#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 0.06 -0.33 3.17 2.01 -1.26 -5.14 115.64 114.15 2kjz s THR 2 Ca 0.00 -0.52 -0.01 0.00 0.31 0.00 0.00 61.69 61.47 2kjz s THR 2 Cb 0.00 -0.19 0.11 0.00 0.01 0.00 0.00 72.50 72.43 2kjz s THR 2 CO 0.00 -0.29 0.14 -1.00 -0.69 0.00 0.00 174.62 172.79 2kjz s HIS 3 N -0.86 1.40 -0.86 4.92 0.09 -1.26 -5.08 115.29 113.65 2kjz s HIS 3 Ca -0.09 -1.70 -0.25 0.00 -0.00 0.00 0.00 55.06 53.02 2kjz s HIS 3 Cb -0.06 -1.51 0.01 0.00 -0.00 0.00 0.00 32.58 31.02 2kjz s HIS 3 CO -0.00 -0.85 1.62 -1.25 -0.00 0.00 0.00 174.74 174.26 2kjz s PRO 4 N 1.40 3.06 -0.09 8.40 0.04 -1.26 -4.71 135.00 141.85 2kjz s PRO 4 Ca 0.12 -0.42 0.14 0.00 0.04 0.00 0.00 61.00 60.89 2kjz s PRO 4 Cb -0.19 -4.87 0.46 0.00 0.04 0.00 0.00 34.50 29.94 2kjz s PRO 4 CO -0.19 -2.61 1.38 -0.40 0.04 0.00 0.00 177.00 175.22 2kjz n ASP 5 N 11.04 3.59 -4.08 6.66 5.75 -1.26 -5.02 116.55 133.23 2kjz n ASP 5 Ca 0.27 -2.47 -0.20 0.00 -0.01 0.00 0.00 54.79 52.38 2kjz n ASP 5 Cb 0.50 -0.41 -0.14 0.00 -1.03 0.00 0.00 41.12 40.04 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 -1.85 1.02 -0.04 2.11 2.19 -1.26 -1.12 117.98 119.03 2kjz s PHE 6 Ca 0.35 -0.24 -0.08 0.00 0.33 0.00 0.00 56.93 57.29 2kjz s PHE 6 Cb 0.24 -0.64 0.01 0.00 -1.31 0.00 0.00 43.02 41.32 2kjz s PHE 6 CO 0.14 -0.01 0.18 -0.08 1.83 0.00 0.00 175.22 177.29 2kjz s THR 7 N -0.46 0.04 -0.02 0.12 -1.32 -0.56 -4.97 115.64 108.48 2kjz s THR 7 Ca 0.03 -0.34 0.07 0.00 -1.21 0.00 0.00 61.69 60.24 2kjz s THR 7 Cb -0.05 -0.38 -0.02 0.00 -1.51 0.00 0.00 72.50 70.54 2kjz s THR 7 CO 0.00 -0.19 -0.23 -0.63 -2.21 0.00 0.00 174.62 171.36 2kjz s ILE 8 N -0.66 2.31 -0.25 5.08 1.01 -1.26 -1.59 121.20 125.83 2kjz s ILE 8 Ca -0.08 -1.06 -0.06 0.00 0.00 0.00 0.00 60.65 59.45 2kjz s ILE 8 Cb -0.04 -1.84 -0.01 0.00 0.01 0.00 0.00 42.46 40.57 2kjz s ILE 8 CO 0.01 0.55 0.04 -0.76 0.00 0.00 0.00 174.94 174.78 2kjz s LEU 9 N -0.73 3.39 -0.10 2.97 1.43 -0.40 -4.94 118.68 120.29 2kjz s LEU 9 Ca 0.11 -0.41 -0.30 0.00 -1.03 0.00 0.00 54.13 52.51 2kjz s LEU 9 Cb -0.10 -1.85 -0.03 0.00 0.03 0.00 0.00 46.19 44.24 2kjz s LEU 9 CO -0.00 -0.07 1.27 -0.72 0.23 0.00 0.00 176.35 177.06 2kjz s TYR 10 N 1.54 2.93 0.30 0.29 1.13 -1.26 -2.57 117.35 119.72 2kjz s TYR 10 Ca 0.05 1.02 0.09 0.00 -1.41 0.00 0.00 57.07 56.82 2kjz s TYR 10 Cb -0.15 -3.51 -0.06 0.00 -1.10 0.00 0.00 41.96 37.14 2kjz s TYR 10 CO 0.01 -1.75 -0.11 0.14 -2.51 0.00 0.00 175.55 171.34 2kjz s VAL 11 N 2.93 2.07 -0.25 -3.49 -7.23 -0.45 -4.90 120.40 109.08 2kjz s VAL 11 Ca 0.57 -2.22 -0.16 0.00 -1.81 0.00 0.00 61.98 58.37 2kjz s VAL 11 Cb -0.24 -2.49 -0.12 0.00 0.56 0.00 0.00 36.38 34.09 2kjz s VAL 11 CO 0.19 -0.29 -0.27 -0.67 -0.31 0.00 0.00 175.10 173.75 2kjz n ASP 12 N -0.67 1.94 -4.25 4.85 2.03 -1.26 -0.78 116.55 118.40 2kjz n ASP 12 Ca -0.05 0.36 -0.43 0.00 0.52 0.00 0.00 54.79 55.19 2kjz n ASP 12 Cb 0.63 -0.83 -0.07 0.00 -0.72 0.00 0.00 41.12 40.13 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 -7.05 5.98 0.21 1.67 2.47 -1.26 -4.77 114.94 112.18 2kjz s ASN 13 Ca -0.35 -2.03 -0.12 0.00 0.42 0.00 0.00 52.86 50.78 2kjz s ASN 13 Cb 0.11 -2.09 0.25 0.00 -1.45 0.00 0.00 41.25 38.07 2kjz s ASN 13 CO 0.48 -0.72 1.66 1.55 -3.72 0.00 0.00 177.10 176.35 2kjz h PRO 14 N 8.43 0.08 0.33 0.43 0.13 -1.89 -2.83 132.00 136.68 2kjz h PRO 14 Ca -0.19 -0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.93 2kjz h PRO 14 Cb 1.07 -0.02 -0.02 0.00 0.13 0.00 0.00 31.00 32.17 2kjz h PRO 14 CO 0.90 0.05 -0.34 -1.00 -0.23 0.00 0.00 178.00 177.39 2kjz h PRO 15 N 0.08 -0.64 -0.76 1.56 0.13 -1.95 -2.69 132.00 127.73 2kjz h PRO 15 Ca 0.30 0.04 -0.02 0.00 -0.87 0.00 0.00 66.00 65.45 2kjz h PRO 15 Cb 0.48 0.15 -0.04 0.00 0.13 0.00 0.00 31.00 31.72 2kjz h PRO 15 CO -0.53 -0.43 0.38 0.00 -0.23 0.00 0.00 178.00 177.19 2kjz h ALA 16 N -1.19 1.23 -0.12 -0.56 0.00 -1.99 -1.39 119.26 115.24 2kjz h ALA 16 Ca -0.04 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.70 2kjz h ALA 16 Cb 0.58 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 2kjz h ALA 16 CO -0.04 0.60 -0.01 0.66 0.00 0.00 0.00 179.25 180.45 2kjz h SER 17 N 1.07 0.22 0.41 0.00 4.64 -1.58 -2.83 113.55 115.48 2kjz h SER 17 Ca 0.26 -0.34 -0.22 0.00 -0.47 0.00 0.00 61.79 61.03 2kjz h SER 17 Cb 0.09 -0.06 -0.00 0.00 -0.31 0.00 0.00 62.40 62.12 2kjz h SER 17 CO -0.04 0.51 -0.92 0.74 -0.87 0.00 0.00 176.83 176.25 2kjz h THR 18 N -0.07 1.43 -0.22 2.95 2.02 -1.07 -2.06 112.91 115.87 2kjz h THR 18 Ca 0.03 -2.50 -0.08 0.00 0.77 0.00 0.00 66.41 64.63 2kjz h THR 18 Cb 0.40 2.43 -0.01 0.00 -1.74 0.00 0.00 68.15 69.23 2kjz h THR 18 CO 0.01 0.74 -0.21 1.56 0.37 0.00 0.00 175.52 177.99 2kjz h GLN 19 N 0.19 0.40 -0.42 6.66 1.08 -1.38 0.50 115.11 122.16 2kjz h GLN 19 Ca -0.07 -0.13 -0.08 0.00 -1.45 0.00 0.00 58.65 56.92 2kjz h GLN 19 Cb 1.56 -0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 28.94 2kjz h GLN 19 CO 0.15 0.60 -0.04 0.35 -0.95 0.00 0.00 178.83 178.94 2kjz h PHE 20 N 0.37 0.85 0.00 2.96 3.57 -1.20 -2.77 116.94 120.70 2kjz h PHE 20 Ca 0.06 -0.16 -0.11 0.00 3.53 0.00 0.00 57.97 61.29 2kjz h PHE 20 Cb 0.58 -0.21 -0.02 0.00 2.79 0.00 0.00 35.95 39.09 2kjz h PHE 20 CO 0.02 0.85 -0.51 1.88 -2.23 0.00 0.00 178.31 178.32 2kjz h TYR 21 N 0.59 0.00 -0.23 0.41 0.05 -1.10 -1.59 116.97 115.10 2kjz h TYR 21 Ca 0.11 0.00 0.03 0.00 0.05 0.00 0.00 58.73 58.92 2kjz h TYR 21 Cb 0.54 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 38.26 2kjz h TYR 21 CO 0.04 0.51 0.04 0.87 -1.05 0.00 0.00 178.16 178.57 2kjz h LYS 22 N 0.00 0.13 -0.04 4.88 1.57 -0.66 -1.36 116.57 121.08 2kjz h LYS 22 Ca -0.01 -0.01 -0.21 0.00 -1.87 0.00 0.00 60.65 58.56 2kjz h LYS 22 Cb 0.95 -0.03 -0.00 0.00 0.08 0.00 0.00 32.23 33.23 2kjz h LYS 22 CO 0.07 0.08 -0.84 0.00 -0.57 0.00 0.00 179.45 178.19 2kjz h ALA 23 N 1.17 0.46 -0.04 3.86 0.00 -1.49 0.13 119.26 123.34 2kjz h ALA 23 Ca 0.10 -0.66 -0.05 0.00 0.00 0.00 0.00 54.91 54.30 2kjz h ALA 23 Cb 0.10 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 2kjz h ALA 23 CO -0.14 0.79 -0.20 1.25 0.00 0.00 0.00 179.25 180.95 2kjz h LEU 24 N 0.27 0.06 0.00 0.00 5.85 -1.02 -3.15 115.31 117.32 2kjz h LEU 24 Ca -0.06 -0.01 -0.32 0.00 0.84 0.00 0.00 57.88 58.33 2kjz h LEU 24 Cb 1.46 -0.02 -0.06 0.00 0.37 0.00 0.00 40.66 42.41 2kjz h LEU 24 CO 0.15 0.27 -2.19 0.18 -0.34 0.00 0.00 178.44 176.51 2kjz n LEU 25 N -4.27 2.82 -0.04 2.25 4.77 -0.54 -5.04 117.00 116.96 2kjz n LEU 25 Ca -0.02 -0.07 0.00 0.00 -0.03 0.00 0.00 56.01 55.89 2kjz n LEU 25 Cb 0.28 -0.72 0.00 0.00 -2.33 0.00 0.00 43.42 40.65 2kjz n LEU 25 CO 0.37 0.81 0.00 0.61 -1.33 0.00 0.00 177.39 177.85 2kjz n GLY 26 N 2.41 1.38 2.77 -0.72 0.00 0.26 -5.10 105.19 106.19 2kjz n GLY 26 Ca -0.38 -0.17 -0.24 0.00 0.00 0.00 0.00 46.02 45.24 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 -1.19 0.00 -3.78 1.61 0.24 -0.10 -5.01 118.33 110.10 2kjz n VAL 27 Ca 0.00 -1.87 -0.13 0.00 -2.04 0.00 0.00 64.34 60.30 2kjz n VAL 27 Cb 0.11 0.48 -0.10 0.00 -1.47 0.00 0.00 33.84 32.86 2kjz n VAL 27 CO 0.00 0.00 0.00 1.51 -2.14 0.00 0.00 176.83 176.20 2kjz s ASP 28 N -3.11 -0.20 -0.33 -1.34 -4.77 -1.26 -4.51 116.67 101.15 2kjz s ASP 28 Ca 0.06 0.21 -0.28 0.00 -3.30 0.00 0.00 52.55 49.24 2kjz s ASP 28 Cb 0.00 0.40 -0.04 0.00 -1.09 0.00 0.00 42.92 42.20 2kjz s ASP 28 CO 0.04 -0.33 2.02 -2.84 0.70 0.00 0.00 175.17 174.77 2kjz s PRO 29 N -0.85 3.07 0.24 2.11 0.02 -1.26 -4.68 135.00 133.64 2kjz s PRO 29 Ca -0.09 1.58 -0.05 0.00 0.02 0.00 0.00 61.00 62.46 2kjz s PRO 29 Cb -0.05 -4.32 0.24 0.00 0.02 0.00 0.00 34.50 30.40 2kjz s PRO 29 CO 0.03 -2.17 1.77 -0.24 -0.33 0.00 0.00 177.00 176.06 2kjz h VAL 30 N 7.04 1.25 -3.38 3.83 3.04 -1.50 -3.39 116.25 123.14 2kjz h VAL 30 Ca -0.35 -0.90 -0.66 0.00 -1.01 0.00 0.00 66.70 63.79 2kjz h VAL 30 Cb 1.20 0.57 -0.27 0.00 -2.01 0.00 0.00 31.29 30.78 2kjz h VAL 30 CO 1.03 0.34 -0.72 -1.61 -1.01 0.00 0.00 177.57 175.60 2kjz s GLU 31 N -5.29 3.40 -0.01 4.17 0.41 -0.84 -5.06 118.70 115.49 2kjz s GLU 31 Ca -0.11 -0.62 0.07 0.00 -0.41 0.00 0.00 54.97 53.90 2kjz s GLU 31 Cb 0.15 -2.96 -0.02 0.00 -1.78 0.00 0.00 34.13 29.52 2kjz s GLU 31 CO 0.83 -0.12 -0.24 -1.54 -0.49 0.00 0.00 175.26 173.70 2kjz s SER 32 N 1.28 2.77 0.01 -0.19 1.04 -1.26 -1.30 113.70 116.05 2kjz s SER 32 Ca 0.03 -0.45 -0.02 0.00 0.48 0.00 0.00 55.95 55.99 2kjz s SER 32 Cb -0.14 -0.30 -0.01 0.00 0.10 0.00 0.00 66.02 65.67 2kjz s SER 32 CO -0.02 0.27 0.03 -0.55 0.98 0.00 0.00 173.24 173.95 2kjz s SER 33 N -0.68 0.16 0.60 7.02 0.15 -0.44 -5.03 113.70 115.48 2kjz s SER 33 Ca 0.09 -0.39 0.30 0.00 0.70 0.00 0.00 55.95 56.65 2kjz s SER 33 Cb -0.09 0.13 1.73 0.00 -1.71 0.00 0.00 66.02 66.09 2kjz s SER 33 CO -0.00 -0.32 2.13 1.55 1.20 0.00 0.00 173.24 177.80 2kjz h PRO 34 N 4.55 0.00 0.00 5.44 0.13 -2.03 -2.91 132.00 137.19 2kjz h PRO 34 Ca -0.31 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.82 2kjz h PRO 34 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2kjz h PRO 34 CO 0.41 0.00 0.00 -2.37 -0.23 0.00 0.00 178.00 175.81 2kjz n THR 35 N -3.71 0.55 -3.77 1.56 5.66 -1.26 -4.85 114.28 108.47 2kjz n THR 35 Ca 0.00 -0.58 -0.13 0.00 -3.05 0.00 0.00 64.05 60.30 2kjz n THR 35 Cb 0.28 0.76 -0.09 0.00 -1.55 0.00 0.00 70.33 69.73 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 -0.55 -0.15 0.01 1.09 5.36 -1.10 -2.81 117.98 119.83 2kjz s PHE 36 Ca 0.00 0.20 0.02 0.00 -0.96 0.00 0.00 56.93 56.19 2kjz s PHE 36 Cb 0.00 0.08 -0.01 0.00 -0.34 0.00 0.00 43.02 42.75 2kjz s PHE 36 CO 0.00 -0.40 -0.08 -1.12 -1.46 0.00 0.00 175.22 172.16 2kjz s SER 37 N -1.42 0.92 -0.06 6.13 0.01 -0.35 -1.33 113.70 117.59 2kjz s SER 37 Ca -0.13 -0.27 -0.02 0.00 1.31 0.00 0.00 55.95 56.85 2kjz s SER 37 Cb -0.05 -0.06 0.03 0.00 0.21 0.00 0.00 66.02 66.15 2kjz s SER 37 CO 0.03 0.01 0.04 -0.22 0.41 0.00 0.00 173.24 173.51 2kjz s LEU 38 N -0.63 0.30 0.05 2.44 1.98 -0.42 -1.27 118.68 121.13 2kjz s LEU 38 Ca -0.01 -0.00 0.04 0.00 -2.89 0.00 0.00 54.13 51.27 2kjz s LEU 38 Cb -0.05 -0.24 -0.02 0.00 0.66 0.00 0.00 46.19 46.53 2kjz s LEU 38 CO 0.00 -0.24 -0.12 0.72 -1.89 0.00 0.00 176.35 174.82 2kjz s PHE 39 N 2.10 1.05 -0.04 5.38 -0.12 -0.91 -1.11 117.98 124.33 2kjz s PHE 39 Ca 0.05 -0.41 0.04 0.00 -0.05 0.00 0.00 56.93 56.56 2kjz s PHE 39 Cb -0.12 -0.61 -0.00 0.00 -0.63 0.00 0.00 43.02 41.65 2kjz s PHE 39 CO -0.04 0.01 -0.17 0.54 -0.05 0.00 0.00 175.22 175.52 2kjz s VAL 40 N -1.07 1.40 0.16 -2.49 0.11 -1.26 -1.62 120.40 115.62 2kjz s VAL 40 Ca -0.02 -0.69 -0.04 0.00 -2.93 0.00 0.00 61.98 58.29 2kjz s VAL 40 Cb -0.09 -1.20 -0.05 0.00 -1.53 0.00 0.00 36.38 33.50 2kjz s VAL 40 CO 0.01 0.40 0.40 -0.76 -3.33 0.00 0.00 175.10 171.82 2kjz s LEU 41 N 0.08 4.25 0.00 2.54 1.02 -0.61 -4.98 118.68 120.98 2kjz s LEU 41 Ca -0.05 0.59 0.17 0.00 0.02 0.00 0.00 54.13 54.86 2kjz s LEU 41 Cb -0.12 -3.33 0.76 0.00 0.02 0.00 0.00 46.19 43.52 2kjz s LEU 41 CO 0.02 0.02 1.54 0.00 0.02 0.00 0.00 176.35 177.95 2kjz n ALA 42 N -0.07 1.81 0.57 4.21 0.00 -1.26 -2.03 120.51 123.74 2kjz n ALA 42 Ca -0.02 -0.06 0.08 0.00 0.00 0.00 0.00 53.44 53.43 2kjz n ALA 42 Cb 0.52 -1.28 0.35 0.00 0.00 0.00 0.00 19.45 19.04 2kjz n ALA 42 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2kjz n ASN 43 N -1.46 0.00 0.00 0.00 3.02 -1.26 -4.90 115.26 110.66 2kjz n ASN 43 Ca 0.05 0.43 0.00 0.00 -0.03 0.00 0.00 54.58 55.03 2kjz n ASN 43 Cb 0.19 -0.47 0.00 0.00 -0.61 0.00 0.00 39.78 38.89 2kjz n ASN 43 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2kjz n GLY 44 N 0.11 0.75 3.72 7.41 0.00 -0.86 -5.07 105.19 111.25 2kjz n GLY 44 Ca 0.04 -0.04 -0.24 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.54 2.25 -0.02 1.61 0.23 -1.25 -5.00 119.30 116.57 2kjz s MET 45 Ca 0.00 -1.73 0.02 0.00 -1.03 0.00 0.00 55.69 52.95 2kjz s MET 45 Cb 0.00 -2.04 0.00 0.00 -1.53 0.00 0.00 34.83 31.26 2kjz s MET 45 CO 0.00 -0.01 -0.08 0.21 -2.03 0.00 0.00 175.02 173.10 2kjz s LYS 46 N -3.86 0.86 -0.12 3.16 2.20 -0.28 -1.57 119.74 120.13 2kjz s LYS 46 Ca 0.39 -0.28 0.01 0.00 -0.36 0.00 0.00 55.97 55.73 2kjz s LYS 46 Cb 0.01 -0.82 0.02 0.00 -1.51 0.00 0.00 37.83 35.53 2kjz s LYS 46 CO 0.22 0.12 -0.14 -0.51 -0.36 0.00 0.00 175.35 174.67 2kjz s LEU 47 N 0.14 1.68 -0.01 5.43 1.43 -0.64 -1.50 118.68 125.21 2kjz s LEU 47 Ca -0.02 -0.43 -0.02 0.00 -1.03 0.00 0.00 54.13 52.63 2kjz s LEU 47 Cb -0.07 -1.09 -0.04 0.00 0.03 0.00 0.00 46.19 45.01 2kjz s LEU 47 CO 0.00 -0.01 0.14 -0.83 0.23 0.00 0.00 176.35 175.88 2kjz s GLY 48 N 1.16 2.11 -0.32 -3.19 0.00 -0.62 -2.13 107.32 104.32 2kjz s GLY 48 Ca -0.03 -0.81 0.01 0.00 0.00 0.00 0.00 44.72 43.89 2kjz s GLY 48 CO -0.04 -0.69 0.03 1.08 0.00 0.00 0.00 173.10 173.48 2kjz s LEU 49 N -1.84 4.29 -0.17 0.66 1.02 -0.39 -1.28 118.68 120.98 2kjz s LEU 49 Ca 0.25 -1.71 -0.05 0.00 0.02 0.00 0.00 54.13 52.65 2kjz s LEU 49 Cb -0.12 -1.67 -0.03 0.00 0.02 0.00 0.00 46.19 44.39 2kjz s LEU 49 CO 0.16 -0.33 -0.00 0.86 0.02 0.00 0.00 176.35 177.06 2kjz s TRP 50 N 1.09 3.10 0.10 0.29 -0.00 -1.06 -1.22 118.94 121.24 2kjz s TRP 50 Ca 0.01 -0.18 -0.31 0.00 -0.00 0.00 0.00 56.10 55.62 2kjz s TRP 50 Cb -0.20 -2.00 -0.07 0.00 -0.00 0.00 0.00 33.47 31.20 2kjz s TRP 50 CO -0.05 0.02 1.25 -1.12 -0.00 0.00 0.00 176.95 177.06 2kjz s SER 51 N 0.38 7.01 0.57 5.86 0.01 -1.12 -1.35 113.70 125.06 2kjz s SER 51 Ca -0.02 2.14 0.35 0.00 1.31 0.00 0.00 55.95 59.73 2kjz s SER 51 Cb -0.14 -2.59 1.67 0.00 0.21 0.00 0.00 66.02 65.18 2kjz s SER 51 CO 0.02 -0.51 2.11 0.08 0.41 0.00 0.00 173.24 175.35 2kjz h ARG 52 N 6.55 0.00 -0.00 12.44 0.11 -1.25 -2.00 114.38 130.23 2kjz h ARG 52 Ca -0.42 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.66 2kjz h ARG 52 Cb 1.21 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.29 2kjz h ARG 52 CO 0.82 0.04 -0.04 -2.39 0.10 0.00 0.00 179.97 178.49 2kjz n HIS 53 N -3.23 0.00 -0.36 4.08 1.44 -1.26 -3.34 115.22 112.54 2kjz n HIS 53 Ca -0.01 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.70 2kjz n HIS 53 Cb 0.23 -0.31 0.00 0.00 0.12 0.00 0.00 29.99 30.03 2kjz n HIS 53 CO 0.00 0.00 0.00 -2.37 -2.81 0.00 0.00 176.34 171.16 2kjz n THR 54 N -1.28 0.30 -2.34 0.61 5.66 -0.86 -5.09 114.28 111.27 2kjz n THR 54 Ca 0.12 -0.47 -0.35 0.00 -3.05 0.00 0.00 64.05 60.30 2kjz n THR 54 Cb 0.27 1.05 -0.01 0.00 -1.55 0.00 0.00 70.33 70.09 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 -0.30 3.33 -0.10 1.08 0.11 -0.81 -5.00 120.40 118.72 2kjz s VAL 55 Ca 0.00 0.85 -0.00 0.00 -2.93 0.00 0.00 61.98 59.90 2kjz s VAL 55 Cb 0.00 -3.36 0.02 0.00 -1.53 0.00 0.00 36.38 31.52 2kjz s VAL 55 CO 0.00 -0.15 -0.07 -1.61 -3.33 0.00 0.00 175.10 169.94 2kjz s GLU 56 N -3.17 1.37 0.32 1.54 2.02 -1.26 -2.67 118.70 116.85 2kjz s GLU 56 Ca 0.70 -0.21 -0.28 0.00 0.02 0.00 0.00 54.97 55.20 2kjz s GLU 56 Cb -0.23 -1.44 -0.10 0.00 0.10 0.00 0.00 34.13 32.47 2kjz s GLU 56 CO 0.26 -0.23 1.17 -1.25 0.02 0.00 0.00 175.26 175.22 2kjz s PRO 57 N 1.61 4.42 0.19 0.39 0.04 -1.26 -5.10 135.00 135.29 2kjz s PRO 57 Ca 0.02 1.91 -0.33 0.00 0.04 0.00 0.00 61.00 62.65 2kjz s PRO 57 Cb -0.13 -3.02 -0.14 0.00 0.04 0.00 0.00 34.50 31.25 2kjz s PRO 57 CO -0.06 -0.02 1.51 1.17 0.04 0.00 0.00 177.00 179.63 2kjz n LYS 58 N 0.80 2.10 -3.43 4.56 3.00 -1.09 -5.01 118.16 119.09 2kjz n LYS 58 Ca 0.01 0.75 -0.14 0.00 -0.00 0.00 0.00 58.31 58.92 2kjz n LYS 58 Cb 0.44 -2.48 -0.11 0.00 0.00 0.00 0.00 35.03 32.89 2kjz n LYS 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2kjz s ALA 59 N 0.49 -0.62 -1.07 3.14 0.00 -1.26 -5.09 121.76 117.35 2kjz s ALA 59 Ca 0.74 0.52 -0.20 0.00 0.00 0.00 0.00 51.96 53.01 2kjz s ALA 59 Cb -0.67 -1.48 0.08 0.00 0.00 0.00 0.00 23.12 21.05 2kjz s ALA 59 CO 0.43 -1.25 1.43 -1.12 0.00 0.00 0.00 175.76 175.25 2kjz s SER 60 N 2.42 6.64 -0.11 0.00 0.01 -1.26 -4.76 113.70 116.63 2kjz s SER 60 Ca 0.09 -1.90 -0.10 0.00 1.31 0.00 0.00 55.95 55.35 2kjz s SER 60 Cb -0.16 -2.52 0.03 0.00 0.21 0.00 0.00 66.02 63.59 2kjz s SER 60 CO -0.14 -1.28 0.30 0.68 0.41 0.00 0.00 173.24 173.21 2kjz s VAL 61 N 4.02 -0.00 -0.15 3.43 -7.23 -1.26 -5.17 120.40 114.04 2kjz s VAL 61 Ca 0.44 0.01 -0.11 0.00 -1.81 0.00 0.00 61.98 60.50 2kjz s VAL 61 Cb -0.01 -0.42 0.05 0.00 0.56 0.00 0.00 36.38 36.56 2kjz s VAL 61 CO -0.06 0.00 0.39 0.42 -0.31 0.00 0.00 175.10 175.54 2kjz s THR 62 N 0.21 -0.01 -0.53 5.32 -4.23 -1.26 -4.94 115.64 110.19 2kjz s THR 62 Ca -0.00 0.04 -0.02 0.00 -1.18 0.00 0.00 61.69 60.54 2kjz s THR 62 Cb -0.02 -0.56 0.00 0.00 1.34 0.00 0.00 72.50 73.26 2kjz s THR 62 CO -0.00 0.02 0.21 0.61 -0.54 0.00 0.00 174.62 174.92 2kjz n GLY 63 N 3.49 0.27 1.36 3.99 0.00 -1.08 -4.95 105.19 108.27 2kjz n GLY 63 Ca -0.18 -0.47 0.04 0.00 0.00 0.00 0.00 46.02 45.41 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 -1.01 1.27 0.00 -0.02 0.00 -1.26 -5.03 105.19 99.13 2kjz n GLY 64 Ca -0.04 -0.82 0.00 0.00 0.00 0.00 0.00 46.02 45.16 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 0.34 -0.79 1.75 -0.02 0.00 -1.26 -5.15 105.19 100.06 2kjz n GLY 65 Ca 0.07 -1.48 -0.01 0.00 0.00 0.00 0.00 46.02 44.60 2kjz n GLY 65 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kjz n GLY 66 N -0.28 -4.24 3.20 -0.02 0.00 -1.26 -4.33 105.19 98.26 2kjz n GLY 66 Ca 0.00 -0.02 -0.29 0.00 0.00 0.00 0.00 46.02 45.71 2kjz n GLY 66 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2kjz s GLU 67 N -1.21 2.26 -0.27 1.61 2.02 -1.26 -1.85 118.70 120.01 2kjz s GLU 67 Ca -0.04 -0.76 0.03 0.00 0.02 0.00 0.00 54.97 54.22 2kjz s GLU 67 Cb 0.00 -1.90 0.06 0.00 0.10 0.00 0.00 34.13 32.39 2kjz s GLU 67 CO 0.10 0.29 -0.10 -1.17 0.02 0.00 0.00 175.26 174.40 2kjz s LEU 68 N 0.01 3.53 -0.24 1.80 2.96 -0.88 -4.98 118.68 120.88 2kjz s LEU 68 Ca -0.06 -1.43 -0.17 0.00 -0.22 0.00 0.00 54.13 52.25 2kjz s LEU 68 Cb -0.13 -1.56 -0.03 0.00 0.50 0.00 0.00 46.19 44.96 2kjz s LEU 68 CO 0.04 -0.20 0.48 0.00 -1.32 0.00 0.00 176.35 175.34 2kjz s ALA 69 N 1.10 3.57 -0.42 5.97 0.00 -1.26 -1.34 121.76 129.38 2kjz s ALA 69 Ca -0.08 -0.57 -0.13 0.00 0.00 0.00 0.00 51.96 51.19 2kjz s ALA 69 Cb -0.20 -2.80 0.05 0.00 0.00 0.00 0.00 23.12 20.17 2kjz s ALA 69 CO -0.05 -0.58 0.29 -0.06 0.00 0.00 0.00 175.76 175.36 2kjz s PHE 70 N 1.94 3.26 -0.09 0.00 0.40 0.25 -4.95 117.98 118.80 2kjz s PHE 70 Ca 0.21 -1.00 -0.17 0.00 -0.60 0.00 0.00 56.93 55.36 2kjz s PHE 70 Cb -0.15 -2.77 -0.05 0.00 0.51 0.00 0.00 43.02 40.56 2kjz s PHE 70 CO 0.09 -0.72 0.44 1.03 0.70 0.00 0.00 175.22 176.76 2kjz s ARG 71 N 1.57 4.24 0.20 0.44 0.52 -1.26 -2.39 118.95 122.27 2kjz s ARG 71 Ca 0.03 0.41 0.06 0.00 -0.52 0.00 0.00 55.73 55.71 2kjz s ARG 71 Cb -0.21 -3.38 -0.05 0.00 0.52 0.00 0.00 34.95 31.83 2kjz s ARG 71 CO 0.06 0.30 -0.09 0.14 0.02 0.00 0.00 175.30 175.73 2kjz s VAL 72 N 0.19 1.37 0.16 3.52 -7.23 -1.17 -5.01 120.40 112.23 2kjz s VAL 72 Ca 0.24 -2.11 -0.11 0.00 -1.81 0.00 0.00 61.98 58.20 2kjz s VAL 72 Cb -0.15 -2.10 0.05 0.00 0.56 0.00 0.00 36.38 34.74 2kjz s VAL 72 CO 0.10 -0.55 1.63 1.05 -0.31 0.00 0.00 175.10 177.03 2kjz h GLU 73 N 2.58 0.96 0.00 4.82 4.11 -1.96 -3.43 114.58 121.66 2kjz h GLU 73 Ca -0.38 -0.29 -0.01 0.00 0.07 0.00 0.00 59.36 58.76 2kjz h GLU 73 Cb 1.21 -0.10 0.01 0.00 0.50 0.00 0.00 28.75 30.37 2kjz h GLU 73 CO 0.64 0.95 0.28 0.27 0.07 0.00 0.00 179.01 181.21 2kjz n ASN 74 N -4.29 -2.02 -0.06 3.06 0.23 -1.26 -4.85 115.26 106.08 2kjz n ASN 74 Ca 0.02 -2.37 0.12 0.00 -0.53 0.00 0.00 54.58 51.83 2kjz n ASN 74 Cb 0.31 3.35 0.52 0.00 -2.08 0.00 0.00 39.78 41.88 2kjz n ASN 74 CO 0.00 0.00 0.00 -2.24 -0.93 0.00 0.00 177.26 174.09 2kjz h ASP 75 N 1.77 0.32 -0.25 0.53 2.03 -1.91 -1.97 116.42 116.95 2kjz h ASP 75 Ca -0.30 0.01 -0.04 0.00 -0.73 0.00 0.00 57.03 55.97 2kjz h ASP 75 Cb 1.11 -0.06 -0.01 0.00 -0.83 0.00 0.00 39.33 39.54 2kjz h ASP 75 CO 0.38 0.19 0.00 0.00 -1.03 0.00 0.00 179.24 178.78 2kjz h ALA 76 N 1.71 0.33 0.00 4.15 0.00 -1.98 -2.83 119.26 120.65 2kjz h ALA 76 Ca 0.26 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 2kjz h ALA 76 Cb 0.55 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.25 2kjz h ALA 76 CO -0.07 0.06 -0.09 1.96 0.00 0.00 0.00 179.25 181.12 2kjz h GLN 77 N 0.22 0.00 -0.29 0.00 1.08 -1.79 -1.08 115.11 113.25 2kjz h GLN 77 Ca 0.07 0.00 -0.08 0.00 -1.45 0.00 0.00 58.65 57.19 2kjz h GLN 77 Cb 0.41 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.83 2kjz h GLN 77 CO 0.01 0.09 -0.13 0.28 -0.95 0.00 0.00 178.83 178.14 2kjz h VAL 78 N 0.00 1.29 -0.20 -0.54 2.07 -1.33 -2.62 116.25 114.92 2kjz h VAL 78 Ca -0.00 -1.21 -0.14 0.00 0.82 0.00 0.00 66.70 66.16 2kjz h VAL 78 Cb 0.35 1.47 -0.01 0.00 -1.52 0.00 0.00 31.29 31.58 2kjz h VAL 78 CO 0.01 0.39 -0.48 -0.78 0.02 0.00 0.00 177.57 176.73 2kjz h ASP 79 N 0.35 0.57 -0.57 0.57 3.58 -1.06 -1.31 116.42 118.55 2kjz h ASP 79 Ca 0.07 -0.28 -0.08 0.00 0.42 0.00 0.00 57.03 57.16 2kjz h ASP 79 Cb 0.64 -0.16 -0.02 0.00 1.72 0.00 0.00 39.33 41.51 2kjz h ASP 79 CO 0.04 0.96 0.03 -0.33 -2.88 0.00 0.00 179.24 177.05 2kjz h GLU 80 N 0.42 0.99 -0.70 0.28 5.08 -1.28 -2.20 114.58 117.16 2kjz h GLU 80 Ca 0.02 -0.30 -0.04 0.00 -1.00 0.00 0.00 59.36 58.04 2kjz h GLU 80 Cb 0.99 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 30.12 2kjz h GLU 80 CO 0.09 0.97 0.26 1.15 -1.00 0.00 0.00 179.01 180.48 2kjz h THR 81 N 0.88 1.25 0.61 1.13 2.02 -1.31 -2.40 112.91 115.08 2kjz h THR 81 Ca 0.16 -0.81 -0.02 0.00 0.77 0.00 0.00 66.41 66.52 2kjz h THR 81 Cb 0.51 0.46 -0.01 0.00 -1.74 0.00 0.00 68.15 67.37 2kjz h THR 81 CO 0.02 0.32 -0.40 0.15 0.37 0.00 0.00 175.52 175.99 2kjz h PHE 82 N 1.01 -1.05 -0.72 3.16 3.04 -0.89 -2.07 116.94 119.41 2kjz h PHE 82 Ca 0.23 -0.01 -0.04 0.00 3.98 0.00 0.00 57.97 62.13 2kjz h PHE 82 Cb 0.24 0.38 -0.03 0.00 2.56 0.00 0.00 35.95 39.10 2kjz h PHE 82 CO 0.02 -0.59 0.30 0.00 -2.02 0.00 0.00 178.31 176.02 2kjz h ALA 83 N -0.67 0.93 -0.20 2.41 0.00 -1.45 -1.37 119.26 118.91 2kjz h ALA 83 Ca -0.07 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.64 2kjz h ALA 83 Cb 0.78 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 2kjz h ALA 83 CO 0.06 0.54 0.05 0.78 0.00 0.00 0.00 179.25 180.68 2kjz h GLY 84 N 1.02 0.34 0.96 0.00 0.00 -1.39 -1.59 103.07 102.41 2kjz h GLY 84 Ca 0.24 -0.21 -0.01 0.00 0.00 0.00 0.00 47.33 47.35 2kjz h GLY 84 CO -0.02 0.20 0.20 1.49 0.00 0.00 0.00 176.54 178.41 2kjz h TRP 85 N 0.14 0.57 -0.77 5.60 4.06 -1.31 -1.73 115.95 122.50 2kjz h TRP 85 Ca 0.06 -0.02 0.08 0.00 2.06 0.00 0.00 58.89 61.07 2kjz h TRP 85 Cb 0.26 -0.18 -0.07 0.00 -1.00 0.00 0.00 29.16 28.18 2kjz h TRP 85 CO 0.01 0.46 0.43 -0.22 -3.56 0.00 0.00 178.44 175.56 2kjz h LYS 86 N 0.51 0.73 0.00 0.49 3.64 -1.14 -0.98 116.57 119.81 2kjz h LYS 86 Ca 0.14 -0.04 -0.09 0.00 -1.27 0.00 0.00 60.65 59.38 2kjz h LYS 86 Cb 0.10 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 31.74 2kjz h LYS 86 CO -0.02 0.48 -0.44 0.00 -2.27 0.00 0.00 179.45 177.20 2kjz h ALA 87 N 1.42 0.97 -0.41 5.00 0.00 -1.14 -3.13 119.26 121.97 2kjz h ALA 87 Ca 0.36 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2kjz h ALA 87 Cb 0.30 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.02 2kjz h ALA 87 CO -0.23 0.55 0.00 0.43 0.00 0.00 0.00 179.25 180.00 2kjz n SER 88 N -3.58 2.54 -0.40 0.00 7.64 -0.47 -4.95 113.62 114.41 2kjz n SER 88 Ca -0.00 -1.94 0.00 0.00 1.01 0.00 0.00 58.87 57.94 2kjz n SER 88 Cb 0.55 -0.27 0.00 0.00 -1.01 0.00 0.00 64.21 63.47 2kjz n SER 88 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2kjz n GLY 89 N 1.28 0.71 3.92 0.23 0.00 -0.65 -5.02 105.19 105.66 2kjz n GLY 89 Ca 0.17 -0.30 -0.29 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.26 5.29 -0.04 1.61 0.11 -1.00 -4.74 120.40 119.37 2kjz s VAL 90 Ca 0.00 -0.38 -0.10 0.00 -2.93 0.00 0.00 61.98 58.58 2kjz s VAL 90 Cb 0.00 -3.68 -0.05 0.00 -1.53 0.00 0.00 36.38 31.12 2kjz s VAL 90 CO 0.00 -0.00 0.48 0.00 -3.33 0.00 0.00 175.10 172.24 2kjz h ALA 91 N 2.57 -0.42 -5.10 1.54 0.00 -1.58 -3.44 119.26 112.82 2kjz h ALA 91 Ca -0.47 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.37 2kjz h ALA 91 Cb 1.18 0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.10 2kjz h ALA 91 CO 0.72 -0.40 -0.60 -0.12 0.00 0.00 0.00 179.25 178.85 2kjz n MET 92 N -4.36 -2.54 -3.51 0.00 0.00 -1.22 -4.88 117.12 100.62 2kjz n MET 92 Ca -0.04 2.21 -0.41 0.00 0.00 0.00 0.00 57.70 59.45 2kjz n MET 92 Cb 0.14 -5.35 -0.04 0.00 0.00 0.00 0.00 33.22 27.96 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 -2.24 5.98 0.00 -0.89 -0.00 -1.25 -4.90 118.68 115.38 2kjz s LEU 93 Ca 0.17 -3.25 0.00 0.00 -0.00 0.00 0.00 54.13 51.05 2kjz s LEU 93 Cb -0.05 -2.05 0.00 0.00 -0.00 0.00 0.00 46.19 44.10 2kjz s LEU 93 CO 0.73 -0.35 0.00 1.67 -0.00 0.00 0.00 176.35 178.40 2kjz n GLN 94 N 3.08 0.00 -2.56 1.48 -0.06 -1.25 -4.88 117.38 113.19 2kjz n GLN 94 Ca 0.17 0.00 -0.42 0.00 -2.00 0.00 0.00 57.00 54.75 2kjz n GLN 94 Cb 0.40 0.00 -0.03 0.00 -4.06 0.00 0.00 30.24 26.55 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 -0.52 4.49 -0.73 3.69 -0.21 -1.26 -4.59 119.66 120.54 2kjz s GLN 95 Ca 0.00 1.60 -0.26 0.00 0.02 0.00 0.00 55.36 56.72 2kjz s GLN 95 Cb 0.00 -3.40 -0.03 0.00 1.00 0.00 0.00 33.01 30.58 2kjz s GLN 95 CO 0.00 -0.16 1.85 -1.25 -2.12 0.00 0.00 175.29 173.61 2kjz s PRO 96 N 1.05 2.66 0.14 2.91 0.04 -1.26 -4.62 135.00 135.92 2kjz s PRO 96 Ca 0.55 0.22 0.04 0.00 0.04 0.00 0.00 61.00 61.85 2kjz s PRO 96 Cb -0.25 -4.63 -0.04 0.00 0.04 0.00 0.00 34.50 29.61 2kjz s PRO 96 CO 0.29 -2.90 -0.09 0.00 0.04 0.00 0.00 177.00 174.34 2kjz s ALA 97 N 9.13 1.40 -0.68 8.56 0.00 -0.54 -4.91 121.76 134.72 2kjz s ALA 97 Ca 0.66 -1.49 -0.27 0.00 0.00 0.00 0.00 51.96 50.86 2kjz s ALA 97 Cb -0.10 0.11 0.02 0.00 0.00 0.00 0.00 23.12 23.15 2kjz s ALA 97 CO 0.12 -0.14 1.40 0.21 0.00 0.00 0.00 175.76 177.36 2kjz s LYS 98 N -3.77 3.12 0.53 0.00 2.36 -1.26 -1.69 119.74 119.03 2kjz s LYS 98 Ca 0.17 0.04 0.09 0.00 -2.55 0.00 0.00 55.97 53.72 2kjz s LYS 98 Cb 0.03 -4.20 0.09 0.00 -1.05 0.00 0.00 37.83 32.70 2kjz s LYS 98 CO 0.00 -2.20 0.71 -0.12 1.55 0.00 0.00 175.35 175.29 2kjz n MET 99 N 9.19 0.64 -0.33 4.03 0.00 -0.24 -4.95 117.12 125.46 2kjz n MET 99 Ca 0.08 -2.90 0.10 0.00 -0.00 0.00 0.00 57.70 54.97 2kjz n MET 99 Cb 0.50 -0.18 0.27 0.00 0.00 0.00 0.00 33.22 33.81 2kjz n MET 99 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 175.97 176.90 2kjz h GLU 100 N 0.00 0.72 -0.63 2.12 4.39 -2.02 -2.21 114.58 116.96 2kjz h GLU 100 Ca -0.26 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.40 2kjz h GLU 100 Cb 1.15 -0.16 0.00 0.00 -0.10 0.00 0.00 28.75 29.64 2kjz h GLU 100 CO 0.37 0.48 0.00 1.19 -1.16 0.00 0.00 179.01 179.89 2kjz n PHE 101 N -4.79 1.01 0.00 4.33 3.72 -1.26 -4.93 117.46 115.55 2kjz n PHE 101 Ca 0.20 -0.45 0.00 0.00 -0.05 0.00 0.00 57.45 57.15 2kjz n PHE 101 Cb 0.48 -0.09 0.00 0.00 -0.94 0.00 0.00 39.48 38.94 2kjz n PHE 101 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2kjz n GLY 102 N 1.30 -0.89 3.59 1.37 0.00 -0.83 -3.60 105.19 106.12 2kjz n GLY 102 Ca 0.21 -2.15 -0.43 0.00 0.00 0.00 0.00 46.02 43.66 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 0.00 2.96 0.20 1.61 5.04 -0.43 -1.08 117.35 125.66 2kjz s TYR 103 Ca 0.00 0.68 -0.03 0.00 -2.44 0.00 0.00 57.07 55.28 2kjz s TYR 103 Cb 0.00 -3.97 -0.03 0.00 0.35 0.00 0.00 41.96 38.30 2kjz s TYR 103 CO 0.00 -1.03 0.17 -0.08 -1.34 0.00 0.00 175.55 173.27 2kjz s THR 104 N 3.85 0.02 0.32 4.34 -1.32 -0.68 -0.65 115.64 121.52 2kjz s THR 104 Ca 0.41 -1.89 -0.10 0.00 -1.21 0.00 0.00 61.69 58.91 2kjz s THR 104 Cb -0.10 -2.38 0.02 0.00 -1.51 0.00 0.00 72.50 68.53 2kjz s THR 104 CO 0.24 -0.07 0.57 0.72 -2.21 0.00 0.00 174.62 173.88 2kjz s PHE 105 N -4.12 0.54 -0.03 9.09 -0.12 -0.50 -1.46 117.98 121.38 2kjz s PHE 105 Ca 0.34 -0.94 0.01 0.00 -0.05 0.00 0.00 56.93 56.29 2kjz s PHE 105 Cb 0.06 0.29 0.02 0.00 -0.63 0.00 0.00 43.02 42.76 2kjz s PHE 105 CO 0.10 -1.22 -0.01 0.99 -0.05 0.00 0.00 175.22 175.03 2kjz s THR 106 N -3.19 0.22 0.39 -4.49 2.01 -1.26 -2.02 115.64 107.30 2kjz s THR 106 Ca 0.23 0.04 0.08 0.00 0.31 0.00 0.00 61.69 62.35 2kjz s THR 106 Cb -0.02 -0.30 -0.02 0.00 0.01 0.00 0.00 72.50 72.17 2kjz s THR 106 CO 0.14 0.15 0.39 0.00 -0.69 0.00 0.00 174.62 174.60 2kjz s ALA 107 N 0.91 4.07 -0.16 7.40 0.00 -0.61 -3.75 121.76 129.63 2kjz s ALA 107 Ca -0.10 -1.76 -0.04 0.00 0.00 0.00 0.00 51.96 50.07 2kjz s ALA 107 Cb -0.13 -1.19 0.07 0.00 0.00 0.00 0.00 23.12 21.87 2kjz s ALA 107 CO -0.01 -0.15 0.15 0.00 0.00 0.00 0.00 175.76 175.75 2kjz s ALA 108 N -2.38 0.03 1.16 0.00 0.00 -1.26 -1.93 121.76 117.37 2kjz s ALA 108 Ca 0.47 0.11 -0.17 0.00 0.00 0.00 0.00 51.96 52.37 2kjz s ALA 108 Cb -0.05 -1.09 0.27 0.00 0.00 0.00 0.00 23.12 22.24 2kjz s ALA 108 CO 0.28 -1.04 1.08 0.16 0.00 0.00 0.00 175.76 176.24 2kjz s ASP 109 N 2.24 1.23 0.24 0.00 -4.77 -1.26 -1.53 116.67 112.83 2kjz s ASP 109 Ca 0.04 0.92 -0.07 0.00 -3.30 0.00 0.00 52.55 50.15 2kjz s ASP 109 Cb -0.15 -1.38 0.40 0.00 -1.09 0.00 0.00 42.92 40.70 2kjz s ASP 109 CO -0.09 -3.96 1.35 -2.65 0.70 0.00 0.00 175.17 170.51 2kjz n PRO 110 N -4.69 -0.08 0.01 2.11 -0.02 -1.26 -0.89 135.00 130.18 2kjz n PRO 110 Ca 0.09 1.35 0.12 0.00 -2.02 0.00 0.00 63.50 63.04 2kjz n PRO 110 Cb 0.58 -2.01 0.30 0.00 -0.02 0.00 0.00 33.50 32.35 2kjz n PRO 110 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 2kjz n ASP 111 N -5.40 0.46 -2.10 2.55 9.92 -1.26 -5.02 116.55 115.69 2kjz n ASP 111 Ca 0.14 -0.07 -0.01 0.00 -0.53 0.00 0.00 54.79 54.32 2kjz n ASP 111 Cb 0.44 0.12 -0.01 0.00 -0.64 0.00 0.00 41.12 41.02 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 -1.60 -3.97 -4.30 -2.24 7.64 -0.07 -3.57 113.62 105.52 2kjz n SER 112 Ca 0.05 0.72 -0.25 0.00 1.01 0.00 0.00 58.87 60.41 2kjz n SER 112 Cb 0.35 -3.21 -0.13 0.00 -1.01 0.00 0.00 64.21 60.21 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 -0.70 1.88 -0.87 1.43 3.76 -1.26 -2.63 115.29 116.90 2kjz s HIS 113 Ca -0.04 -0.41 -0.25 0.00 -0.15 0.00 0.00 55.06 54.22 2kjz s HIS 113 Cb 0.00 -1.04 0.05 0.00 1.11 0.00 0.00 32.58 32.70 2kjz s HIS 113 CO 0.40 0.21 1.32 0.50 -0.85 0.00 0.00 174.74 176.33 2kjz s ARG 114 N -1.82 3.38 -0.58 1.40 3.52 -0.77 -4.20 118.95 119.88 2kjz s ARG 114 Ca 0.08 -0.74 -0.20 0.00 -0.13 0.00 0.00 55.73 54.74 2kjz s ARG 114 Cb -0.10 -4.73 0.08 0.00 -1.56 0.00 0.00 34.95 28.64 2kjz s ARG 114 CO 0.04 -2.13 0.75 -0.51 -0.81 0.00 0.00 175.30 172.64 2kjz s LEU 115 N 5.14 5.01 -0.74 -0.88 1.43 -0.81 -2.06 118.68 125.77 2kjz s LEU 115 Ca 0.39 -1.16 -0.19 0.00 -1.03 0.00 0.00 54.13 52.14 2kjz s LEU 115 Cb -0.05 -2.39 0.12 0.00 0.03 0.00 0.00 46.19 43.91 2kjz s LEU 115 CO 0.03 -1.14 0.88 -0.60 0.23 0.00 0.00 176.35 175.75 2kjz s ARG 116 N 3.03 3.30 -0.32 1.70 6.06 -0.45 -1.57 118.95 130.71 2kjz s ARG 116 Ca 0.16 -1.54 -0.15 0.00 -2.50 0.00 0.00 55.73 51.70 2kjz s ARG 116 Cb -0.21 -4.48 -0.02 0.00 0.06 0.00 0.00 34.95 30.30 2kjz s ARG 116 CO 0.09 -1.62 0.34 0.08 -2.50 0.00 0.00 175.30 171.69 2kjz s VAL 117 N 2.55 5.19 0.14 7.11 1.01 -0.86 -0.58 120.40 134.97 2kjz s VAL 117 Ca 0.21 0.19 0.03 0.00 0.00 0.00 0.00 61.98 62.40 2kjz s VAL 117 Cb -0.15 -3.75 -0.04 0.00 0.00 0.00 0.00 36.38 32.43 2kjz s VAL 117 CO -0.00 0.01 -0.05 -0.72 0.00 0.00 0.00 175.10 174.34 2kjz s TYR 118 N 1.99 1.15 -0.22 5.22 1.13 -1.01 -1.41 117.35 124.20 2kjz s TYR 118 Ca 0.12 -0.89 0.01 0.00 -1.41 0.00 0.00 57.07 54.90 2kjz s TYR 118 Cb -0.16 -0.63 0.05 0.00 -1.10 0.00 0.00 41.96 40.12 2kjz s TYR 118 CO 0.11 -0.08 -0.07 0.00 -2.51 0.00 0.00 175.55 173.00 2kjz s ALA 119 N -3.52 2.02 -0.03 9.51 0.00 0.18 -3.05 121.76 126.86 2kjz s ALA 119 Ca 0.18 -1.34 -0.30 0.00 0.00 0.00 0.00 51.96 50.50 2kjz s ALA 119 Cb 0.05 -1.40 -0.03 0.00 0.00 0.00 0.00 23.12 21.74 2kjz s ALA 119 CO 0.00 -1.07 1.10 0.12 0.00 0.00 0.00 175.76 175.91 2kjz s PHE 120 N 1.37 3.43 -0.85 0.00 5.36 -1.25 -1.31 117.98 124.73 2kjz s PHE 120 Ca -0.05 1.45 -0.22 0.00 -0.96 0.00 0.00 56.93 57.14 2kjz s PHE 120 Cb -0.18 -3.29 0.07 0.00 -0.34 0.00 0.00 43.02 39.28 2kjz s PHE 120 CO -0.07 -0.71 1.20 0.00 -1.46 0.00 0.00 175.22 174.18 2kjz s ALA 121 N 1.66 3.01 0.00 11.12 0.00 -1.24 -4.95 121.76 131.36 2kjz s ALA 121 Ca 0.53 -2.14 0.00 0.00 0.00 0.00 0.00 51.96 50.35 2kjz s ALA 121 Cb -0.23 -4.17 0.00 0.00 0.00 0.00 0.00 23.12 18.72 2kjz s ALA 121 CO 0.24 -3.16 0.00 0.41 0.00 0.00 0.00 175.76 173.24