kjz s HIS 3 Ca -0.00 -0.53 -0.14 0.00 -3.00 0.00 0.00 55.06 51.39 2kjz s HIS 3 Cb -0.05 -2.75 0.07 0.00 -4.00 0.00 0.00 32.58 25.85 2kjz s HIS 3 CO 0.00 -0.65 2.06 -0.35 -1.00 0.00 0.00 174.74 174.81 2kjz n PRO 4 N 5.34 3.05 -0.01 -0.38 -0.04 -1.26 -4.74 135.00 136.96 2kjz n PRO 4 Ca -0.10 -2.90 0.00 0.00 -0.04 0.00 0.00 63.50 60.47 2kjz n PRO 4 Cb 0.47 -3.26 0.02 0.00 -0.04 0.00 0.00 33.50 30.69 2kjz n PRO 4 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 2kjz n ASP 5 N 6.13 0.09 -3.93 3.54 5.75 -1.26 -4.73 116.55 122.13 2kjz n ASP 5 Ca 0.49 -1.99 -0.19 0.00 -0.01 0.00 0.00 54.79 53.10 2kjz n ASP 5 Cb 0.40 -0.01 -0.16 0.00 -1.03 0.00 0.00 41.12 40.32 2kjz n ASP 5 CO 0.00 0.00 0.00 0.12 -0.11 0.00 0.00 177.20 177.21 2kjz s PHE 6 N -1.98 0.68 -0.00 2.11 5.36 -1.26 -3.10 117.98 119.79 2kjz s PHE 6 Ca 0.02 -0.16 0.01 0.00 -0.96 0.00 0.00 56.93 55.83 2kjz s PHE 6 Cb 0.01 -0.54 -0.00 0.00 -0.34 0.00 0.00 43.02 42.15 2kjz s PHE 6 CO 0.01 -0.11 -0.02 -0.08 -1.46 0.00 0.00 175.22 173.56 2kjz s THR 7 N 0.43 0.18 0.02 0.12 -1.32 -0.69 -5.03 115.64 109.35 2kjz s THR 7 Ca -0.05 -0.09 0.05 0.00 -1.21 0.00 0.00 61.69 60.39 2kjz s THR 7 Cb -0.09 -0.17 -0.02 0.00 -1.51 0.00 0.00 72.50 70.71 2kjz s THR 7 CO 0.00 0.06 -0.16 -0.63 -2.21 0.00 0.00 174.62 171.67 2kjz s ILE 8 N -0.01 1.28 0.01 5.08 1.01 -1.26 -0.80 121.20 126.50 2kjz s ILE 8 Ca 0.00 -0.89 0.02 0.00 0.00 0.00 0.00 60.65 59.78 2kjz s ILE 8 Cb -0.01 -1.11 -0.04 0.00 0.01 0.00 0.00 42.46 41.31 2kjz s ILE 8 CO -0.00 0.20 -0.02 -0.76 0.00 0.00 0.00 174.94 174.36 2kjz s LEU 9 N -0.81 3.43 -0.22 2.97 2.01 -1.10 -4.93 118.68 120.03 2kjz s LEU 9 Ca 0.05 -0.05 -0.17 0.00 0.01 0.00 0.00 54.13 53.97 2kjz s LEU 9 Cb -0.07 -1.98 -0.04 0.00 0.01 0.00 0.00 46.19 44.11 2kjz s LEU 9 CO 0.01 0.27 0.44 -0.31 1.01 0.00 0.00 176.35 177.77 2kjz s TYR 10 N -1.08 3.34 0.24 0.29 2.02 -1.26 -1.91 117.35 118.99 2kjz s TYR 10 Ca 0.19 0.63 0.08 0.00 -0.37 0.00 0.00 57.07 57.61 2kjz s TYR 10 Cb -0.11 -2.60 -0.05 0.00 -0.40 0.00 0.00 41.96 38.80 2kjz s TYR 10 CO 0.10 -0.10 -0.14 0.14 -1.57 0.00 0.00 175.55 173.98 2kjz s VAL 11 N 1.64 1.88 -0.10 0.71 -7.23 -0.84 -4.85 120.40 111.62 2kjz s VAL 11 Ca 0.20 -2.24 -0.08 0.00 -1.81 0.00 0.00 61.98 58.05 2kjz s VAL 11 Cb -0.15 -2.19 -0.03 0.00 0.56 0.00 0.00 36.38 34.57 2kjz s VAL 11 CO 0.09 -0.49 -0.16 -0.67 -0.31 0.00 0.00 175.10 173.56 2kjz n ASP 12 N -0.48 1.23 -4.35 4.85 2.03 -1.26 -1.12 116.55 117.45 2kjz n ASP 12 Ca -0.07 0.40 -0.45 0.00 0.52 0.00 0.00 54.79 55.19 2kjz n ASP 12 Cb 0.61 -0.71 -0.05 0.00 -0.72 0.00 0.00 41.12 40.25 2kjz n ASP 12 CO 0.00 0.00 0.00 0.21 -1.92 0.00 0.00 177.20 175.49 2kjz s ASN 13 N -5.09 6.19 0.12 1.67 2.47 -1.26 -4.78 114.94 114.26 2kjz s ASN 13 Ca -0.13 -1.59 -0.22 0.00 0.42 0.00 0.00 52.86 51.34 2kjz s ASN 13 Cb 0.02 -2.26 -0.04 0.00 -1.45 0.00 0.00 41.25 37.52 2kjz s ASN 13 CO 0.20 -0.99 1.68 -0.65 -3.72 0.00 0.00 177.10 173.61 2kjz h PRO 14 N 9.05 -0.17 -0.31 0.43 0.11 -1.88 -2.22 132.00 137.01 2kjz h PRO 14 Ca -0.30 0.01 0.07 0.00 0.11 0.00 0.00 66.00 65.89 2kjz h PRO 14 Cb 1.09 0.04 -0.07 0.00 0.11 0.00 0.00 31.00 32.17 2kjz h PRO 14 CO 1.07 -0.11 -0.17 -1.35 -0.21 0.00 0.00 178.00 177.23 2kjz h PRO 15 N -0.17 -0.13 -0.25 1.05 0.11 -1.95 -1.35 132.00 129.31 2kjz h PRO 15 Ca 0.08 0.01 -0.20 0.00 0.11 0.00 0.00 66.00 66.00 2kjz h PRO 15 Cb 0.28 0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.43 2kjz h PRO 15 CO -0.20 -0.08 -0.62 0.00 -0.21 0.00 0.00 178.00 176.89 2kjz h ALA 16 N 1.08 0.42 0.06 -0.75 0.00 -1.99 -2.75 119.26 115.34 2kjz h ALA 16 Ca 0.16 -0.54 -0.24 0.00 0.00 0.00 0.00 54.91 54.29 2kjz h ALA 16 Cb 0.38 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.11 2kjz h ALA 16 CO -0.40 0.68 -1.07 0.66 0.00 0.00 0.00 179.25 179.13 2kjz h SER 17 N 0.64 0.43 -0.19 0.00 4.64 -1.34 -2.16 113.55 115.57 2kjz h SER 17 Ca -0.01 -0.40 -0.01 0.00 -0.47 0.00 0.00 61.79 60.91 2kjz h SER 17 Cb 1.23 -0.14 -0.01 0.00 -0.31 0.00 0.00 62.40 63.18 2kjz h SER 17 CO 0.13 1.25 0.09 0.74 -0.87 0.00 0.00 176.83 178.17 2kjz h THR 18 N 0.14 1.13 -0.46 2.95 2.02 -1.24 -1.23 112.91 116.22 2kjz h THR 18 Ca -0.10 -0.38 -0.03 0.00 0.77 0.00 0.00 66.41 66.67 2kjz h THR 18 Cb 1.75 1.04 -0.02 0.00 -1.74 0.00 0.00 68.15 69.17 2kjz h THR 18 CO 0.18 0.13 0.15 1.56 0.37 0.00 0.00 175.52 177.90 2kjz h GLN 19 N 0.18 0.67 -0.29 6.66 1.08 -1.54 -1.02 115.11 120.85 2kjz h GLN 19 Ca 0.07 -0.11 -0.03 0.00 -1.45 0.00 0.00 58.65 57.13 2kjz h GLN 19 Cb 0.12 -0.12 -0.01 0.00 -0.05 0.00 0.00 27.48 27.42 2kjz h GLN 19 CO -0.01 0.59 0.06 0.35 -0.95 0.00 0.00 178.83 178.87 2kjz h PHE 20 N 0.66 0.50 -0.14 2.96 3.57 -1.09 -2.67 116.94 120.73 2kjz h PHE 20 Ca 0.16 -0.07 -0.10 0.00 3.53 0.00 0.00 57.97 61.49 2kjz h PHE 20 Cb 0.19 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 38.78 2kjz h PHE 20 CO 0.01 0.56 -0.34 1.88 -2.23 0.00 0.00 178.31 178.18 2kjz h TYR 21 N 0.31 0.34 -0.32 0.41 -1.99 -0.93 -1.15 116.97 113.63 2kjz h TYR 21 Ca 0.09 -0.08 0.04 0.00 2.00 0.00 0.00 58.73 60.78 2kjz h TYR 21 Cb 0.31 -0.08 -0.03 0.00 2.00 0.00 0.00 36.73 38.93 2kjz h TYR 21 CO 0.02 0.61 0.11 0.87 -0.00 0.00 0.00 178.16 179.76 2kjz h LYS 22 N 0.25 0.24 0.07 4.88 1.57 -0.86 -1.49 116.57 121.23 2kjz h LYS 22 Ca 0.03 -0.01 -0.24 0.00 -1.87 0.00 0.00 60.65 58.55 2kjz h LYS 22 Cb 0.73 -0.05 -0.00 0.00 0.08 0.00 0.00 32.23 32.98 2kjz h LYS 22 CO 0.06 0.16 -1.08 0.00 -0.57 0.00 0.00 179.45 178.01 2kjz h ALA 23 N 1.20 0.26 -0.13 3.86 0.00 -1.50 0.87 119.26 123.82 2kjz h ALA 23 Ca 0.14 -0.82 -0.00 0.00 0.00 0.00 0.00 54.91 54.23 2kjz h ALA 23 Cb 0.11 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 2kjz h ALA 23 CO -0.15 0.95 0.08 1.25 0.00 0.00 0.00 179.25 181.38 2kjz h LEU 24 N 0.11 0.16 0.00 0.00 5.85 -0.86 -3.06 115.31 117.51 2kjz h LEU 24 Ca -0.09 -0.01 -0.46 0.00 0.84 0.00 0.00 57.88 58.16 2kjz h LEU 24 Cb 1.78 -0.04 -0.07 0.00 0.37 0.00 0.00 40.66 42.70 2kjz h LEU 24 CO 0.18 0.12 -2.54 0.18 -0.34 0.00 0.00 178.44 176.04 2kjz n LEU 25 N -4.51 2.11 0.00 2.25 4.77 -0.59 -5.04 117.00 115.98 2kjz n LEU 25 Ca -0.01 0.27 0.00 0.00 -0.03 0.00 0.00 56.01 56.24 2kjz n LEU 25 Cb 0.09 -0.83 0.00 0.00 -2.33 0.00 0.00 43.42 40.34 2kjz n LEU 25 CO 0.35 0.63 0.00 0.61 -1.33 0.00 0.00 177.39 177.65 2kjz n GLY 26 N 1.40 1.91 2.97 -0.72 0.00 -0.07 -5.11 105.19 105.57 2kjz n GLY 26 Ca -0.54 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.25 2kjz n GLY 26 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2kjz n VAL 27 N -0.73 0.00 -4.43 1.61 0.24 0.10 -4.99 118.33 110.14 2kjz n VAL 27 Ca 0.00 -2.09 -0.20 0.00 -2.04 0.00 0.00 64.34 60.01 2kjz n VAL 27 Cb 0.00 0.70 -0.14 0.00 -1.47 0.00 0.00 33.84 32.93 2kjz n VAL 27 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2kjz s ASP 28 N -3.23 1.48 -0.01 -1.34 2.15 -1.26 -4.50 116.67 109.95 2kjz s ASP 28 Ca 0.15 -0.33 -0.30 0.00 0.43 0.00 0.00 52.55 52.50 2kjz s ASP 28 Cb 0.01 -0.13 -0.07 0.00 -0.30 0.00 0.00 42.92 42.43 2kjz s ASP 28 CO 0.11 0.08 1.80 -2.16 -0.17 0.00 0.00 175.17 174.83 2kjz s PRO 29 N -0.71 4.16 0.14 4.34 0.04 -1.26 -4.75 135.00 136.95 2kjz s PRO 29 Ca 0.03 2.38 -0.15 0.00 0.04 0.00 0.00 61.00 63.29 2kjz s PRO 29 Cb -0.06 -4.07 0.00 0.00 0.04 0.00 0.00 34.50 30.41 2kjz s PRO 29 CO 0.00 -0.90 1.66 -0.24 0.04 0.00 0.00 177.00 177.56 2kjz h VAL 30 N 5.61 1.22 -3.47 -0.36 3.04 -0.78 -3.36 116.25 118.16 2kjz h VAL 30 Ca -0.44 -0.74 -0.67 0.00 -1.01 0.00 0.00 66.70 63.85 2kjz h VAL 30 Cb 1.20 0.89 -0.38 0.00 -2.01 0.00 0.00 31.29 30.99 2kjz h VAL 30 CO 0.95 0.26 -0.49 -1.61 -1.01 0.00 0.00 177.57 175.67 2kjz s GLU 31 N -5.39 2.29 0.23 4.17 0.41 -0.89 -5.02 118.70 114.49 2kjz s GLU 31 Ca -0.13 -2.60 -0.11 0.00 -0.41 0.00 0.00 54.97 51.72 2kjz s GLU 31 Cb 0.10 -3.53 -0.07 0.00 -1.78 0.00 0.00 34.13 28.85 2kjz s GLU 31 CO 0.77 -1.14 0.58 -1.54 -0.49 0.00 0.00 175.26 173.43 2kjz s SER 32 N 0.17 6.67 -0.00 -0.19 1.04 -1.26 -1.35 113.70 118.77 2kjz s SER 32 Ca 0.17 0.99 -0.18 0.00 0.48 0.00 0.00 55.95 57.41 2kjz s SER 32 Cb -0.23 -2.25 0.03 0.00 0.10 0.00 0.00 66.02 63.67 2kjz s SER 32 CO -0.02 -0.07 0.38 -0.55 0.98 0.00 0.00 173.24 173.96 2kjz s SER 33 N -2.28 -0.27 0.62 7.02 0.15 -0.22 -4.98 113.70 113.75 2kjz s SER 33 Ca 0.47 0.12 0.41 0.00 0.70 0.00 0.00 55.95 57.65 2kjz s SER 33 Cb -0.11 0.37 2.04 0.00 -1.71 0.00 0.00 66.02 66.61 2kjz s SER 33 CO 0.20 -0.53 2.23 1.55 1.20 0.00 0.00 173.24 177.89 2kjz h PRO 34 N 3.50 0.00 0.00 5.44 0.13 -2.01 -3.05 132.00 136.01 2kjz h PRO 34 Ca -0.30 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.83 2kjz h PRO 34 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 2kjz h PRO 34 CO 0.41 0.00 -0.05 -2.37 -0.23 0.00 0.00 178.00 175.77 2kjz n THR 35 N -3.10 0.70 -3.60 1.56 5.66 -1.26 -4.67 114.28 109.58 2kjz n THR 35 Ca -0.02 -0.75 -0.15 0.00 -3.05 0.00 0.00 64.05 60.08 2kjz n THR 35 Cb 0.16 0.56 -0.06 0.00 -1.55 0.00 0.00 70.33 69.44 2kjz n THR 35 CO 0.00 0.00 0.00 0.12 -3.05 0.00 0.00 175.07 172.14 2kjz s PHE 36 N -0.84 -0.43 -0.05 1.09 5.36 -1.15 -3.02 117.98 118.93 2kjz s PHE 36 Ca 0.04 0.58 -0.05 0.00 -0.96 0.00 0.00 56.93 56.55 2kjz s PHE 36 Cb 0.04 0.31 0.02 0.00 -0.34 0.00 0.00 43.02 43.04 2kjz s PHE 36 CO 0.00 -0.59 0.14 -1.12 -1.46 0.00 0.00 175.22 172.20 2kjz s SER 37 N -1.67 -0.14 -0.18 6.13 0.01 -0.43 -1.06 113.70 116.36 2kjz s SER 37 Ca -0.08 0.29 0.00 0.00 1.31 0.00 0.00 55.95 57.47 2kjz s SER 37 Cb -0.01 0.27 0.04 0.00 0.21 0.00 0.00 66.02 66.53 2kjz s SER 37 CO 0.02 -0.06 -0.09 -0.22 0.41 0.00 0.00 173.24 173.30 2kjz s LEU 38 N 0.23 1.90 -0.18 2.44 2.96 -0.46 -0.22 118.68 125.36 2kjz s LEU 38 Ca -0.01 -0.73 -0.01 0.00 -0.22 0.00 0.00 54.13 53.16 2kjz s LEU 38 Cb -0.02 -1.08 0.05 0.00 0.50 0.00 0.00 46.19 45.63 2kjz s LEU 38 CO -0.01 -0.15 -0.01 0.72 -1.32 0.00 0.00 176.35 175.58 2kjz s PHE 39 N 1.51 1.46 -0.05 5.38 -0.71 -0.32 0.03 117.98 125.29 2kjz s PHE 39 Ca 0.01 -1.02 -0.01 0.00 -1.04 0.00 0.00 56.93 54.87 2kjz s PHE 39 Cb -0.15 -1.20 -0.03 0.00 -1.21 0.00 0.00 43.02 40.42 2kjz s PHE 39 CO -0.08 -0.61 0.02 0.54 -1.34 0.00 0.00 175.22 173.74 2kjz s VAL 40 N 1.71 4.35 0.21 -2.49 0.11 -1.26 -2.04 120.40 120.98 2kjz s VAL 40 Ca -0.01 -0.37 0.06 0.00 -2.93 0.00 0.00 61.98 58.73 2kjz s VAL 40 Cb -0.16 -2.89 -0.04 0.00 -1.53 0.00 0.00 36.38 31.76 2kjz s VAL 40 CO -0.07 0.50 0.15 -0.76 -3.33 0.00 0.00 175.10 171.59 2kjz s LEU 41 N -1.22 3.77 0.53 2.54 1.02 -0.69 -4.98 118.68 119.64 2kjz s LEU 41 Ca 0.17 -0.21 0.30 0.00 0.02 0.00 0.00 54.13 54.41 2kjz s LEU 41 Cb -0.11 -2.35 1.40 0.00 0.02 0.00 0.00 46.19 45.15 2kjz s LEU 41 CO 0.06 0.02 2.02 0.00 0.02 0.00 0.00 176.35 178.47 2kjz h ALA 42 N 2.01 1.10 0.00 4.21 0.00 -2.01 -2.50 119.26 122.07 2kjz h ALA 42 Ca -0.48 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.34 2kjz h ALA 42 Cb 1.22 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.99 2kjz h ALA 42 CO 0.62 0.12 0.00 -2.95 0.00 0.00 0.00 179.25 177.04 2kjz h ASN 43 N 0.00 0.00 0.00 0.00 -1.07 -2.06 -3.47 115.58 108.99 2kjz h ASN 43 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.37 2kjz h ASN 43 Cb 0.46 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.71 2kjz h ASN 43 CO 0.01 0.00 0.00 0.61 0.07 0.00 0.00 177.43 178.12 2kjz n GLY 44 N 0.03 1.26 3.86 9.14 0.00 -0.94 -5.12 105.19 113.41 2kjz n GLY 44 Ca 0.01 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.76 2kjz n GLY 44 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 2kjz s MET 45 N -0.28 3.13 -0.07 1.61 0.23 -1.26 -5.00 119.30 117.65 2kjz s MET 45 Ca 0.00 -0.72 0.03 0.00 -1.03 0.00 0.00 55.69 53.97 2kjz s MET 45 Cb 0.00 -2.80 0.01 0.00 -1.53 0.00 0.00 34.83 30.51 2kjz s MET 45 CO 0.00 0.52 -0.17 0.21 -2.03 0.00 0.00 175.02 173.54 2kjz s LYS 46 N -3.03 2.16 -0.08 3.16 2.20 -1.18 -1.71 119.74 121.27 2kjz s LYS 46 Ca 0.32 -0.61 0.02 0.00 -0.36 0.00 0.00 55.97 55.34 2kjz s LYS 46 Cb -0.11 -1.73 0.02 0.00 -1.51 0.00 0.00 37.83 34.50 2kjz s LYS 46 CO 0.25 0.12 -0.12 -1.17 -0.36 0.00 0.00 175.35 174.08 2kjz s LEU 47 N 0.44 1.57 0.41 5.43 0.20 -0.87 -1.71 118.68 124.15 2kjz s LEU 47 Ca -0.14 -0.31 0.08 0.00 0.69 0.00 0.00 54.13 54.45 2kjz s LEU 47 Cb -0.16 -0.85 -0.01 0.00 -0.43 0.00 0.00 46.19 44.74 2kjz s LEU 47 CO 0.05 0.00 0.43 -0.83 -0.29 0.00 0.00 176.35 175.72 2kjz s GLY 48 N 0.89 2.07 -0.24 7.98 0.00 0.02 -1.17 107.32 116.87 2kjz s GLY 48 Ca -0.10 -1.81 -0.03 0.00 0.00 0.00 0.00 44.72 42.77 2kjz s GLY 48 CO 0.01 -1.63 0.20 -2.27 0.00 0.00 0.00 173.10 169.40 2kjz s LEU 49 N -4.19 0.10 -0.19 0.66 2.96 0.70 -2.71 118.68 116.01 2kjz s LEU 49 Ca 0.50 -0.70 -0.06 0.00 -0.22 0.00 0.00 54.13 53.65 2kjz s LEU 49 Cb -0.05 0.13 -0.03 0.00 0.50 0.00 0.00 46.19 46.73 2kjz s LEU 49 CO 0.29 -0.38 0.02 0.86 -1.32 0.00 0.00 176.35 175.83 2kjz s TRP 50 N 2.25 3.11 0.07 5.38 -0.11 -0.80 -1.32 118.94 127.52 2kjz s TRP 50 Ca 0.07 -0.22 -0.31 0.00 1.22 0.00 0.00 56.10 56.86 2kjz s TRP 50 Cb -0.15 -2.06 -0.06 0.00 -1.50 0.00 0.00 33.47 29.69 2kjz s TRP 50 CO -0.24 -0.06 1.24 -1.12 -4.62 0.00 0.00 176.95 172.16 2kjz s SER 51 N 0.67 7.02 0.05 5.86 0.01 -1.17 -1.99 113.70 124.16 2kjz s SER 51 Ca 0.01 2.09 0.14 0.00 1.31 0.00 0.00 55.95 59.50 2kjz s SER 51 Cb -0.14 -2.58 0.62 0.00 0.21 0.00 0.00 66.02 64.13 2kjz s SER 51 CO 0.02 -0.51 1.45 -2.11 0.41 0.00 0.00 173.24 172.50 2kjz n ARG 52 N 3.95 0.04 0.14 12.44 1.85 -0.28 -1.89 116.66 132.91 2kjz n ARG 52 Ca 0.10 0.33 0.05 0.00 -1.00 0.00 0.00 57.85 57.32 2kjz n ARG 52 Cb 0.45 -1.58 0.05 0.00 -1.05 0.00 0.00 32.46 30.33 2kjz n ARG 52 CO 0.00 0.00 0.00 1.12 -0.01 0.00 0.00 177.63 178.74 2kjz h HIS 53 N 0.00 0.00 -0.09 2.89 2.07 -1.87 -3.35 115.15 114.79 2kjz h HIS 53 Ca 0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 2kjz h HIS 53 Cb 0.23 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.21 2kjz h HIS 53 CO 0.00 0.35 0.00 -2.37 -3.07 0.00 0.00 177.93 172.84 2kjz n THR 54 N -3.11 0.78 -2.15 6.12 5.66 -0.79 -5.04 114.28 115.74 2kjz n THR 54 Ca 0.01 -0.89 -0.40 0.00 -3.05 0.00 0.00 64.05 59.71 2kjz n THR 54 Cb 0.68 0.62 -0.02 0.00 -1.55 0.00 0.00 70.33 70.07 2kjz n THR 54 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 2kjz s VAL 55 N -0.85 2.80 -0.19 1.08 0.11 -1.04 -5.00 120.40 117.32 2kjz s VAL 55 Ca 0.07 0.79 0.00 0.00 -2.93 0.00 0.00 61.98 59.91 2kjz s VAL 55 Cb 0.04 -3.50 0.04 0.00 -1.53 0.00 0.00 36.38 31.44 2kjz s VAL 55 CO 0.05 0.18 -0.09 -1.61 -3.33 0.00 0.00 175.10 170.30 2kjz s GLU 56 N -1.84 1.86 0.28 1.54 2.02 -1.26 -2.37 118.70 118.94 2kjz s GLU 56 Ca 0.50 -0.77 -0.28 0.00 0.02 0.00 0.00 54.97 54.44 2kjz s GLU 56 Cb -0.38 -2.32 -0.09 0.00 0.10 0.00 0.00 34.13 31.43 2kjz s GLU 56 CO 0.51 -0.43 0.99 -1.25 0.02 0.00 0.00 175.26 175.09 2kjz s PRO 57 N 1.46 4.68 -0.14 0.39 0.04 -1.26 -5.11 135.00 135.06 2kjz s PRO 57 Ca -0.01 1.54 -0.38 0.00 0.04 0.00 0.00 61.00 62.18 2kjz s PRO 57 Cb -0.16 -3.08 -0.15 0.00 0.04 0.00 0.00 34.50 31.14 2kjz s PRO 57 CO -0.08 0.33 1.66 1.63 0.04 0.00 0.00 177.00 180.58 2kjz n LYS 58 N 1.07 1.35 -3.25 4.56 4.76 -1.00 -4.98 118.16 120.67 2kjz n LYS 58 Ca -0.00 0.49 -0.03 0.00 -2.87 0.00 0.00 58.31 55.90 2kjz n LYS 58 Cb 0.47 -2.19 -0.04 0.00 -1.84 0.00 0.00 35.03 31.42 2kjz n LYS 58 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2kjz s ALA 59 N 2.75 -1.67 -1.05 7.82 0.00 -1.26 -5.09 121.76 123.26 2kjz s ALA 59 Ca 0.93 1.31 -0.19 0.00 0.00 0.00 0.00 51.96 54.01 2kjz s ALA 59 Cb -0.97 -1.95 0.10 0.00 0.00 0.00 0.00 23.12 20.31 2kjz s ALA 59 CO 0.58 -1.34 1.37 -1.54 0.00 0.00 0.00 175.76 174.83 2kjz s SER 60 N 2.70 6.68 -0.06 0.00 1.04 -1.26 -4.81 113.70 117.99 2kjz s SER 60 Ca 0.16 -2.05 -0.02 0.00 0.48 0.00 0.00 55.95 54.52 2kjz s SER 60 Cb -0.15 -2.48 0.04 0.00 0.10 0.00 0.00 66.02 63.53 2kjz s SER 60 CO -0.19 -1.18 0.11 0.54 0.98 0.00 0.00 173.24 173.50 2kjz s VAL 61 N 3.48 -0.14 -0.18 5.02 0.11 -1.26 -5.13 120.40 122.30 2kjz s VAL 61 Ca 0.42 0.31 -0.07 0.00 -2.93 0.00 0.00 61.98 59.70 2kjz s VAL 61 Cb -0.02 -0.21 0.08 0.00 -1.53 0.00 0.00 36.38 34.71 2kjz s VAL 61 CO -0.06 0.13 0.40 0.42 -3.33 0.00 0.00 175.10 172.66 2kjz s THR 62 N 1.78 -0.48 0.00 5.04 -4.23 -1.26 -4.86 115.64 111.62 2kjz s THR 62 Ca -0.02 0.16 0.00 0.00 -1.18 0.00 0.00 61.69 60.66 2kjz s THR 62 Cb -0.12 -0.63 0.00 0.00 1.34 0.00 0.00 72.50 73.09 2kjz s THR 62 CO -0.05 0.07 0.00 0.61 -0.54 0.00 0.00 174.62 174.71 2kjz n GLY 63 N 5.12 -0.28 0.33 3.99 0.00 -0.05 -4.87 105.19 109.43 2kjz n GLY 63 Ca -0.12 0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.96 2kjz n GLY 63 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kjz n GLY 64 N 0.00 0.99 4.78 -0.02 0.00 -0.83 -4.98 105.19 105.14 2kjz n GLY 64 Ca 0.00 -1.41 0.00 0.00 0.00 0.00 0.00 46.02 44.61 2kjz n GLY 64 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kjz n GLY 65 N 0.00 1.77 3.30 -0.02 0.00 -1.26 -4.77 105.19 104.21 2kjz n GLY 65 Ca 0.00 -0.05 -0.21 0.00 0.00 0.00 0.00 46.02 45.76 2kjz n GLY 65 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2kjz s GLY 66 N 0.00 1.28 0.25 -0.02 0.00 -1.26 -5.16 107.32 102.41 2kjz s GLY 66 Ca 0.00 -1.40 0.04 0.00 0.00 0.00 0.00 44.72 43.36 2kjz s GLY 66 CO 0.00 -1.45 -0.00 -1.83 0.00 0.00 0.00 173.10 169.82 2kjz s GLU 67 N -2.64 1.41 -0.30 2.90 -1.05 -1.26 -4.19 118.70 113.56 2kjz s GLU 67 Ca 0.12 -1.73 0.02 0.00 -0.15 0.00 0.00 54.97 53.24 2kjz s GLU 67 Cb -0.06 -0.72 0.09 0.00 -0.44 0.00 0.00 34.13 33.01 2kjz s GLU 67 CO 0.05 -0.10 0.04 -1.17 0.95 0.00 0.00 175.26 175.04 2kjz s LEU 68 N -3.35 3.37 -0.42 1.83 2.96 -0.36 -5.00 118.68 117.71 2kjz s LEU 68 Ca 0.30 -1.75 -0.20 0.00 -0.22 0.00 0.00 54.13 52.26 2kjz s LEU 68 Cb 0.06 -1.26 0.02 0.00 0.50 0.00 0.00 46.19 45.51 2kjz s LEU 68 CO 0.10 -0.36 0.61 0.00 -1.32 0.00 0.00 176.35 175.38 2kjz s ALA 69 N 1.26 3.37 -0.31 5.97 0.00 -1.26 -1.16 121.76 129.63 2kjz s ALA 69 Ca 0.07 -1.21 -0.21 0.00 0.00 0.00 0.00 51.96 50.60 2kjz s ALA 69 Cb -0.18 -3.24 -0.00 0.00 0.00 0.00 0.00 23.12 19.69 2kjz s ALA 69 CO -0.14 -1.69 0.69 -0.06 0.00 0.00 0.00 175.76 174.57 2kjz s PHE 70 N 2.70 3.20 -0.14 0.00 0.40 -0.12 -4.97 117.98 119.04 2kjz s PHE 70 Ca 0.21 0.63 -0.15 0.00 -0.60 0.00 0.00 56.93 57.03 2kjz s PHE 70 Cb -0.15 -3.10 -0.05 0.00 0.51 0.00 0.00 43.02 40.24 2kjz s PHE 70 CO 0.18 -0.54 0.33 1.03 0.70 0.00 0.00 175.22 176.92 2kjz s ARG 71 N 2.76 4.24 0.19 0.44 0.52 -1.26 -2.36 118.95 123.48 2kjz s ARG 71 Ca 0.28 0.18 0.04 0.00 -0.52 0.00 0.00 55.73 55.71 2kjz s ARG 71 Cb -0.14 -3.41 -0.05 0.00 0.52 0.00 0.00 34.95 31.86 2kjz s ARG 71 CO 0.13 0.25 -0.06 0.14 0.02 0.00 0.00 175.30 175.78 2kjz s VAL 72 N 0.41 1.16 0.13 3.52 -7.23 -1.16 -5.00 120.40 112.22 2kjz s VAL 72 Ca 0.19 -2.06 -0.14 0.00 -1.81 0.00 0.00 61.98 58.15 2kjz s VAL 72 Cb -0.14 -2.11 -0.02 0.00 0.56 0.00 0.00 36.38 34.68 2kjz s VAL 72 CO 0.06 -0.53 1.58 1.05 -0.31 0.00 0.00 175.10 176.94 2kjz h GLU 73 N 2.61 0.72 -2.98 4.82 4.11 -1.96 -3.42 114.58 118.47 2kjz h GLU 73 Ca -0.38 -0.23 -0.02 0.00 0.07 0.00 0.00 59.36 58.81 2kjz h GLU 73 Cb 1.21 -0.07 0.01 0.00 0.50 0.00 0.00 28.75 30.40 2kjz h GLU 73 CO 0.64 0.80 0.29 0.54 0.07 0.00 0.00 179.01 181.35 2kjz s ASN 74 N -6.21 0.03 0.51 3.06 2.20 -1.26 -4.76 114.94 108.51 2kjz s ASN 74 Ca -0.13 -1.17 0.20 0.00 -0.94 0.00 0.00 52.86 50.82 2kjz s ASN 74 Cb 0.10 0.85 1.29 0.00 -2.00 0.00 0.00 41.25 41.48 2kjz s ASN 74 CO 0.79 -1.69 2.04 -2.24 -2.94 0.00 0.00 177.10 173.07 2kjz h ASP 75 N 2.00 0.07 0.24 3.54 2.03 -1.93 -1.65 116.42 120.72 2kjz h ASP 75 Ca -0.33 0.00 -0.01 0.00 -0.73 0.00 0.00 57.03 55.96 2kjz h ASP 75 Cb 1.25 -0.01 0.00 0.00 -0.83 0.00 0.00 39.33 39.74 2kjz h ASP 75 CO 0.42 0.04 -0.12 0.00 -1.03 0.00 0.00 179.24 178.56 2kjz h ALA 76 N 1.81 -0.32 0.00 4.15 0.00 -2.00 -2.80 119.26 120.10 2kjz h ALA 76 Ca 0.17 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 2kjz h ALA 76 Cb 0.59 0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.50 2kjz h ALA 76 CO -0.01 -0.64 -0.08 1.96 0.00 0.00 0.00 179.25 180.47 2kjz h GLN 77 N -0.40 0.00 -0.24 0.00 1.08 -1.73 -0.76 115.11 113.06 2kjz h GLN 77 Ca -0.03 0.00 -0.04 0.00 -1.45 0.00 0.00 58.65 57.13 2kjz h GLN 77 Cb 0.30 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.73 2kjz h GLN 77 CO 0.05 0.08 -0.00 0.28 -0.95 0.00 0.00 178.83 178.29 2kjz h VAL 78 N 0.00 1.26 0.00 -0.54 2.07 -1.34 -2.80 116.25 114.90 2kjz h VAL 78 Ca -0.00 -0.90 -0.14 0.00 0.82 0.00 0.00 66.70 66.47 2kjz h VAL 78 Cb 0.35 1.38 -0.02 0.00 -1.52 0.00 0.00 31.29 31.48 2kjz h VAL 78 CO 0.01 0.28 -0.68 -0.78 0.02 0.00 0.00 177.57 176.42 2kjz h ASP 79 N 0.20 0.00 -0.12 0.57 1.82 -0.99 -1.89 116.42 116.00 2kjz h ASP 79 Ca 0.07 0.00 -0.01 0.00 -0.39 0.00 0.00 57.03 56.69 2kjz h ASP 79 Cb 0.41 0.00 -0.00 0.00 0.68 0.00 0.00 39.33 40.42 2kjz h ASP 79 CO 0.01 0.68 0.02 -0.33 -1.61 0.00 0.00 179.24 178.01 2kjz h GLU 80 N 0.00 0.20 -0.00 0.28 5.08 -1.23 -2.68 114.58 116.23 2kjz h GLU 80 Ca -0.01 -0.05 -0.09 0.00 -1.00 0.00 0.00 59.36 58.21 2kjz h GLU 80 Cb 1.32 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.53 2kjz h GLU 80 CO 0.09 0.39 -0.41 1.15 -1.00 0.00 0.00 179.01 179.23 2kjz h THR 81 N -0.02 1.30 0.48 1.13 2.02 -1.42 -2.06 112.91 114.34 2kjz h THR 81 Ca 0.04 -1.42 -0.01 0.00 0.77 0.00 0.00 66.41 65.78 2kjz h THR 81 Cb 0.29 1.76 -0.02 0.00 -1.74 0.00 0.00 68.15 68.44 2kjz h THR 81 CO 0.00 0.41 -0.45 0.15 0.37 0.00 0.00 175.52 176.00 2kjz h PHE 82 N 0.01 -1.24 -0.33 3.16 3.04 -1.25 -2.36 116.94 117.96 2kjz h PHE 82 Ca -0.00 0.01 -0.09 0.00 3.98 0.00 0.00 57.97 61.87 2kjz h PHE 82 Cb 0.74 0.48 -0.02 0.00 2.56 0.00 0.00 35.95 39.71 2kjz h PHE 82 CO 0.00 -0.62 -0.16 0.00 -2.02 0.00 0.00 178.31 175.51 2kjz h ALA 83 N -0.68 1.10 -0.51 2.41 0.00 -1.34 -1.09 119.26 119.15 2kjz h ALA 83 Ca -0.05 -0.31 -0.06 0.00 0.00 0.00 0.00 54.91 54.49 2kjz h ALA 83 Cb 0.81 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 2kjz h ALA 83 CO -0.05 0.55 0.09 0.78 0.00 0.00 0.00 179.25 180.62 2kjz h GLY 84 N 0.97 0.90 1.12 0.00 0.00 -1.37 -0.69 103.07 104.00 2kjz h GLY 84 Ca 0.09 -0.59 -0.10 0.00 0.00 0.00 0.00 47.33 46.72 2kjz h GLY 84 CO 0.04 0.55 -0.05 1.49 0.00 0.00 0.00 176.54 178.57 2kjz h TRP 85 N 0.72 1.15 -0.58 5.60 6.55 -1.25 -2.03 115.95 126.10 2kjz h TRP 85 Ca 0.15 -0.21 0.04 0.00 0.95 0.00 0.00 58.89 59.82 2kjz h TRP 85 Cb 0.39 -0.29 -0.05 0.00 -0.86 0.00 0.00 29.16 28.35 2kjz h TRP 85 CO 0.03 1.03 0.32 -0.22 -1.05 0.00 0.00 178.44 178.55 2kjz h LYS 86 N 0.94 0.60 -0.01 0.49 3.64 -1.00 -0.90 116.57 120.33 2kjz h LYS 86 Ca 0.16 -0.04 -0.10 0.00 -1.27 0.00 0.00 60.65 59.40 2kjz h LYS 86 Cb 0.61 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.28 2kjz h LYS 86 CO 0.04 0.40 -0.47 0.00 -2.27 0.00 0.00 179.45 177.14 2kjz h ALA 87 N 1.29 1.19 -0.73 5.00 0.00 -1.02 -3.11 119.26 121.89 2kjz h ALA 87 Ca 0.25 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.73 2kjz h ALA 87 Cb 0.12 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.83 2kjz h ALA 87 CO -0.15 0.60 0.00 0.45 0.00 0.00 0.00 179.25 180.15 2kjz n SER 88 N -3.98 3.92 -1.03 0.00 2.88 -0.77 -4.98 113.62 109.67 2kjz n SER 88 Ca -0.02 -2.00 0.00 0.00 -1.33 0.00 0.00 58.87 55.52 2kjz n SER 88 Cb 0.50 -0.49 0.00 0.00 -0.75 0.00 0.00 64.21 63.47 2kjz n SER 88 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2kjz n GLY 89 N 1.67 0.71 3.84 0.46 0.00 -0.42 -5.02 105.19 106.43 2kjz n GLY 89 Ca 0.24 -0.39 -0.31 0.00 0.00 0.00 0.00 46.02 45.56 2kjz n GLY 89 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kjz s VAL 90 N -2.72 4.96 -0.01 1.61 0.11 -0.77 -4.77 120.40 118.81 2kjz s VAL 90 Ca 0.00 -0.50 -0.22 0.00 -2.93 0.00 0.00 61.98 58.32 2kjz s VAL 90 Cb 0.00 -3.37 -0.14 0.00 -1.53 0.00 0.00 36.38 31.34 2kjz s VAL 90 CO 0.00 0.20 0.99 0.00 -3.33 0.00 0.00 175.10 172.95 2kjz h ALA 91 N 3.43 -0.54 -4.77 1.54 0.00 -1.20 -3.45 119.26 114.28 2kjz h ALA 91 Ca -0.47 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.26 2kjz h ALA 91 Cb 1.17 0.21 0.00 0.00 0.00 0.00 0.00 17.79 19.17 2kjz h ALA 91 CO 0.69 -0.58 -0.49 -0.12 0.00 0.00 0.00 179.25 178.75 2kjz n MET 92 N -5.16 -2.11 -3.69 0.00 0.00 -1.15 -4.85 117.12 100.17 2kjz n MET 92 Ca -0.09 1.92 -0.36 0.00 0.00 0.00 0.00 57.70 59.17 2kjz n MET 92 Cb 0.28 -4.72 -0.08 0.00 0.00 0.00 0.00 33.22 28.69 2kjz n MET 92 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 175.97 175.49 2kjz s LEU 93 N -2.02 5.38 0.00 -0.89 -0.00 -1.26 -4.86 118.68 115.02 2kjz s LEU 93 Ca 0.15 -3.25 0.00 0.00 -0.00 0.00 0.00 54.13 51.03 2kjz s LEU 93 Cb -0.04 -1.87 0.00 0.00 -0.00 0.00 0.00 46.19 44.28 2kjz s LEU 93 CO 0.61 -0.28 0.00 1.67 -0.00 0.00 0.00 176.35 178.35 2kjz n GLN 94 N 2.96 0.00 -2.84 1.48 -0.06 -1.26 -4.94 117.38 112.72 2kjz n GLN 94 Ca 0.14 0.00 -0.42 0.00 -2.00 0.00 0.00 57.00 54.72 2kjz n GLN 94 Cb 0.38 0.00 -0.04 0.00 -4.06 0.00 0.00 30.24 26.52 2kjz n GLN 94 CO 0.00 0.00 0.00 -0.65 -0.20 0.00 0.00 177.06 176.21 2kjz s GLN 95 N -0.32 4.28 -0.35 3.69 -0.21 -1.26 -4.67 119.66 120.81 2kjz s GLN 95 Ca 0.00 1.09 -0.29 0.00 0.02 0.00 0.00 55.36 56.18 2kjz s GLN 95 Cb 0.00 -3.60 -0.07 0.00 1.00 0.00 0.00 33.01 30.34 2kjz s GLN 95 CO 0.00 -0.41 2.30 -2.30 -2.12 0.00 0.00 175.29 172.76 2kjz n PRO 96 N 5.54 1.46 -4.07 2.91 -0.02 -1.26 -4.80 135.00 134.77 2kjz n PRO 96 Ca 0.06 0.31 -0.12 0.00 -2.02 0.00 0.00 63.50 61.73 2kjz n PRO 96 Cb 0.48 -3.12 -0.11 0.00 -0.02 0.00 0.00 33.50 30.73 2kjz n PRO 96 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2kjz s ALA 97 N 9.41 0.57 -0.56 3.55 0.00 -0.45 -4.95 121.76 129.33 2kjz s ALA 97 Ca 1.03 -0.87 -0.27 0.00 0.00 0.00 0.00 51.96 51.85 2kjz s ALA 97 Cb -0.40 0.09 -0.02 0.00 0.00 0.00 0.00 23.12 22.79 2kjz s ALA 97 CO 0.35 -0.10 1.79 0.15 0.00 0.00 0.00 175.76 177.95 2kjz s LYS 98 N -2.10 2.82 0.51 0.00 -0.14 -1.26 -1.36 119.74 118.21 2kjz s LYS 98 Ca -0.06 0.71 0.03 0.00 -1.36 0.00 0.00 55.97 55.29 2kjz s LYS 98 Cb -0.06 -4.32 0.02 0.00 -1.68 0.00 0.00 37.83 31.79 2kjz s LYS 98 CO -0.01 -2.49 0.71 1.41 -0.76 0.00 0.00 175.35 174.20 2kjz s MET 99 N 6.63 2.67 0.33 1.68 -2.45 -0.00 -4.96 119.30 123.20 2kjz s MET 99 Ca 0.67 -0.85 0.12 0.00 -1.25 0.00 0.00 55.69 54.38 2kjz s MET 99 Cb -0.14 -2.56 1.03 0.00 1.25 0.00 0.00 34.83 34.41 2kjz s MET 99 CO 0.23 -0.55 1.64 0.93 1.05 0.00 0.00 175.02 178.31 2kjz h GLU 100 N 0.24 0.21 0.00 4.11 4.39 -1.99 -1.51 114.58 120.03 2kjz h GLU 100 Ca -0.42 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.27 2kjz h GLU 100 Cb 1.29 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.89 2kjz h GLU 100 CO 0.51 0.14 -0.61 0.74 -1.16 0.00 0.00 179.01 178.63 2kjz h PHE 101 N 0.21 0.00 0.00 4.33 0.04 -1.95 -3.46 116.94 116.11 2kjz h PHE 101 Ca 0.71 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.48 2kjz h PHE 101 Cb 1.63 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.78 2kjz h PHE 101 CO -0.10 0.00 0.00 0.41 -0.60 0.00 0.00 178.31 178.02 2kjz n GLY 102 N 1.32 0.60 3.56 -1.45 0.00 -0.57 -1.84 105.19 106.81 2kjz n GLY 102 Ca 0.03 -1.81 -0.41 0.00 0.00 0.00 0.00 46.02 43.84 2kjz n GLY 102 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2kjz s TYR 103 N -2.08 2.16 0.08 1.61 5.04 0.02 -0.82 117.35 123.35 2kjz s TYR 103 Ca 0.00 0.30 0.04 0.00 -2.44 0.00 0.00 57.07 54.97 2kjz s TYR 103 Cb 0.00 -4.44 -0.04 0.00 0.35 0.00 0.00 41.96 37.83 2kjz s TYR 103 CO 0.00 -2.08 0.01 -0.08 -1.34 0.00 0.00 175.55 172.06 2kjz s THR 104 N 6.53 4.13 -0.01 4.34 -1.32 -0.47 -1.08 115.64 127.76 2kjz s THR 104 Ca 0.47 -0.90 -0.07 0.00 -1.21 0.00 0.00 61.69 59.98 2kjz s THR 104 Cb -0.10 -2.96 0.00 0.00 -1.51 0.00 0.00 72.50 67.94 2kjz s THR 104 CO 0.19 0.15 0.13 0.12 -2.21 0.00 0.00 174.62 173.01 2kjz s PHE 105 N -1.30 0.01 -0.01 9.09 5.36 -0.07 -1.34 117.98 129.72 2kjz s PHE 105 Ca 0.26 -0.04 -0.01 0.00 -0.96 0.00 0.00 56.93 56.18 2kjz s PHE 105 Cb -0.12 -0.03 0.01 0.00 -0.34 0.00 0.00 43.02 42.54 2kjz s PHE 105 CO 0.18 -0.24 0.03 0.99 -1.46 0.00 0.00 175.22 174.72 2kjz s THR 106 N -1.09 -0.02 0.46 0.12 2.01 -1.26 -1.07 115.64 114.79 2kjz s THR 106 Ca -0.12 0.07 0.07 0.00 0.31 0.00 0.00 61.69 62.02 2kjz s THR 106 Cb -0.06 -0.06 -0.00 0.00 0.01 0.00 0.00 72.50 72.38 2kjz s THR 106 CO 0.01 0.03 0.38 0.00 -0.69 0.00 0.00 174.62 174.35 2kjz s ALA 107 N 0.36 4.13 -0.15 7.40 0.00 0.05 -4.06 121.76 129.49 2kjz s ALA 107 Ca -0.03 -1.76 -0.03 0.00 0.00 0.00 0.00 51.96 50.15 2kjz s ALA 107 Cb -0.04 -0.86 0.05 0.00 0.00 0.00 0.00 23.12 22.26 2kjz s ALA 107 CO -0.01 -0.31 0.03 0.00 0.00 0.00 0.00 175.76 175.47 2kjz s ALA 108 N -2.58 0.86 0.91 0.00 0.00 -1.26 -1.76 121.76 117.93 2kjz s ALA 108 Ca 0.44 -0.48 -0.12 0.00 0.00 0.00 0.00 51.96 51.79 2kjz s ALA 108 Cb -0.02 -1.03 0.14 0.00 0.00 0.00 0.00 23.12 22.21 2kjz s ALA 108 CO 0.26 -0.94 1.12 0.16 0.00 0.00 0.00 175.76 176.36 2kjz s ASP 109 N 1.92 3.50 0.45 0.00 -4.77 -1.25 -0.67 116.67 115.85 2kjz s ASP 109 Ca 0.01 1.06 0.24 0.00 -3.30 0.00 0.00 52.55 50.57 2kjz s ASP 109 Cb -0.15 -1.68 1.25 0.00 -1.09 0.00 0.00 42.92 41.25 2kjz s ASP 109 CO -0.07 -2.57 1.81 -0.65 0.70 0.00 0.00 175.17 174.39 2kjz h PRO 110 N -1.50 0.25 -0.51 2.11 0.11 -1.97 -0.66 132.00 129.82 2kjz h PRO 110 Ca -0.51 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.59 2kjz h PRO 110 Cb 1.32 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.38 2kjz h PRO 110 CO 0.61 0.16 0.00 -0.25 -0.21 0.00 0.00 178.00 178.31 2kjz n ASP 111 N -4.46 2.69 -3.02 -2.05 9.92 -1.26 -4.97 116.55 113.40 2kjz n ASP 111 Ca 0.24 -2.11 -0.03 0.00 -0.53 0.00 0.00 54.79 52.35 2kjz n ASP 111 Cb 0.95 -0.36 0.00 0.00 -0.64 0.00 0.00 41.12 41.07 2kjz n ASP 111 CO 0.00 0.00 0.00 -1.20 0.13 0.00 0.00 177.20 176.13 2kjz n SER 112 N 0.73 -7.78 -4.44 -2.24 7.64 -0.25 -4.33 113.62 102.95 2kjz n SER 112 Ca 0.15 0.07 -0.24 0.00 1.01 0.00 0.00 58.87 59.86 2kjz n SER 112 Cb 0.47 -5.25 -0.10 0.00 -1.01 0.00 0.00 64.21 58.32 2kjz n SER 112 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 2kjz s HIS 113 N -2.89 2.00 -0.45 1.43 3.76 -1.26 -0.87 115.29 117.01 2kjz s HIS 113 Ca 0.07 -0.98 -0.13 0.00 -0.15 0.00 0.00 55.06 53.87 2kjz s HIS 113 Cb -0.02 -1.36 0.08 0.00 1.11 0.00 0.00 32.58 32.39 2kjz s HIS 113 CO 0.76 0.03 0.35 1.03 -0.85 0.00 0.00 174.74 176.06 2kjz s ARG 114 N -3.83 2.84 -0.53 1.40 1.81 -1.26 -3.91 118.95 115.47 2kjz s ARG 114 Ca 0.31 -1.41 -0.18 0.00 -1.72 0.00 0.00 55.73 52.74 2kjz s ARG 114 Cb 0.07 -4.01 0.09 0.00 -0.45 0.00 0.00 34.95 30.65 2kjz s ARG 114 CO 0.15 -1.01 0.58 -0.51 -0.68 0.00 0.00 175.30 173.82 2kjz s LEU 115 N 1.56 5.49 0.24 2.53 2.01 -0.72 -1.22 118.68 128.56 2kjz s LEU 115 Ca 0.04 -1.35 -0.15 0.00 0.01 0.00 0.00 54.13 52.68 2kjz s LEU 115 Cb -0.24 -2.30 -0.08 0.00 0.01 0.00 0.00 46.19 43.59 2kjz s LEU 115 CO 0.05 -0.90 0.64 -0.13 1.01 0.00 0.00 176.35 177.02 2kjz s ARG 116 N 2.22 4.01 -0.04 1.70 1.81 -0.31 -0.77 118.95 127.57 2kjz s ARG 116 Ca 0.09 0.58 -0.00 0.00 -1.72 0.00 0.00 55.73 54.68 2kjz s ARG 116 Cb -0.24 -2.70 0.03 0.00 -0.45 0.00 0.00 34.95 31.58 2kjz s ARG 116 CO 0.07 0.33 0.01 0.08 -0.68 0.00 0.00 175.30 175.11 2kjz s VAL 117 N -1.71 0.14 0.05 3.52 1.01 -0.23 -0.95 120.40 122.23 2kjz s VAL 117 Ca 0.46 0.15 -0.02 0.00 0.00 0.00 0.00 61.98 62.57 2kjz s VAL 117 Cb -0.13 -0.27 -0.03 0.00 0.00 0.00 0.00 36.38 35.95 2kjz s VAL 117 CO 0.19 0.16 0.00 -0.72 0.00 0.00 0.00 175.10 174.74 2kjz s TYR 118 N 1.30 0.43 -0.26 5.22 1.13 -1.00 -0.90 117.35 123.28 2kjz s TYR 118 Ca -0.06 -0.92 0.02 0.00 -1.41 0.00 0.00 57.07 54.70 2kjz s TYR 118 Cb -0.13 -0.32 0.05 0.00 -1.10 0.00 0.00 41.96 40.47 2kjz s TYR 118 CO -0.02 -0.38 -0.10 0.00 -2.51 0.00 0.00 175.55 172.54 2kjz s ALA 119 N -3.56 2.59 -0.12 9.51 0.00 -0.24 -2.99 121.76 126.95 2kjz s ALA 119 Ca 0.03 -1.71 -0.29 0.00 0.00 0.00 0.00 51.96 49.99 2kjz s ALA 119 Cb 0.05 -1.61 -0.03 0.00 0.00 0.00 0.00 23.12 21.53 2kjz s ALA 119 CO -0.09 -1.12 1.36 0.12 0.00 0.00 0.00 175.76 176.03 2kjz s PHE 120 N 1.15 2.68 -0.77 0.00 5.36 -1.26 -0.80 117.98 124.33 2kjz s PHE 120 Ca -0.07 0.82 -0.16 0.00 -0.96 0.00 0.00 56.93 56.56 2kjz s PHE 120 Cb -0.19 -3.60 0.17 0.00 -0.34 0.00 0.00 43.02 39.05 2kjz s PHE 120 CO -0.05 -2.22 0.80 0.00 -1.46 0.00 0.00 175.22 172.29 2kjz s ALA 121 N 3.41 3.76 0.00 11.12 0.00 -0.77 -4.93 121.76 134.35 2kjz s ALA 121 Ca 0.60 -2.91 0.00 0.00 0.00 0.00 0.00 51.96 49.65 2kjz s ALA 121 Cb -0.25 -3.60 0.00 0.00 0.00 0.00 0.00 23.12 19.26 2kjz s ALA 121 CO 0.20 -2.41 0.00 0.41 0.00 0.00 0.00 175.76 173.96