#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 5.09 -0.39 3.17 2.01 -1.26 -5.07 115.64 119.20 2kjz s THR 2 Ca 0.00 0.97 -0.17 0.00 0.31 0.00 0.00 61.69 62.80 2kjz s THR 2 Cb 0.00 -3.81 0.01 0.00 0.01 0.00 0.00 72.50 68.71 2kjz s THR 2 CO 0.00 0.41 0.42 -1.00 -0.69 0.00 0.00 174.62 173.76 2kjz s HIS 3 N 0.03 3.18 -0.80 4.92 0.09 -1.26 -5.04 115.29 116.41 2kjz s HIS 3 Ca 0.26 -0.22 -0.20 0.00 -0.00 0.00 0.00 55.06 54.89 2kjz s HIS 3 Cb -0.16 -2.82 0.10 0.00 -0.00 0.00 0.00 32.58 29.70 2kjz s HIS 3 CO 0.12 -0.60 1.04 -1.25 -0.00 0.00 0.00 174.74 174.05 2kjz s PRO 4 N 2.11 3.36 -0.13 8.40 0.04 -1.26 -4.83 135.00 142.69 2kjz s PRO 4 Ca 0.12 -1.33 0.14 0.00 0.04 0.00 0.00 61.00 59.97 2kjz s PRO 4 Cb -0.17 -4.60 0.64 0.00 0.04 0.00 0.00 34.50 30.41 2kjz s PRO 4 CO 0.13 -1.79 1.52 -0.40 0.04 0.00 0.00 177.00 176.50 2kjz n ASP 5 N 7.08 4.43 -4.02 6.66 5.75 -1.26 -4.90 116.55 130.29 2kjz n ASP 5 Ca 0.11 -2.52 -0.23 0.00 -0.01 0.00 0.00 54.79 52.13 2kjz n ASP 5 Cb 0.47 -0.58 -0.16 0.00 -1.03 0.00 0.00 41.12 39.82 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 -2.05 1.31 0.01 2.11 5.36 -1.26 -0.71 117.98 122.76 2kjz s PHE 6 Ca 0.44 -0.44 0.03 0.00 -0.96 0.00 0.00 56.93 56.01 2kjz s PHE 6 Cb 0.30 -0.96 -0.01 0.00 -0.34 0.00 0.00 43.02 42.01 2kjz s PHE 6 CO 0.18 -0.22 -0.10 -0.08 -1.46 0.00 0.00 175.22 173.54 2kjz s THR 7 N 0.54 0.80 -0.02 0.12 -1.32 -0.72 -4.99 115.64 110.05 2kjz s THR 7 Ca -0.11 -0.65 0.06 0.00 -1.21 0.00 0.00 61.69 59.78 2kjz s THR 7 Cb -0.14 -0.71 -0.01 0.00 -1.51 0.00 0.00 72.50 70.12 2kjz s THR 7 CO 0.03 0.07 -0.21 -0.63 -2.21 0.00 0.00 174.62 171.67 2kjz s ILE 8 N -0.55 1.64 -0.00 5.08 1.01 -1.26 -1.32 121.20 125.79 2kjz s ILE 8 Ca 0.01 -0.88 0.04 0.00 0.00 0.00 0.00 60.65 59.82 2kjz s ILE 8 Cb -0.06 -1.37 -0.03 0.00 0.01 0.00 0.00 42.46 41.01 2kjz s ILE 8 CO 0.00 0.46 -0.09 -0.76 0.00 0.00 0.00 174.94 174.55 2kjz s LEU 9 N -0.40 3.04 -0.56 2.97 2.01 -0.90 -4.97 118.68 119.86 2kjz s LEU 9 Ca 0.06 -0.18 -0.28 0.00 0.01 0.00 0.00 54.13 53.74 2kjz s LEU 9 Cb -0.09 -1.73 0.03 0.00 0.01 0.00 0.00 46.19 44.41 2kjz s LEU 9 CO -0.00 0.29 1.14 -0.31 1.01 0.00 0.00 176.35 178.48 2kjz s TYR 10 N -0.94 2.66 0.07 0.29 1.51 -1.26 -1.94 117.35 117.74 2kjz s TYR 10 Ca 0.16 0.37 0.04 0.00 -1.01 0.00 0.00 57.07 56.62 2kjz s TYR 10 Cb -0.11 -4.43 -0.04 0.00 -0.11 0.00 0.00 41.96 37.27 2kjz s TYR 10 CO 0.06 -1.52 0.03 0.14 -1.11 0.00 0.00 175.55 173.16 2kjz s VAL 11 N 4.73 4.26 -0.24 0.71 -7.23 -0.62 -4.86 120.40 117.15 2kjz s VAL 11 Ca 0.41 -0.85 -0.16 0.00 -1.81 0.00 0.00 61.98 59.57 2kjz s VAL 11 Cb -0.08 -3.02 -0.12 0.00 0.56 0.00 0.00 36.38 33.71 2kjz s VAL 11 CO 0.25 0.15 -0.22 -0.67 -0.31 0.00 0.00 175.10 174.31 2kjz n ASP 12 N 0.62 1.92 -4.30 4.85 2.03 -1.26 -1.58 116.55 118.83 2kjz n ASP 12 Ca -0.10 0.38 -0.45 0.00 0.52 0.00 0.00 54.79 55.13 2kjz n ASP 12 Cb 0.52 -0.84 -0.06 0.00 -0.72 0.00 0.00 41.12 40.02 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 -7.01 6.10 0.13 1.67 2.47 -1.26 -4.81 114.94 112.24 2kjz s ASN 13 Ca -0.34 -1.76 -0.23 0.00 0.42 0.00 0.00 52.86 50.95 2kjz s ASN 13 Cb 0.10 -2.17 -0.01 0.00 -1.45 0.00 0.00 41.25 37.72 2kjz s ASN 13 CO 0.49 -0.81 1.65 -0.65 -3.72 0.00 0.00 177.10 174.06 2kjz h PRO 14 N 8.80 -0.24 -0.07 0.43 0.11 -1.88 -2.33 132.00 136.82 2kjz h PRO 14 Ca -0.28 0.02 0.03 0.00 0.11 0.00 0.00 66.00 65.87 2kjz h PRO 14 Cb 1.10 0.06 -0.03 0.00 0.11 0.00 0.00 31.00 32.23 2kjz h PRO 14 CO 0.99 -0.16 -0.10 -1.35 -0.21 0.00 0.00 178.00 177.17 2kjz h PRO 15 N -0.25 -0.13 0.07 1.05 0.11 -1.96 -2.56 132.00 128.32 2kjz h PRO 15 Ca 0.10 0.01 -0.27 0.00 0.11 0.00 0.00 66.00 65.95 2kjz h PRO 15 Cb 0.40 0.03 0.02 0.00 0.11 0.00 0.00 31.00 31.55 2kjz h PRO 15 CO -0.28 -0.08 -1.12 0.00 -0.21 0.00 0.00 178.00 176.31 2kjz h ALA 16 N 0.91 0.14 0.00 -0.75 0.00 -1.99 -2.88 119.26 114.69 2kjz h ALA 16 Ca 0.06 -0.76 -0.18 0.00 0.00 0.00 0.00 54.91 54.03 2kjz h ALA 16 Cb 0.22 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 2kjz h ALA 16 CO -0.15 0.76 -0.87 1.03 0.00 0.00 0.00 179.25 180.03 2kjz h SER 17 N 0.26 0.00 -0.12 0.00 0.87 -1.45 -0.94 113.55 112.16 2kjz h SER 17 Ca -0.14 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.41 2kjz h SER 17 Cb 1.79 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 63.74 2kjz h SER 17 CO 0.21 0.87 0.02 0.74 -0.53 0.00 0.00 176.83 178.14 2kjz h THR 18 N 0.00 1.21 -0.10 2.23 2.02 -1.45 -2.65 112.91 114.16 2kjz h THR 18 Ca -0.01 -0.66 -0.07 0.00 0.77 0.00 0.00 66.41 66.44 2kjz h THR 18 Cb 1.61 1.42 -0.01 0.00 -1.74 0.00 0.00 68.15 69.43 2kjz h THR 18 CO 0.11 0.19 -0.27 1.56 0.37 0.00 0.00 175.52 177.49 2kjz h GLN 19 N -0.02 0.18 -0.09 6.66 1.08 -1.47 -1.86 115.11 119.59 2kjz h GLN 19 Ca 0.04 -0.06 -0.00 0.00 -1.45 0.00 0.00 58.65 57.17 2kjz h GLN 19 Cb 0.28 -0.02 -0.00 0.00 -0.05 0.00 0.00 27.48 27.69 2kjz h GLN 19 CO 0.00 0.44 0.04 0.35 -0.95 0.00 0.00 178.83 178.71 2kjz h PHE 20 N 0.16 0.13 0.00 2.96 3.57 -1.06 -2.55 116.94 120.15 2kjz h PHE 20 Ca 0.03 -0.01 -0.11 0.00 3.53 0.00 0.00 57.97 61.40 2kjz h PHE 20 Cb 0.57 -0.04 -0.02 0.00 2.79 0.00 0.00 35.95 39.25 2kjz h PHE 20 CO 0.01 0.23 -0.54 1.88 -2.23 0.00 0.00 178.31 177.66 2kjz h TYR 21 N -0.01 0.00 -0.55 0.41 0.05 -1.38 -1.36 116.97 114.15 2kjz h TYR 21 Ca 0.03 0.00 0.06 0.00 0.05 0.00 0.00 58.73 58.87 2kjz h TYR 21 Cb 0.15 0.00 -0.05 0.00 1.01 0.00 0.00 36.73 37.84 2kjz h TYR 21 CO -0.02 0.54 0.26 0.87 -1.05 0.00 0.00 178.16 178.75 2kjz h LYS 22 N 0.00 0.47 0.07 4.88 1.57 -0.95 -1.54 116.57 121.07 2kjz h LYS 22 Ca -0.01 -0.03 -0.22 0.00 -1.87 0.00 0.00 60.65 58.53 2kjz h LYS 22 Cb 1.00 -0.11 0.02 0.00 0.08 0.00 0.00 32.23 33.23 2kjz h LYS 22 CO 0.07 0.31 -0.90 0.00 -0.57 0.00 0.00 179.45 178.36 2kjz h ALA 23 N 1.32 0.01 -0.44 3.86 0.00 -1.47 -0.75 119.26 121.79 2kjz h ALA 23 Ca 0.25 -0.68 0.03 0.00 0.00 0.00 0.00 54.91 54.52 2kjz h ALA 23 Cb 0.20 0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.04 2kjz h ALA 23 CO -0.20 0.50 0.22 1.25 0.00 0.00 0.00 179.25 181.02 2kjz h LEU 24 N 0.01 0.33 0.04 0.00 5.85 -1.01 -2.93 115.31 117.60 2kjz h LEU 24 Ca -0.13 0.02 -0.20 0.00 0.84 0.00 0.00 57.88 58.41 2kjz h LEU 24 Cb 1.62 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 42.59 2kjz h LEU 24 CO 0.17 0.24 -1.05 -0.07 -0.34 0.00 0.00 178.44 177.39 2kjz h LEU 25 N 0.45 0.14 0.00 2.25 3.38 -1.47 -3.49 115.31 116.56 2kjz h LEU 25 Ca 0.19 -0.74 0.00 0.00 0.09 0.00 0.00 57.88 57.41 2kjz h LEU 25 Cb 0.08 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.79 2kjz h LEU 25 CO -0.12 1.44 0.00 0.61 0.09 0.00 0.00 178.44 180.45 2kjz n GLY 26 N 1.59 1.62 3.63 0.83 0.00 -0.65 -5.10 105.19 107.11 2kjz n GLY 26 Ca -0.25 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.49 2kjz n GLY 26 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2kjz s VAL 27 N -2.00 1.68 0.06 1.61 -7.23 -0.38 -5.00 120.40 109.14 2kjz s VAL 27 Ca 0.00 -2.00 0.07 0.00 -1.81 0.00 0.00 61.98 58.24 2kjz s VAL 27 Cb 0.00 -2.76 -0.03 0.00 0.56 0.00 0.00 36.38 34.15 2kjz s VAL 27 CO 0.00 0.00 -0.20 1.51 -0.31 0.00 0.00 175.10 176.10 2kjz s ASP 28 N -3.72 2.43 -0.09 4.85 -4.77 -1.26 -4.44 116.67 109.67 2kjz s ASP 28 Ca 0.28 -0.58 -0.30 0.00 -3.30 0.00 0.00 52.55 48.66 2kjz s ASP 28 Cb 0.08 -0.17 -0.04 0.00 -1.09 0.00 0.00 42.92 41.70 2kjz s ASP 28 CO 0.14 0.11 1.44 -2.16 0.70 0.00 0.00 175.17 175.40 2kjz s PRO 29 N -1.43 4.22 0.11 2.11 0.04 -1.26 -4.62 135.00 134.17 2kjz s PRO 29 Ca 0.07 1.92 -0.16 0.00 0.04 0.00 0.00 61.00 62.87 2kjz s PRO 29 Cb -0.09 -3.81 -0.05 0.00 0.04 0.00 0.00 34.50 30.59 2kjz s PRO 29 CO 0.03 -0.73 1.53 -0.24 0.04 0.00 0.00 177.00 177.63 2kjz h VAL 30 N 5.41 1.27 -3.78 -0.36 3.04 -0.87 -3.40 116.25 117.55 2kjz h VAL 30 Ca -0.34 -1.05 -0.66 0.00 -1.01 0.00 0.00 66.70 63.65 2kjz h VAL 30 Cb 1.15 1.26 -0.38 0.00 -2.01 0.00 0.00 31.29 31.31 2kjz h VAL 30 CO 0.95 0.34 -0.78 -1.61 -1.01 0.00 0.00 177.57 175.47 2kjz s GLU 31 N -4.90 1.95 0.01 4.17 0.41 -0.95 -5.04 118.70 114.36 2kjz s GLU 31 Ca -0.13 -1.44 0.04 0.00 -0.41 0.00 0.00 54.97 53.02 2kjz s GLU 31 Cb 0.09 -2.92 -0.03 0.00 -1.78 0.00 0.00 34.13 29.48 2kjz s GLU 31 CO 0.78 -0.68 -0.07 -1.54 -0.49 0.00 0.00 175.26 173.27 2kjz s SER 32 N 1.09 4.61 0.04 -0.19 1.04 -1.26 -0.77 113.70 118.26 2kjz s SER 32 Ca -0.03 -0.17 -0.03 0.00 0.48 0.00 0.00 55.95 56.20 2kjz s SER 32 Cb -0.20 -1.06 -0.02 0.00 0.10 0.00 0.00 66.02 64.85 2kjz s SER 32 CO -0.06 0.27 0.04 -0.44 0.98 0.00 0.00 173.24 174.03 2kjz s SER 33 N -1.51 0.28 0.01 7.02 0.01 -0.10 -5.00 113.70 114.40 2kjz s SER 33 Ca 0.18 -0.67 0.11 0.00 1.31 0.00 0.00 55.95 56.87 2kjz s SER 33 Cb -0.11 0.20 0.45 0.00 0.21 0.00 0.00 66.02 66.77 2kjz s SER 33 CO 0.08 -0.50 1.34 -0.81 0.41 0.00 0.00 173.24 173.76 2kjz n PRO 34 N 0.70 0.01 0.00 12.44 -0.04 -1.26 -2.83 135.00 144.02 2kjz n PRO 34 Ca -0.18 0.33 0.00 0.00 -0.04 0.00 0.00 63.50 63.61 2kjz n PRO 34 Cb 0.59 -1.52 0.00 0.00 -0.04 0.00 0.00 33.50 32.53 2kjz n PRO 34 CO 0.00 0.00 0.00 -2.37 -0.04 0.00 0.00 175.50 173.09 2kjz n THR 35 N -1.53 0.28 -3.56 0.52 5.66 -1.26 -4.79 114.28 109.61 2kjz n THR 35 Ca 0.02 -0.41 -0.14 0.00 -3.05 0.00 0.00 64.05 60.47 2kjz n THR 35 Cb 0.12 1.08 -0.05 0.00 -1.55 0.00 0.00 70.33 69.93 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 -0.28 -0.45 -0.01 1.09 5.36 -1.13 -2.68 117.98 119.88 2kjz s PHE 36 Ca 0.00 0.51 -0.01 0.00 -0.96 0.00 0.00 56.93 56.47 2kjz s PHE 36 Cb 0.00 0.37 0.00 0.00 -0.34 0.00 0.00 43.02 43.05 2kjz s PHE 36 CO 0.00 -0.66 0.03 -1.12 -1.46 0.00 0.00 175.22 172.01 2kjz s SER 37 N -1.98 -0.03 -0.09 6.13 0.01 -0.33 -0.93 113.70 116.48 2kjz s SER 37 Ca -0.05 0.06 -0.00 0.00 1.31 0.00 0.00 55.95 57.27 2kjz s SER 37 Cb -0.01 0.06 0.02 0.00 0.21 0.00 0.00 66.02 66.31 2kjz s SER 37 CO -0.02 -0.01 -0.05 -0.22 0.41 0.00 0.00 173.24 173.35 2kjz s LEU 38 N 0.03 1.03 0.05 2.44 2.96 0.05 -1.13 118.68 124.11 2kjz s LEU 38 Ca -0.00 -0.22 0.03 0.00 -0.22 0.00 0.00 54.13 53.72 2kjz s LEU 38 Cb -0.00 -0.69 -0.03 0.00 0.50 0.00 0.00 46.19 45.97 2kjz s LEU 38 CO 0.00 -0.13 -0.10 0.72 -1.32 0.00 0.00 176.35 175.52 2kjz s PHE 39 N 1.70 0.85 -0.05 5.38 -0.12 -0.81 -0.10 117.98 124.83 2kjz s PHE 39 Ca 0.03 -0.50 0.04 0.00 -0.05 0.00 0.00 56.93 56.45 2kjz s PHE 39 Cb -0.13 -0.50 0.00 0.00 -0.63 0.00 0.00 43.02 41.77 2kjz s PHE 39 CO -0.06 -0.04 -0.16 0.08 -0.05 0.00 0.00 175.22 174.99 2kjz s VAL 40 N -1.42 1.38 0.01 -2.49 1.01 -1.26 -1.41 120.40 116.22 2kjz s VAL 40 Ca -0.07 -0.67 -0.06 0.00 0.00 0.00 0.00 61.98 61.18 2kjz s VAL 40 Cb -0.10 -1.20 -0.05 0.00 0.00 0.00 0.00 36.38 35.04 2kjz s VAL 40 CO 0.01 0.40 0.26 -0.76 0.00 0.00 0.00 175.10 175.01 2kjz s LEU 41 N 0.19 4.37 0.04 3.92 1.02 -0.80 -4.98 118.68 122.45 2kjz s LEU 41 Ca -0.07 0.54 0.10 0.00 0.02 0.00 0.00 54.13 54.72 2kjz s LEU 41 Cb -0.13 -2.67 0.43 0.00 0.02 0.00 0.00 46.19 43.85 2kjz s LEU 41 CO 0.03 0.25 1.31 0.00 0.02 0.00 0.00 176.35 177.96 2kjz n ALA 42 N 1.10 1.35 0.28 4.21 0.00 -1.26 -2.25 120.51 123.94 2kjz n ALA 42 Ca -0.11 -0.00 0.16 0.00 0.00 0.00 0.00 53.44 53.48 2kjz n ALA 42 Cb 0.53 -1.16 0.79 0.00 0.00 0.00 0.00 19.45 19.61 2kjz n ALA 42 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 2kjz h ASN 43 N 0.00 0.00 0.00 0.00 4.21 -2.05 -3.46 115.58 114.28 2kjz h ASN 43 Ca 0.00 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.51 2kjz h ASN 43 Cb 0.14 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.34 2kjz h ASN 43 CO 0.00 0.07 0.00 0.61 -1.29 0.00 0.00 177.43 176.82 2kjz n GLY 44 N -0.48 1.19 3.72 2.83 0.00 -0.95 -5.12 105.19 106.37 2kjz n GLY 44 Ca -0.01 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.22 2.15 -0.02 1.61 0.23 -1.23 -4.98 119.30 116.84 2kjz s MET 45 Ca 0.00 -2.02 -0.04 0.00 -1.03 0.00 0.00 55.69 52.61 2kjz s MET 45 Cb 0.00 -1.83 0.00 0.00 -1.53 0.00 0.00 34.83 31.48 2kjz s MET 45 CO 0.00 -0.17 0.09 0.21 -2.03 0.00 0.00 175.02 173.12 2kjz s LYS 46 N -3.87 0.21 -0.07 3.16 2.20 0.11 -1.90 119.74 119.58 2kjz s LYS 46 Ca 0.34 -0.05 -0.03 0.00 -0.36 0.00 0.00 55.97 55.87 2kjz s LYS 46 Cb 0.05 0.09 0.04 0.00 -1.51 0.00 0.00 37.83 36.50 2kjz s LYS 46 CO 0.18 -0.04 0.12 -1.17 -0.36 0.00 0.00 175.35 174.09 2kjz s LEU 47 N -0.41 0.18 0.11 5.43 0.20 -0.50 -1.75 118.68 121.94 2kjz s LEU 47 Ca -0.05 0.24 0.03 0.00 0.69 0.00 0.00 54.13 55.05 2kjz s LEU 47 Cb -0.03 0.16 -0.04 0.00 -0.43 0.00 0.00 46.19 45.85 2kjz s LEU 47 CO 0.00 -0.22 0.13 -0.83 -0.29 0.00 0.00 176.35 175.14 2kjz s GLY 48 N 2.01 1.92 -0.29 7.98 0.00 -0.44 -1.93 107.32 116.58 2kjz s GLY 48 Ca 0.01 -1.05 0.00 0.00 0.00 0.00 0.00 44.72 43.68 2kjz s GLY 48 CO -0.05 -1.04 -0.04 1.08 0.00 0.00 0.00 173.10 173.05 2kjz s LEU 49 N -2.70 3.76 -0.23 0.66 1.43 -0.28 -2.13 118.68 119.19 2kjz s LEU 49 Ca 0.31 -1.35 -0.08 0.00 -1.03 0.00 0.00 54.13 51.98 2kjz s LEU 49 Cb -0.12 -1.65 -0.04 0.00 0.03 0.00 0.00 46.19 44.42 2kjz s LEU 49 CO 0.24 -0.24 0.09 0.86 0.23 0.00 0.00 176.35 177.53 2kjz s TRP 50 N 1.18 3.18 -0.23 0.29 -0.11 -0.82 -1.19 118.94 121.25 2kjz s TRP 50 Ca -0.06 -0.10 -0.29 0.00 1.22 0.00 0.00 56.10 56.87 2kjz s TRP 50 Cb -0.20 -2.20 -0.02 0.00 -1.50 0.00 0.00 33.47 29.56 2kjz s TRP 50 CO -0.03 -0.10 1.46 -1.12 -4.62 0.00 0.00 176.95 172.54 2kjz s SER 51 N 1.11 6.58 0.00 5.86 0.01 -1.09 -1.59 113.70 124.57 2kjz s SER 51 Ca 0.05 1.51 0.07 0.00 1.31 0.00 0.00 55.95 58.89 2kjz s SER 51 Cb -0.14 -2.54 0.32 0.00 0.21 0.00 0.00 66.02 63.87 2kjz s SER 51 CO 0.04 -1.11 1.18 -2.11 0.41 0.00 0.00 173.24 171.64 2kjz n ARG 52 N 7.37 0.03 0.00 12.44 1.85 -0.61 -2.00 116.66 135.74 2kjz n ARG 52 Ca 0.17 0.33 0.14 0.00 -1.00 0.00 0.00 57.85 57.48 2kjz n ARG 52 Cb 0.46 -1.50 0.61 0.00 -1.05 0.00 0.00 32.46 30.97 2kjz n ARG 52 CO 0.00 0.00 0.00 -2.39 -0.01 0.00 0.00 177.63 175.23 2kjz n HIS 53 N -1.43 0.00 -0.76 2.89 1.44 -1.26 -3.85 115.22 112.25 2kjz n HIS 53 Ca 0.02 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.73 2kjz n HIS 53 Cb 0.07 -0.49 0.00 0.00 0.12 0.00 0.00 29.99 29.69 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 -1.49 0.07 -2.01 0.61 5.66 -0.85 -5.10 114.28 111.17 2kjz n THR 54 Ca 0.07 -0.16 -0.41 0.00 -3.05 0.00 0.00 64.05 60.51 2kjz n THR 54 Cb 0.33 1.50 -0.01 0.00 -1.55 0.00 0.00 70.33 70.59 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 -0.07 2.50 -0.26 1.08 0.11 -1.17 -4.97 120.40 117.61 2kjz s VAL 55 Ca 0.00 0.50 0.00 0.00 -2.93 0.00 0.00 61.98 59.55 2kjz s VAL 55 Cb 0.00 -3.31 0.07 0.00 -1.53 0.00 0.00 36.38 31.61 2kjz s VAL 55 CO 0.00 0.11 0.00 -1.61 -3.33 0.00 0.00 175.10 170.28 2kjz s GLU 56 N -1.94 1.30 0.31 1.54 2.02 -1.26 -1.85 118.70 118.82 2kjz s GLU 56 Ca 0.51 -1.04 -0.28 0.00 0.02 0.00 0.00 54.97 54.18 2kjz s GLU 56 Cb -0.42 -2.48 -0.09 0.00 0.10 0.00 0.00 34.13 31.24 2kjz s GLU 56 CO 0.56 -0.72 1.01 -1.25 0.02 0.00 0.00 175.26 174.88 2kjz s PRO 57 N 1.44 4.58 -0.24 0.39 0.05 -1.26 -5.10 135.00 134.86 2kjz s PRO 57 Ca -0.00 1.55 -0.28 0.00 0.05 0.00 0.00 61.00 62.32 2kjz s PRO 57 Cb -0.18 -2.98 -0.05 0.00 0.05 0.00 0.00 34.50 31.33 2kjz s PRO 57 CO -0.10 0.23 2.23 1.17 0.05 0.00 0.00 177.00 180.58 2kjz n LYS 58 N 0.84 1.87 -3.93 4.56 3.00 -0.77 -4.96 118.16 118.78 2kjz n LYS 58 Ca 0.01 0.50 -0.30 0.00 -0.00 0.00 0.00 58.31 58.51 2kjz n LYS 58 Cb 0.48 -3.21 -0.15 0.00 0.00 0.00 0.00 35.03 32.14 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 8.47 2.03 -0.89 3.14 0.00 -1.26 -5.07 121.76 128.17 2kjz s ALA 59 Ca 1.01 -1.54 -0.13 0.00 0.00 0.00 0.00 51.96 51.30 2kjz s ALA 59 Cb -0.36 -1.52 0.23 0.00 0.00 0.00 0.00 23.12 21.48 2kjz s ALA 59 CO 0.35 -1.31 0.85 -1.12 0.00 0.00 0.00 175.76 174.53 2kjz s SER 60 N 1.36 6.89 -0.19 0.00 0.01 -1.26 -4.83 113.70 115.68 2kjz s SER 60 Ca -0.02 -2.90 -0.26 0.00 1.31 0.00 0.00 55.95 54.08 2kjz s SER 60 Cb -0.19 -2.21 0.07 0.00 0.21 0.00 0.00 66.02 63.90 2kjz s SER 60 CO -0.09 -0.51 0.68 0.54 0.41 0.00 0.00 173.24 174.28 2kjz s VAL 61 N -0.16 0.00 0.24 3.43 0.11 -1.26 -5.19 120.40 117.57 2kjz s VAL 61 Ca 0.21 -0.01 -0.01 0.00 -2.93 0.00 0.00 61.98 59.23 2kjz s VAL 61 Cb -0.10 -0.97 0.01 0.00 -1.53 0.00 0.00 36.38 33.79 2kjz s VAL 61 CO -0.09 -0.01 0.33 0.35 -3.33 0.00 0.00 175.10 172.36 2kjz n THR 62 N 2.13 0.00 0.00 5.04 -2.24 -1.26 -4.76 114.28 113.19 2kjz n THR 62 Ca -0.16 -1.18 0.00 0.00 -2.27 0.00 0.00 64.05 60.45 2kjz n THR 62 Cb 0.56 0.73 0.00 0.00 -2.10 0.00 0.00 70.33 69.52 2kjz n THR 62 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2kjz n GLY 63 N -0.39 2.08 2.08 3.38 0.00 -0.12 -4.04 105.19 108.19 2kjz n GLY 63 Ca 0.00 -0.27 -0.24 0.00 0.00 0.00 0.00 46.02 45.52 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 4.96 2.36 -0.02 0.00 -1.26 -2.10 105.19 109.13 2kjz n GLY 64 Ca 0.00 -1.46 -0.39 0.00 0.00 0.00 0.00 46.02 44.18 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 -1.08 4.54 0.00 -0.02 0.00 -1.26 -4.85 105.19 102.53 2kjz n GLY 65 Ca 0.56 -1.68 0.00 0.00 0.00 0.00 0.00 46.02 44.90 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 2.94 -1.84 3.78 -0.02 0.00 -1.26 -4.51 105.19 104.28 2kjz n GLY 66 Ca 0.73 -1.34 -0.35 0.00 0.00 0.00 0.00 46.02 45.06 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 -4.69 3.17 -0.34 1.61 2.02 -1.26 -3.28 118.70 115.93 2kjz s GLU 67 Ca 0.00 -0.31 0.03 0.00 0.02 0.00 0.00 54.97 54.71 2kjz s GLU 67 Cb 0.00 -2.96 0.10 0.00 0.10 0.00 0.00 34.13 31.37 2kjz s GLU 67 CO 0.00 0.72 0.06 -1.17 0.02 0.00 0.00 175.26 174.89 2kjz s LEU 68 N -1.08 4.75 -0.36 1.80 2.96 0.09 -4.96 118.68 121.88 2kjz s LEU 68 Ca 0.16 -2.09 -0.22 0.00 -0.22 0.00 0.00 54.13 51.76 2kjz s LEU 68 Cb -0.12 -1.65 0.01 0.00 0.50 0.00 0.00 46.19 44.93 2kjz s LEU 68 CO 0.05 -0.39 0.70 0.00 -1.32 0.00 0.00 176.35 175.39 2kjz s ALA 69 N 0.94 3.45 -0.35 5.97 0.00 -1.26 -1.07 121.76 129.44 2kjz s ALA 69 Ca 0.09 -0.76 -0.21 0.00 0.00 0.00 0.00 51.96 51.09 2kjz s ALA 69 Cb -0.20 -3.25 0.00 0.00 0.00 0.00 0.00 23.12 19.67 2kjz s ALA 69 CO -0.07 -1.39 0.65 -0.06 0.00 0.00 0.00 175.76 174.89 2kjz s PHE 70 N 2.87 3.16 -0.14 0.00 0.40 0.29 -4.97 117.98 119.58 2kjz s PHE 70 Ca 0.27 0.40 -0.19 0.00 -0.60 0.00 0.00 56.93 56.82 2kjz s PHE 70 Cb -0.14 -3.14 -0.04 0.00 0.51 0.00 0.00 43.02 40.21 2kjz s PHE 70 CO 0.15 -0.62 0.51 1.03 0.70 0.00 0.00 175.22 177.00 2kjz s ARG 71 N 2.73 4.31 0.14 0.44 0.52 -1.26 -2.70 118.95 123.14 2kjz s ARG 71 Ca 0.25 0.48 0.05 0.00 -0.52 0.00 0.00 55.73 55.99 2kjz s ARG 71 Cb -0.14 -3.47 -0.04 0.00 0.52 0.00 0.00 34.95 31.81 2kjz s ARG 71 CO 0.15 0.06 -0.11 0.14 0.02 0.00 0.00 175.30 175.56 2kjz s VAL 72 N 0.93 1.20 0.25 3.52 -7.23 -1.25 -5.04 120.40 112.79 2kjz s VAL 72 Ca 0.26 -2.01 -0.03 0.00 -1.81 0.00 0.00 61.98 58.40 2kjz s VAL 72 Cb -0.15 -1.79 0.10 0.00 0.56 0.00 0.00 36.38 35.10 2kjz s VAL 72 CO 0.11 -0.69 1.74 1.05 -0.31 0.00 0.00 175.10 176.99 2kjz h GLU 73 N 2.89 0.81 0.00 4.82 4.11 -1.96 -3.44 114.58 121.81 2kjz h GLU 73 Ca -0.37 -0.23 0.03 0.00 0.07 0.00 0.00 59.36 58.86 2kjz h GLU 73 Cb 1.19 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 30.35 2kjz h GLU 73 CO 0.61 0.83 0.30 0.27 0.07 0.00 0.00 179.01 181.09 2kjz n ASN 74 N -4.20 -1.66 -0.03 3.06 0.23 -1.26 -4.89 115.26 106.51 2kjz n ASN 74 Ca 0.02 -2.07 0.06 0.00 -0.53 0.00 0.00 54.58 52.06 2kjz n ASN 74 Cb 0.32 2.75 0.44 0.00 -2.08 0.00 0.00 39.78 41.20 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 1.55 0.46 -0.47 0.53 2.03 -1.90 -2.17 116.42 116.44 2kjz h ASP 75 Ca -0.25 -0.01 -0.10 0.00 -0.73 0.00 0.00 57.03 55.94 2kjz h ASP 75 Cb 0.96 -0.11 -0.01 0.00 -0.83 0.00 0.00 39.33 39.34 2kjz h ASP 75 CO 0.32 0.32 -0.10 0.00 -1.03 0.00 0.00 179.24 178.75 2kjz h ALA 76 N 1.73 0.65 0.00 4.15 0.00 -1.98 -2.56 119.26 121.25 2kjz h ALA 76 Ca 0.19 -0.33 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 2kjz h ALA 76 Cb 0.08 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 2kjz h ALA 76 CO -0.05 0.54 -0.10 1.96 0.00 0.00 0.00 179.25 181.60 2kjz h GLN 77 N 0.75 0.00 -0.52 0.00 1.08 -1.82 -1.21 115.11 113.39 2kjz h GLN 77 Ca 0.12 0.00 -0.11 0.00 -1.45 0.00 0.00 58.65 57.21 2kjz h GLN 77 Cb 0.64 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.06 2kjz h GLN 77 CO 0.04 0.10 -0.12 0.28 -0.95 0.00 0.00 178.83 178.19 2kjz h VAL 78 N 0.00 1.27 -0.01 -0.54 2.07 -1.36 -2.17 116.25 115.51 2kjz h VAL 78 Ca -0.00 -1.27 -0.17 0.00 0.82 0.00 0.00 66.70 66.08 2kjz h VAL 78 Cb 0.41 1.01 -0.02 0.00 -1.52 0.00 0.00 31.29 31.18 2kjz h VAL 78 CO 0.01 0.45 -0.76 -0.78 0.02 0.00 0.00 177.57 176.51 2kjz h ASP 79 N 0.87 0.13 -0.16 0.57 3.58 -1.24 -1.04 116.42 119.13 2kjz h ASP 79 Ca 0.13 -0.09 -0.03 0.00 0.42 0.00 0.00 57.03 57.46 2kjz h ASP 79 Cb 0.68 -0.04 -0.01 0.00 1.72 0.00 0.00 39.33 41.69 2kjz h ASP 79 CO 0.05 0.84 -0.00 -0.33 -2.88 0.00 0.00 179.24 176.92 2kjz h GLU 80 N 0.06 0.28 -0.53 0.28 5.08 -1.22 -1.67 114.58 116.87 2kjz h GLU 80 Ca -0.02 -0.09 -0.04 0.00 -1.00 0.00 0.00 59.36 58.21 2kjz h GLU 80 Cb 1.34 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 30.54 2kjz h GLU 80 CO 0.11 0.51 0.17 1.15 -1.00 0.00 0.00 179.01 179.95 2kjz h THR 81 N 0.02 1.21 0.56 1.13 2.02 -1.38 -2.07 112.91 114.40 2kjz h THR 81 Ca 0.04 -0.70 -0.02 0.00 0.77 0.00 0.00 66.41 66.50 2kjz h THR 81 Cb 0.38 0.62 -0.01 0.00 -1.74 0.00 0.00 68.15 67.40 2kjz h THR 81 CO 0.01 0.27 -0.44 0.15 0.37 0.00 0.00 175.52 175.88 2kjz h PHE 82 N 0.77 -1.19 -0.28 3.16 3.57 -1.01 -2.53 116.94 119.43 2kjz h PHE 82 Ca 0.18 -0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.61 2kjz h PHE 82 Cb 0.22 0.45 -0.02 0.00 2.79 0.00 0.00 35.95 39.39 2kjz h PHE 82 CO 0.01 -0.61 -0.14 0.00 -2.23 0.00 0.00 178.31 175.34 2kjz h ALA 83 N -1.13 1.24 -0.53 2.41 0.00 -1.21 -0.90 119.26 119.15 2kjz h ALA 83 Ca -0.07 -0.27 -0.10 0.00 0.00 0.00 0.00 54.91 54.46 2kjz h ALA 83 Cb 0.80 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 2kjz h ALA 83 CO 0.01 0.49 -0.07 0.78 0.00 0.00 0.00 179.25 180.47 2kjz h GLY 84 N 0.93 1.06 1.10 0.00 0.00 -1.41 -1.22 103.07 103.52 2kjz h GLY 84 Ca 0.08 -0.83 -0.11 0.00 0.00 0.00 0.00 47.33 46.47 2kjz h GLY 84 CO 0.03 0.76 -0.05 1.49 0.00 0.00 0.00 176.54 178.77 2kjz h TRP 85 N 0.84 1.18 -0.74 5.60 4.06 -1.05 -1.70 115.95 124.15 2kjz h TRP 85 Ca 0.14 -0.22 0.00 0.00 2.06 0.00 0.00 58.89 60.87 2kjz h TRP 85 Cb 0.62 -0.30 -0.04 0.00 -1.00 0.00 0.00 29.16 28.45 2kjz h TRP 85 CO 0.04 1.05 0.47 -0.22 -3.56 0.00 0.00 178.44 176.23 2kjz h LYS 86 N 0.96 0.98 0.00 0.49 3.64 -1.03 -1.22 116.57 120.39 2kjz h LYS 86 Ca 0.16 -0.07 -0.07 0.00 -1.27 0.00 0.00 60.65 59.40 2kjz h LYS 86 Cb 0.62 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 32.21 2kjz h LYS 86 CO 0.04 0.67 -0.35 0.00 -2.27 0.00 0.00 179.45 177.54 2kjz h ALA 87 N 1.25 1.16 -0.43 5.00 0.00 -1.12 -3.11 119.26 122.00 2kjz h ALA 87 Ca 0.27 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2kjz h ALA 87 Cb -0.08 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.65 2kjz h ALA 87 CO -0.05 0.43 0.00 0.45 0.00 0.00 0.00 179.25 180.08 2kjz n SER 88 N -3.74 2.95 -1.36 0.00 2.88 -0.61 -4.97 113.62 108.78 2kjz n SER 88 Ca -0.01 -1.94 -0.02 0.00 -1.33 0.00 0.00 58.87 55.57 2kjz n SER 88 Cb 0.44 -0.29 0.01 0.00 -0.75 0.00 0.00 64.21 63.62 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 1.40 0.38 3.77 0.46 0.00 -0.56 -5.02 105.19 105.62 2kjz n GLY 89 Ca 0.19 -0.38 -0.36 0.00 0.00 0.00 0.00 46.02 45.47 2kjz n GLY 89 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2kjz s VAL 90 N -3.04 5.03 0.17 1.61 1.01 -0.85 -4.75 120.40 119.58 2kjz s VAL 90 Ca 0.01 0.03 -0.13 0.00 0.00 0.00 0.00 61.98 61.89 2kjz s VAL 90 Cb -0.00 -3.19 0.07 0.00 0.00 0.00 0.00 36.38 33.26 2kjz s VAL 90 CO 0.09 0.58 1.80 0.00 0.00 0.00 0.00 175.10 177.57 2kjz h ALA 91 N 5.42 0.72 -5.93 5.51 0.00 -1.23 -3.44 119.26 120.31 2kjz h ALA 91 Ca -0.50 -0.08 -0.15 0.00 0.00 0.00 0.00 54.91 54.18 2kjz h ALA 91 Cb 1.20 -0.23 0.01 0.00 0.00 0.00 0.00 17.79 18.77 2kjz h ALA 91 CO 0.60 0.21 -0.92 0.00 0.00 0.00 0.00 179.25 179.13 2kjz n MET 92 N -4.64 -2.03 -3.77 0.00 3.85 -1.13 -4.83 117.12 104.56 2kjz n MET 92 Ca 0.03 1.74 -0.34 0.00 -1.00 0.00 0.00 57.70 58.13 2kjz n MET 92 Cb 0.06 -3.51 -0.10 0.00 -1.05 0.00 0.00 33.22 28.63 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 -2.16 5.08 0.00 3.17 -0.00 -1.24 -4.87 118.68 118.65 2kjz s LEU 93 Ca 0.23 -3.27 0.00 0.00 -0.00 0.00 0.00 54.13 51.08 2kjz s LEU 93 Cb -0.04 -1.79 0.00 0.00 -0.00 0.00 0.00 46.19 44.36 2kjz s LEU 93 CO 0.69 -0.25 0.00 1.67 -0.00 0.00 0.00 176.35 178.46 2kjz n GLN 94 N 2.87 0.00 -2.08 1.48 -0.06 -1.21 -4.84 117.38 113.54 2kjz n GLN 94 Ca 0.13 0.00 -0.42 0.00 -2.00 0.00 0.00 57.00 54.70 2kjz n GLN 94 Cb 0.36 0.00 -0.03 0.00 -4.06 0.00 0.00 30.24 26.51 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 0.00 4.23 -0.68 3.69 -0.21 -1.26 -4.21 119.66 121.21 2kjz s GLN 95 Ca 0.00 2.14 -0.26 0.00 0.02 0.00 0.00 55.36 57.26 2kjz s GLN 95 Cb 0.00 -3.64 -0.13 0.00 1.00 0.00 0.00 33.01 30.24 2kjz s GLN 95 CO 0.00 -0.68 2.46 -2.30 -2.12 0.00 0.00 175.29 172.65 2kjz n PRO 96 N 5.71 0.67 -4.36 2.91 -0.02 -1.26 -4.78 135.00 133.87 2kjz n PRO 96 Ca 0.15 -0.16 -0.31 0.00 -2.02 0.00 0.00 63.50 61.16 2kjz n PRO 96 Cb 0.42 -2.93 -0.10 0.00 -0.02 0.00 0.00 33.50 30.86 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 11.26 2.93 -0.69 3.55 0.00 -0.61 -4.92 121.76 133.27 2kjz s ALA 97 Ca 1.07 -1.16 -0.26 0.00 0.00 0.00 0.00 51.96 51.61 2kjz s ALA 97 Cb -0.43 -0.95 -0.01 0.00 0.00 0.00 0.00 23.12 21.72 2kjz s ALA 97 CO 0.30 0.63 1.71 0.21 0.00 0.00 0.00 175.76 178.61 2kjz s LYS 98 N -1.85 2.79 0.53 0.00 2.36 -1.26 -1.39 119.74 120.92 2kjz s LYS 98 Ca 0.19 0.24 -0.02 0.00 -2.55 0.00 0.00 55.97 53.83 2kjz s LYS 98 Cb -0.11 -4.45 0.01 0.00 -1.05 0.00 0.00 37.83 32.23 2kjz s LYS 98 CO 0.11 -2.64 0.79 1.41 1.55 0.00 0.00 175.35 176.56 2kjz s MET 99 N 6.64 2.82 0.25 4.03 -2.45 -0.40 -4.92 119.30 125.27 2kjz s MET 99 Ca 0.59 -0.42 -0.05 0.00 -1.25 0.00 0.00 55.69 54.57 2kjz s MET 99 Cb -0.10 -2.43 0.35 0.00 1.25 0.00 0.00 34.83 33.89 2kjz s MET 99 CO 0.16 -0.57 1.86 0.93 1.05 0.00 0.00 175.02 178.45 2kjz h GLU 100 N 0.08 1.02 0.00 4.11 5.08 -1.98 -0.93 114.58 121.96 2kjz h GLU 100 Ca -0.45 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 57.85 2kjz h GLU 100 Cb 1.27 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 30.29 2kjz h GLU 100 CO 0.57 0.68 -0.10 0.74 -1.00 0.00 0.00 179.01 179.89 2kjz h PHE 101 N 1.05 0.00 0.00 4.33 0.04 -1.95 -3.46 116.94 116.95 2kjz h PHE 101 Ca 0.39 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.16 2kjz h PHE 101 Cb 0.15 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.30 2kjz h PHE 101 CO -0.02 0.00 0.00 0.41 -0.60 0.00 0.00 178.31 178.10 2kjz n GLY 102 N 1.29 0.53 3.58 -1.45 0.00 -0.35 -1.83 105.19 106.95 2kjz n GLY 102 Ca 0.05 -1.73 -0.42 0.00 0.00 0.00 0.00 46.02 43.92 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 -1.37 2.44 0.19 1.61 6.14 0.16 -1.27 117.35 125.25 2kjz s TYR 103 Ca 0.00 0.44 0.10 0.00 0.64 0.00 0.00 57.07 58.26 2kjz s TYR 103 Cb 0.00 -4.45 -0.04 0.00 0.42 0.00 0.00 41.96 37.88 2kjz s TYR 103 CO 0.00 -1.80 -0.21 -0.08 0.64 0.00 0.00 175.55 174.10 2kjz s THR 104 N 5.51 2.16 0.02 4.34 -1.32 -0.49 -0.47 115.64 125.39 2kjz s THR 104 Ca 0.48 -2.05 -0.02 0.00 -1.21 0.00 0.00 61.69 58.89 2kjz s THR 104 Cb -0.09 -2.04 -0.02 0.00 -1.51 0.00 0.00 72.50 68.84 2kjz s THR 104 CO 0.25 -0.24 0.01 0.12 -2.21 0.00 0.00 174.62 172.56 2kjz s PHE 105 N -1.95 0.21 -0.02 9.09 5.36 0.08 -1.58 117.98 129.17 2kjz s PHE 105 Ca 0.20 -0.45 0.01 0.00 -0.96 0.00 0.00 56.93 55.74 2kjz s PHE 105 Cb -0.07 -0.16 0.01 0.00 -0.34 0.00 0.00 43.02 42.47 2kjz s PHE 105 CO 0.09 -0.22 -0.03 0.99 -1.46 0.00 0.00 175.22 174.59 2kjz s THR 106 N -1.52 0.37 0.44 0.12 2.01 -1.26 -0.99 115.64 114.81 2kjz s THR 106 Ca -0.15 -0.09 0.08 0.00 0.31 0.00 0.00 61.69 61.83 2kjz s THR 106 Cb -0.09 -0.39 -0.01 0.00 0.01 0.00 0.00 72.50 72.03 2kjz s THR 106 CO -0.01 0.16 0.43 0.00 -0.69 0.00 0.00 174.62 174.51 2kjz s ALA 107 N 0.55 4.20 -0.05 7.40 0.00 -0.09 -3.29 121.76 130.48 2kjz s ALA 107 Ca -0.06 -1.82 0.00 0.00 0.00 0.00 0.00 51.96 50.08 2kjz s ALA 107 Cb -0.10 -1.11 0.02 0.00 0.00 0.00 0.00 23.12 21.94 2kjz s ALA 107 CO -0.00 -0.29 -0.03 0.00 0.00 0.00 0.00 175.76 175.43 2kjz s ALA 108 N -2.49 0.71 1.22 0.00 0.00 -1.26 -2.35 121.76 117.60 2kjz s ALA 108 Ca 0.49 -0.10 -0.16 0.00 0.00 0.00 0.00 51.96 52.19 2kjz s ALA 108 Cb -0.04 -0.53 0.30 0.00 0.00 0.00 0.00 23.12 22.85 2kjz s ALA 108 CO 0.29 -0.15 1.01 -0.51 0.00 0.00 0.00 175.76 176.40 2kjz s ASP 109 N 1.23 0.56 0.38 0.00 1.11 -1.26 -0.85 116.67 117.84 2kjz s ASP 109 Ca -0.06 1.23 0.09 0.00 0.18 0.00 0.00 52.55 53.99 2kjz s ASP 109 Cb -0.14 -1.88 0.85 0.00 1.07 0.00 0.00 42.92 42.83 2kjz s ASP 109 CO -0.02 -4.42 1.94 -0.65 1.18 0.00 0.00 175.17 173.21 2kjz h PRO 110 N -2.77 0.61 0.00 8.23 0.11 -1.98 -1.68 132.00 134.53 2kjz h PRO 110 Ca -0.56 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.51 2kjz h PRO 110 Cb 1.34 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.31 2kjz h PRO 110 CO 0.45 0.40 -0.17 -0.44 -0.21 0.00 0.00 178.00 178.04 2kjz h ASP 111 N 0.63 0.00 -4.16 -2.05 5.19 -1.97 -3.50 116.42 110.56 2kjz h ASP 111 Ca 0.34 -0.01 0.00 0.00 -0.62 0.00 0.00 57.03 56.74 2kjz h ASP 111 Cb 0.48 0.00 -0.07 0.00 0.18 0.00 0.00 39.33 39.93 2kjz h ASP 111 CO -0.12 0.01 -0.91 -1.20 -3.12 0.00 0.00 179.24 173.90 2kjz n SER 112 N -2.81 -1.88 -4.34 6.45 7.64 -0.63 -4.61 113.62 113.45 2kjz n SER 112 Ca 0.04 0.86 -0.26 0.00 1.01 0.00 0.00 58.87 60.52 2kjz n SER 112 Cb 0.51 -3.56 -0.09 0.00 -1.01 0.00 0.00 64.21 60.06 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 -0.39 1.87 -0.72 1.43 3.76 -1.26 -0.94 115.29 119.04 2kjz s HIS 113 Ca -0.15 -1.12 -0.17 0.00 -0.15 0.00 0.00 55.06 53.47 2kjz s HIS 113 Cb 0.01 -1.30 0.15 0.00 1.11 0.00 0.00 32.58 32.55 2kjz s HIS 113 CO 0.40 -0.10 0.77 0.50 -0.85 0.00 0.00 174.74 175.46 2kjz s ARG 114 N -3.79 3.31 -0.51 1.40 6.06 -0.89 -4.00 118.95 120.54 2kjz s ARG 114 Ca 0.24 -1.82 -0.18 0.00 -2.50 0.00 0.00 55.73 51.47 2kjz s ARG 114 Cb 0.04 -4.44 0.07 0.00 0.06 0.00 0.00 34.95 30.68 2kjz s ARG 114 CO 0.13 -1.47 0.59 -0.51 -2.50 0.00 0.00 175.30 171.53 2kjz s LEU 115 N 1.73 5.20 0.20 -0.88 1.43 -0.99 -0.73 118.68 124.62 2kjz s LEU 115 Ca 0.16 -1.10 -0.20 0.00 -1.03 0.00 0.00 54.13 51.96 2kjz s LEU 115 Cb -0.17 -2.37 -0.08 0.00 0.03 0.00 0.00 46.19 43.60 2kjz s LEU 115 CO -0.02 -0.88 0.70 -0.13 0.23 0.00 0.00 176.35 176.26 2kjz s ARG 116 N 2.42 4.27 -0.17 1.70 1.81 -0.23 -0.91 118.95 127.83 2kjz s ARG 116 Ca 0.12 0.87 -0.03 0.00 -1.72 0.00 0.00 55.73 54.96 2kjz s ARG 116 Cb -0.21 -2.97 0.06 0.00 -0.45 0.00 0.00 34.95 31.38 2kjz s ARG 116 CO 0.10 0.45 0.05 0.08 -0.68 0.00 0.00 175.30 175.29 2kjz s VAL 117 N -1.43 0.31 0.36 3.52 1.01 -0.16 -0.55 120.40 123.46 2kjz s VAL 117 Ca 0.40 -0.35 0.08 0.00 0.00 0.00 0.00 61.98 62.12 2kjz s VAL 117 Cb -0.18 -0.82 -0.07 0.00 0.00 0.00 0.00 36.38 35.31 2kjz s VAL 117 CO 0.21 -0.18 -0.04 -0.72 0.00 0.00 0.00 175.10 174.37 2kjz s TYR 118 N 1.96 2.39 -0.17 5.22 1.13 -1.10 -0.74 117.35 126.05 2kjz s TYR 118 Ca 0.01 -0.60 -0.04 0.00 -1.41 0.00 0.00 57.07 55.03 2kjz s TYR 118 Cb -0.16 -1.51 0.06 0.00 -1.10 0.00 0.00 41.96 39.24 2kjz s TYR 118 CO -0.08 0.48 0.06 0.00 -2.51 0.00 0.00 175.55 173.50 2kjz s ALA 119 N -2.71 0.70 -0.26 9.51 0.00 0.38 -3.75 121.76 125.62 2kjz s ALA 119 Ca 0.33 -0.46 -0.29 0.00 0.00 0.00 0.00 51.96 51.55 2kjz s ALA 119 Cb 0.06 -1.07 0.00 0.00 0.00 0.00 0.00 23.12 22.11 2kjz s ALA 119 CO 0.17 -1.11 1.24 0.12 0.00 0.00 0.00 175.76 176.17 2kjz s PHE 120 N 2.00 2.85 -0.71 0.00 5.36 -1.26 -0.67 117.98 125.56 2kjz s PHE 120 Ca 0.01 1.00 -0.17 0.00 -0.96 0.00 0.00 56.93 56.81 2kjz s PHE 120 Cb -0.16 -3.72 0.15 0.00 -0.34 0.00 0.00 43.02 38.94 2kjz s PHE 120 CO -0.08 -1.47 0.76 0.00 -1.46 0.00 0.00 175.22 172.97 2kjz s ALA 121 N 3.95 3.64 0.00 11.12 0.00 -0.76 -4.94 121.76 134.76 2kjz s ALA 121 Ca 0.53 -2.68 0.00 0.00 0.00 0.00 0.00 51.96 49.81 2kjz s ALA 121 Cb -0.17 -3.57 0.00 0.00 0.00 0.00 0.00 23.12 19.38 2kjz s ALA 121 CO 0.18 -2.38 0.00 0.41 0.00 0.00 0.00 175.76 173.97